#DEFINITION	Reference Metabolome for Manihot esculenta
#IDENTTFIER	RefMeta-Manihot esculenta.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Manihot esculenta
#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 Manihot esculenta was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.6562
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07292	3.0
72.57296	0.1
81.06982	0.2
83.08535	0.2
86.09629	34.0
87.09970	0.8
95.08585	0.2
98.98397	2.7
104.10686	2.8
124.99969	22.8
143.01059	0.6
146.98192	0.2
175.39896	0.2
181.07120	0.1
184.07312	100.0
185.07649	1.8
339.28705	0.1
504.34378	1.7
522.35498	18.7
523.35663	1.6
595.17548	0.2
614.96655	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.6188
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06505	1.8
71.07287	7.2
76.17369	1.0
79.05467	0.9
81.06950	1.6
86.09624	61.7
95.08520	2.0
98.98384	3.8
104.10676	88.3
124.99950	40.8
154.65047	0.9
173.02614	0.9
184.07292	100.0
224.58760	1.1
326.88409	1.5
331.94547	1.0
337.27527	1.0
368.61832	1.0
502.32715	8.1
503.63449	1.2
520.33850	71.3
521.34033	1.6
550.90564	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1014.5706
Annotation	Unknow
Peak:m/z	Relative Intensity
71.95170	0.5
72.08067	2.7
84.04429	1.0
84.08064	5.5
86.09644	2.1
87.05515	0.2
87.12010	0.2
91.05399	1.2
94.04105	1.1
96.75338	0.2
98.97502	22.4
101.07058	0.4
102.05506	0.3
103.05391	0.3
110.07108	1.0
115.08676	0.2
116.98566	41.9
120.08058	2.4
122.03615	3.1
129.10199	2.9
134.99625	53.2
136.07506	1.9
137.05951	41.7
137.81967	0.2
138.06274	1.0
140.00153	1.3
141.10312	0.3
153.00685	13.7
158.01205	2.4
160.99097	0.3
176.02338	0.3
185.09120	0.3
197.01160	3.0
198.01956	1.2
199.02650	0.3
211.02769	1.1
215.02240	1.2
216.03026	0.4
220.00467	1.2
224.09509	1.5
226.11093	15.1
227.09373	0.3
229.03720	0.2
235.02718	31.4
236.03024	0.9
238.01443	3.8
241.03749	0.5
242.10574	1.5
244.12167	13.3
253.03778	98.5
254.04207	2.4
267.05252	0.3
267.13736	0.3
268.12173	3.0
271.04855	7.6
271.07721	0.3
276.05374	6.1
280.12018	1.3
286.13217	0.4
298.13321	0.4
329.13156	1.7
344.15271	5.6
347.14032	0.4
355.36758	0.2
362.16254	3.3
385.18115	0.3
404.17361	100.0
405.17639	4.7
422.18588	0.4
445.20117	0.3
709.37262	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1028.7069
Annotation	Unknow
Peak:m/z	Relative Intensity
76.07381	3.0
79.05402	18.2
81.06979	58.3
81.99641	2.9
83.08537	46.8
85.02808	4.4
85.10110	32.3
93.06973	18.9
95.08530	72.0
97.06448	11.8
97.10110	30.0
107.08527	13.8
109.10114	29.9
111.11668	6.8
121.10122	27.9
123.11629	14.0
135.11650	28.4
137.13193	3.4
144.00987	3.0
149.13219	6.7
179.18114	3.9
239.23579	22.7
247.24167	24.2
257.24661	11.8
265.25223	41.3
283.26129	4.6
313.27322	100.0
331.28391	78.2
339.28922	50.6
357.29916	52.3
411.63577	3.6
434.32373	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	103.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01517	0.1
51.02324	1.0
53.03888	6.6
54.00919	0.1
55.01814	0.3
56.96505	2.5
57.03369	2.3
58.06534	0.2
58.07645	0.1
58.96108	0.2
60.08087	0.8
60.95787	0.2
68.04957	0.1
68.55595	0.1
69.03347	0.7
71.02906	0.2
75.04402	0.2
76.51511	0.6
77.03839	1.2
78.21617	0.1
79.01772	0.2
81.03336	0.6
85.02824	3.4
86.03163	0.7
86.05988	1.9
87.04397	3.5
88.02293	0.9
88.52470	0.5
94.29195	0.1
95.04892	25.3
96.05251	0.2
102.04613	2.5
103.03929	9.5
103.05400	100.0
104.05733	1.8
104.07008	0.2
104.10672	4.1
105.04447	4.6
105.05098	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.6634
Annotation	Unknow
Peak:m/z	Relative Intensity
76.85370	0.6
113.96262	0.6
344.57117	0.6
515.31799	100.0
516.32062	3.1
541.33356	55.3
542.33875	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1068
Annotation	Choline chloride
Peak:m/z	Relative Intensity
56.10209	0.0
58.06525	1.6
59.07311	0.5
60.08092	17.5
61.08431	0.1
68.04949	0.4
69.03346	3.9
86.05444	0.1
86.05985	3.7
87.04388	14.3
88.04730	0.3
91.61722	0.1
92.10418	0.1
104.07066	0.9
104.10673	100.0
105.05416	0.1
105.10349	0.1
105.11005	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1053.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
78.52687	2.3
122.82009	2.1
132.66873	2.0
196.66745	2.7
203.06813	10.4
205.04697	76.7
213.08859	4.5
216.07567	14.5
229.08368	4.4
285.10867	2.6
313.27243	3.8
323.81375	2.9
409.16315	4.1
423.13953	5.1
425.15457	11.6
437.15442	10.4
438.16412	46.3
439.17310	19.8
472.13568	2.4
635.24756	18.6
636.25079	8.4
647.24432	18.9
663.27185	12.3
671.60052	2.7
844.17389	3.6
844.32440	74.0
845.34094	19.9
1053.40662	100.0
1054.39099	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	1055.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
156.64511	1.1
158.94403	1.3
161.01181	1.4
176.04460	1.3
194.12341	1.4
204.04034	1.4
205.04695	28.5
213.08841	1.7
216.07664	4.4
229.08424	4.6
232.07121	2.5
233.07799	4.1
263.15967	1.0
273.10843	1.3
426.16516	11.9
427.17355	6.4
437.15591	1.2
438.16708	11.1
443.16949	6.4
454.19403	1.2
474.15067	1.9
506.13736	1.2
538.30774	6.7
539.30939	6.1
540.31250	2.1
621.29510	1.2
631.25287	4.4
637.26538	1.5
649.26038	76.8
650.26196	9.0
663.27875	1.5
665.29822	2.3
722.94049	1.3
846.34351	23.6
847.35388	4.7
1055.42139	100.0
1056.42822	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	1055.6489
Annotation	Unknow
Peak:m/z	Relative Intensity
75.05222	0.3
77.90149	0.3
77.96812	0.3
79.05463	0.3
81.06950	0.6
83.08530	0.4
86.09633	5.8
91.05406	0.7
93.06973	0.8
95.08513	0.7
98.97543	0.3
98.98379	0.3
104.10682	4.5
105.06973	0.3
107.08524	0.6
109.10092	0.5
119.04910	1.8
119.08546	1.4
121.10075	2.4
124.99944	3.5
133.10124	0.7
135.11674	1.4
146.98245	0.5
147.04382	5.5
159.11679	0.4
161.13141	0.4
175.14845	0.3
177.00743	0.5
184.07303	9.2
187.14720	0.4
198.08870	0.4
201.00119	0.4
203.05156	0.7
203.17918	0.7
206.12445	0.3
229.19505	1.3
240.09886	0.4
337.20590	0.5
379.31503	0.3
409.34204	0.7
427.36160	0.4
455.35217	1.4
538.81897	4.0
539.31799	100.0
540.32166	5.5
544.33728	0.4
601.39398	0.5
909.98553	0.4
1055.17444	1.6
1055.68347	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.4388
Annotation	Unknow
Peak:m/z	Relative Intensity
74.18864	0.5
86.09727	0.6
89.90461	0.5
104.65840	0.6
104.66669	0.6
127.06262	0.6
176.04495	1.3
203.06805	1.1
205.04698	32.2
206.05190	0.9
213.08980	1.4
216.07574	7.1
229.08447	1.1
232.06970	2.0
233.07829	7.1
313.27393	0.8
317.97928	0.7
411.14130	0.6
426.16800	3.2
427.17151	4.2
438.16205	5.4
439.17368	2.8
443.17239	0.8
649.26044	30.1
650.26807	1.1
678.86139	0.7
847.35107	0.8
1057.43774	100.0
1058.43774	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	1060.6664
Annotation	Unknow
Peak:m/z	Relative Intensity
76.56612	0.3
79.05423	4.2
81.06973	9.1
83.04883	0.3
83.08543	10.1
85.10100	1.5
86.09626	39.5
86.89780	0.3
87.09949	0.3
90.17984	0.2
93.06969	6.3
95.08534	9.8
97.06451	1.7
97.10094	6.5
98.98407	0.4
102.18170	0.3
104.10678	15.2
105.10982	0.5
107.08533	2.8
109.10104	4.3
111.08049	1.1
111.11702	1.9
116.12668	0.3
121.10098	5.6
123.11636	1.4
124.99927	3.0
125.09570	1.1
125.13253	0.3
135.11644	3.5
139.11136	0.6
142.87665	0.3
146.98161	51.8
149.01065	0.3
149.13269	2.4
153.12697	0.3
163.14833	0.5
164.99202	2.4
172.95184	1.1
177.16409	0.3
181.02563	1.1
181.15773	0.3
183.97389	0.3
184.07288	4.9
188.00826	0.4
190.96260	0.6
198.96738	2.2
205.78368	0.3
215.23460	0.3
216.97896	2.4
228.97899	0.5
240.09996	2.8
247.24126	0.6
254.28142	0.2
265.25253	1.1
271.46191	0.3
278.93295	0.5
296.19632	0.3
322.96094	0.4
339.22122	1.2
339.28870	26.8
340.29327	1.4
361.27155	0.6
475.21240	1.4
485.26276	28.3
486.26654	0.5
503.04492	0.3
504.34723	0.4
541.32642	4.1
541.83173	2.5
542.33392	1.2
544.33661	100.0
545.33813	4.7
653.95050	0.3
782.51440	0.3
801.85352	0.3
802.00232	7.4
802.50385	7.3
803.00763	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	1060.6656
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05410	0.3
81.06965	2.7
81.84248	0.2
83.08539	2.5
84.08000	0.2
86.09622	25.4
87.09969	0.3
93.06967	1.7
95.08530	2.5
97.06458	0.2
97.10092	2.0
98.98370	0.2
104.10674	100.0
105.06936	0.2
105.11005	2.0
107.08533	0.7
109.10114	1.1
111.11656	0.3
121.10104	1.6
124.99975	0.8
129.65341	0.2
132.79333	0.2
135.11665	1.1
146.81068	0.2
146.98149	20.0
149.13202	0.3
152.59029	0.2
164.99251	1.1
172.95212	0.4
176.99232	1.2
184.07379	1.1
188.00833	0.2
190.96385	0.4
198.96785	0.6
202.85414	0.2
216.97894	1.0
228.97948	0.2
234.84967	0.2
247.24228	0.2
265.25183	0.3
326.06436	0.2
339.22415	0.4
339.28864	11.2
340.29187	0.2
361.27020	0.3
441.23883	1.5
475.21011	0.2
485.26263	42.6
486.26950	1.8
532.14594	0.2
541.32642	1.3
541.82983	0.4
542.32690	0.4
544.33618	76.3
545.33905	3.5
751.14819	0.2
802.00232	1.5
802.50128	1.2
1023.02991	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.308
Annotation	Unknow
Peak:m/z	Relative Intensity
94.10509	0.5
96.94129	0.4
101.15406	0.4
105.31818	0.4
112.77876	0.4
137.83511	0.4
175.59065	0.4
225.17523	0.4
254.36906	0.4
370.09177	0.4
381.07855	100.0
382.08197	2.2
514.79907	0.5
927.53729	0.6
930.78766	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.6322
Annotation	Unknow
Peak:m/z	Relative Intensity
81.06969	16.9
83.08534	13.4
85.02827	7.0
85.10102	21.5
89.05940	1.2
91.03889	6.5
91.05485	0.9
92.10891	2.2
93.06961	1.2
95.08530	30.9
97.02811	2.0
97.10114	8.5
98.98389	25.0
99.11642	0.9
103.07560	0.9
109.10112	14.5
111.11671	1.2
123.11642	6.0
125.13245	1.4
137.13199	4.4
143.19713	0.8
145.04958	1.9
155.01016	24.5
163.06013	4.2
199.10583	1.0
221.22632	1.7
239.23636	17.2
257.24725	5.4
313.27298	100.0
314.27670	3.7
331.28351	44.1
332.28442	1.5
343.42752	1.0
369.10861	1.1
393.23917	29.6
475.32327	1.1
659.10248	1.1
758.65912	1.1
767.63287	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.6472
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05414	21.9
79.25444	0.7
81.03329	2.9
81.06976	66.7
83.04893	1.0
83.08539	58.1
85.02830	15.0
85.06452	1.4
85.09625	1.3
85.10107	22.8
89.05978	0.9
91.03882	14.0
91.05407	1.7
93.06975	32.4
95.04920	1.1
95.08533	72.9
97.02264	1.1
97.02822	9.1
97.06452	8.5
97.10099	38.9
98.98400	68.7
99.08017	3.7
107.08531	20.2
109.02828	1.1
109.10108	38.6
111.08014	7.1
111.11668	10.6
116.99469	1.6
121.10098	49.0
123.11659	12.8
125.09621	3.0
125.13197	2.7
127.03866	3.6
135.11661	35.1
135.12679	1.6
137.13211	4.6
139.11148	3.4
141.05569	0.8
145.04910	3.9
149.13249	15.8
151.14790	5.7
153.12743	2.8
155.01018	69.2
161.60390	0.8
163.05981	5.8
163.14751	7.6
165.16364	3.9
173.01999	2.6
176.20773	0.7
177.16318	1.7
181.15947	0.8
190.42940	0.7
191.17926	1.8
221.22467	1.1
226.74089	0.8
236.33899	0.8
239.23618	8.2
247.24161	31.9
257.24561	1.6
265.25201	65.2
266.25409	1.5
283.26242	15.7
313.27316	74.3
314.27493	1.7
321.21246	0.9
331.28378	2.8
339.28885	100.0
340.29138	4.5
357.29932	64.5
357.33621	1.1
358.30179	1.0
393.23923	81.3
394.24106	1.4
483.32861	1.8
501.33975	14.5
566.28888	0.8
609.77625	0.8
663.38885	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	110.0599
Annotation	NICOTINYL
Peak:m/z	Relative Intensity
58.69677	0.1
59.07201	0.1
59.81200	0.1
65.03849	0.3
67.55924	0.1
80.04922	6.1
82.06506	0.2
83.05985	0.1
92.04929	1.4
93.05711	4.5
103.30658	0.1
110.05983	100.0
111.05620	0.2
111.06300	1.7
111.09184	0.2
120.64917	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	1109.6019
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05408	59.4
81.06976	100.0
83.08533	9.9
84.04420	6.9
84.07604	2.5
84.08072	47.8
85.02826	13.8
86.09639	16.8
91.03874	14.1
91.05415	45.5
93.06976	84.2
94.82574	1.9
95.04868	9.8
95.07970	3.6
95.08538	78.4
97.02806	3.4
97.06465	2.8
97.10114	3.9
98.98402	37.8
99.08000	3.2
102.70060	1.7
103.05445	2.9
105.06979	29.3
107.07873	2.7
107.08545	53.7
109.10120	38.2
110.07136	7.4
117.06963	11.4
119.08538	28.0
120.08060	23.1
121.09330	2.5
121.10113	44.1
123.08034	2.2
123.11661	16.8
127.03855	3.7
129.10219	27.9
131.08553	24.7
132.47621	2.3
133.10092	20.3
134.97922	1.7
135.11662	37.1
136.07559	15.9
137.09544	2.1
137.13219	4.2
138.12772	1.8
145.05032	2.5
145.10132	26.0
147.11656	16.4
149.09537	1.8
149.13251	24.5
155.00983	3.4
159.11679	13.4
161.13174	13.3
163.05992	6.5
163.14761	12.4
173.02113	2.4
173.13249	14.3
175.14828	2.8
177.16397	6.9
185.09219	2.2
187.14734	10.3
192.25926	1.7
199.07005	1.8
203.18187	2.3
203.38615	2.1
212.10162	2.3
215.17830	3.0
221.12782	2.2
224.17360	1.8
230.07805	2.1
233.09521	1.9
233.22731	3.4
236.25992	1.9
243.21056	30.3
261.22092	83.8
270.14685	2.0
317.24564	2.3
335.25745	92.0
353.22467	2.4
353.26810	54.8
466.36038	1.9
497.30957	8.3
532.06012	2.1
693.69507	2.3
724.47168	2.1
805.10791	2.0
858.85687	2.2
1034.86230	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	1113.6316
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05408	26.1
79.61849	0.3
81.03339	0.8
81.06976	100.0
82.07318	0.6
82.45323	0.3
83.04900	2.2
83.08539	20.3
84.08089	1.9
85.02827	12.8
85.06450	2.4
85.10109	2.1
86.09637	1.5
91.03883	10.4
91.04826	0.5
91.05407	18.9
93.06975	30.7
95.04903	2.8
95.08535	90.8
96.08879	0.3
97.02829	5.8
97.06462	9.3
97.10103	13.2
98.98398	36.0
99.04417	0.4
99.08012	3.0
101.02315	0.5
105.04458	0.5
105.06273	0.5
105.06977	15.3
107.08540	20.4
109.06433	0.8
109.10109	46.7
110.10474	0.3
111.08037	4.0
111.11681	3.0
113.09580	2.6
115.03856	0.4
116.99438	2.6
119.08539	15.8
120.08041	0.8
121.10101	23.3
121.69791	0.3
123.08023	1.8
123.11662	20.7
124.12012	0.3
125.09602	1.5
125.13201	0.6
127.03886	3.4
127.11189	0.5
129.10194	1.3
131.08524	0.6
133.10103	20.5
134.10399	0.3
135.11665	12.3
137.09627	2.7
137.13226	8.8
137.32272	0.3
139.11163	1.9
141.12756	1.7
145.04895	3.8
147.11664	12.2
149.13237	10.9
151.11180	2.1
151.14780	5.9
153.12691	0.6
154.05202	0.3
155.01018	15.7
155.14255	2.3
161.13228	15.3
162.13623	0.4
163.05991	5.8
163.14784	10.6
165.12691	0.7
165.16350	6.0
167.14272	1.5
173.02080	3.7
175.14772	11.1
177.16359	2.0
179.14287	0.6
179.17924	4.4
181.15874	0.8
189.16330	4.1
191.17987	0.4
193.15822	0.7
203.17969	2.6
207.17424	0.8
215.60208	0.4
217.19516	0.7
219.21016	0.4
221.18872	0.4
245.22595	48.6
246.22899	1.6
255.85391	0.4
263.23651	82.2
264.23914	2.8
265.25146	1.9
281.24741	1.9
304.62070	0.3
337.27307	95.1
338.27728	4.4
339.28961	1.3
355.28397	12.2
406.08740	0.3
417.23959	6.6
435.25104	0.6
445.29572	0.5
481.31381	0.5
499.32507	4.1
537.30072	4.8
538.30585	0.5
661.37427	1.7
951.47913	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1113.6327
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05405	21.9
81.03331	0.9
81.06973	72.1
82.07294	0.9
83.04895	1.4
83.08536	16.9
84.08045	1.4
85.02819	9.4
85.06476	1.4
85.10102	1.8
86.09604	0.7
91.03870	5.8
91.05409	14.3
93.06438	1.4
93.06970	24.8
95.04867	3.0
95.08533	66.7
97.02812	4.7
97.06442	4.7
97.10085	10.7
98.98396	30.5
99.08012	3.4
105.06979	12.0
107.08547	13.4
109.09399	1.3
109.10107	30.9
111.08013	1.1
111.11691	1.5
113.09550	1.5
115.03827	0.9
119.08537	13.4
121.10106	18.5
123.08037	1.2
123.11652	14.0
125.09541	1.0
127.03874	1.8
133.10081	14.8
135.11659	6.8
137.09589	1.4
137.13254	6.3
145.04933	1.4
147.11664	9.9
149.13246	6.9
151.14748	2.5
155.00998	10.2
155.14282	0.8
161.13211	10.0
163.05943	1.2
163.14783	6.5
165.16331	3.7
173.02090	1.2
175.14784	8.0
177.16293	1.3
179.17914	1.4
187.56596	0.8
189.06575	0.7
189.16348	1.8
203.17888	1.1
214.87462	0.7
245.22585	28.0
261.22159	0.8
263.23648	45.0
264.24094	1.3
270.63599	0.7
278.14468	0.8
281.24637	1.0
337.27307	100.0
338.27625	4.0
355.28271	10.0
417.24191	5.1
435.24487	0.9
437.19156	3.2
439.99545	0.8
481.30728	1.2
499.32407	8.9
661.36987	1.8
678.82233	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1117.6634
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05405	11.5
81.03343	0.7
81.06971	32.5
83.04881	1.5
83.08533	28.4
84.08862	0.5
85.02821	6.8
85.06460	1.7
85.10093	4.5
87.04372	0.4
91.03870	5.9
91.05394	2.1
93.06969	16.7
95.04864	0.9
95.08527	33.0
96.08871	0.4
97.02812	3.2
97.06448	5.7
97.10098	20.6
98.98392	20.9
99.04355	0.7
99.08008	1.6
107.07873	0.6
107.08537	11.4
109.02786	0.7
109.10101	15.4
111.08013	4.1
111.11678	5.4
112.50393	0.4
113.09547	0.4
116.99438	1.6
120.13598	0.3
121.10087	27.6
123.11667	5.5
125.09634	2.7
125.13211	0.9
127.03864	2.3
129.05408	0.4
135.11642	22.6
137.13229	2.5
139.11147	2.9
145.04938	1.7
149.13226	8.8
151.14774	2.7
153.12706	2.3
155.01019	12.5
163.05951	2.2
163.14769	4.1
165.16310	2.0
167.14259	0.8
173.02141	1.2
177.16328	0.9
182.40280	0.4
191.17932	0.9
205.19368	0.6
247.24135	14.7
248.24467	0.5
265.25198	30.5
266.25516	2.6
283.26212	4.8
339.28854	100.0
340.29144	5.8
357.29895	26.5
357.34299	1.0
358.30200	1.5
419.25430	8.3
483.32941	0.6
501.34140	6.6
502.34198	0.5
663.39014	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1117.6631
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05402	18.9
81.06971	43.6
83.08540	32.9
83.33089	1.4
84.63336	1.4
85.02821	11.5
85.06442	2.2
85.10092	3.4
86.45179	1.5
89.94553	1.5
91.03861	7.9
91.05392	1.5
92.99850	1.4
93.06971	23.5
95.04855	1.5
95.08528	43.4
97.02795	6.5
97.06444	5.9
97.10095	25.9
98.52713	1.4
98.98399	24.5
107.08530	15.4
109.10101	25.7
111.08006	7.3
111.11649	7.0
121.10088	38.2
123.11644	7.5
125.09642	1.7
135.11638	26.1
139.11121	2.7
149.13231	12.2
151.14796	2.8
153.12767	2.2
155.00967	18.8
155.90991	1.5
156.23730	1.4
163.05937	3.0
163.14828	3.0
193.41023	1.4
247.24101	21.1
265.25220	48.3
282.25830	1.4
282.34421	1.3
283.26190	6.2
286.82248	1.7
288.88608	1.5
317.09204	1.6
339.28857	100.0
340.29102	7.9
357.29968	38.3
419.25494	15.1
451.06143	1.6
465.55792	1.7
501.34717	2.5
516.46600	1.6
730.77386	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1118.6828
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05411	61.9
81.03349	5.6
81.06978	100.0
83.08526	10.7
85.02827	92.6
85.06470	5.6
91.03878	62.0
91.05404	31.7
93.06972	53.0
95.04870	7.3
95.08534	94.8
97.02818	58.5
105.06960	26.1
107.08548	35.9
109.10117	35.3
119.08530	25.7
121.10075	19.2
123.11633	9.9
127.03855	30.9
131.08514	11.4
133.10046	17.2
135.11720	10.8
145.04938	36.2
145.10077	7.9
147.11664	8.7
149.13213	6.8
159.11612	9.6
163.05986	43.6
197.32480	4.8
197.34409	5.1
261.22214	17.4
335.25720	55.9
337.27261	69.5
597.49030	35.7
615.49725	77.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.6375
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03348	0.9
85.02845	4.8
91.03900	1.4
95.08577	1.3
95.50237	0.9
97.02854	4.5
101.02370	1.6
127.03895	1.4
138.55464	0.8
140.66360	0.7
147.04327	0.8
147.97614	0.8
203.05247	1.1
242.53360	0.8
281.67868	0.8
303.23843	0.8
320.97891	0.9
347.09515	8.0
363.09106	1.1
365.10419	6.3
405.13922	1.9
407.11389	0.9
451.14172	1.1
509.14697	8.3
521.30951	1.0
525.14594	4.3
527.15857	3.3
567.18787	8.3
568.19861	1.1
681.34827	4.5
683.36157	3.1
843.39636	15.3
845.42041	9.9
846.42230	1.0
1029.28040	0.9
1123.63562	100.0
1124.63831	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	1134.6896
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05405	1.2
81.06979	8.9
82.93315	0.6
83.08547	8.5
83.81411	0.7
85.02818	1.0
85.10114	8.3
91.03870	1.0
93.06962	3.1
95.08542	11.4
97.02815	0.9
97.06474	1.0
97.10094	5.7
98.98396	6.7
102.98570	0.7
107.08544	1.0
109.10091	6.8
111.11658	1.1
121.10107	6.4
123.11681	1.1
124.01565	0.9
135.11687	3.6
137.13239	0.9
149.13258	1.4
155.01030	5.7
175.44296	0.7
213.43312	0.7
239.23701	1.2
247.24130	3.8
265.25122	6.7
282.27893	13.6
313.27313	100.0
314.27524	6.1
339.28903	14.1
357.29959	10.1
393.23914	6.2
419.25336	1.1
436.28192	29.7
451.17621	0.9
454.29196	41.3
455.29321	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1139.6458
Annotation	Unknow
Peak:m/z	Relative Intensity
118.91744	0.4
119.01908	0.5
133.03427	0.6
151.04480	0.5
155.01872	0.5
161.02916	0.6
173.02960	1.8
181.31392	0.3
187.04501	0.4
245.05136	0.6
271.75928	0.4
277.07690	0.3
323.24338	0.5
341.25311	3.9
347.09311	1.5
359.26331	3.9
501.79114	0.4
541.33350	28.0
542.33765	1.8
703.38580	100.0
704.38910	9.7
1061.81641	0.4
1139.63196	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	114.0914
Annotation	epsilon-Caprolactam
Peak:m/z	Relative Intensity
53.00240	0.2
55.01581	0.2
55.01812	2.9
55.05439	1.0
56.29705	0.1
56.96500	1.6
57.03381	0.3
58.02882	0.3
58.06514	0.3
58.99796	0.2
59.04677	0.2
59.04934	3.1
59.52113	0.7
60.08064	0.2
60.13524	0.1
60.20518	0.1
60.95765	0.8
62.02376	0.2
63.70598	0.1
65.39443	0.1
67.05411	0.7
68.04942	1.8
68.52621	0.8
69.02969	0.2
69.03347	6.3
69.06981	6.9
69.60046	0.2
70.02834	0.1
70.06506	0.3
71.02898	19.7
71.04906	0.3
71.08540	0.6
71.52937	0.3
72.04430	3.3
72.08060	0.8
72.93710	1.3
73.02809	0.2
73.03928	0.2
73.06461	0.2
77.00780	0.2
77.96545	0.1
78.03696	0.2
79.05404	7.5
80.03415	15.9
80.53493	0.8
82.53678	2.6
83.03804	0.2
84.08057	0.2
85.02821	0.8
86.05972	1.0
86.09634	0.3
87.00751	1.3
87.04382	3.7
89.03947	0.8
90.94740	0.3
91.02236	0.2
91.05707	0.2
91.48112	0.6
91.52009	0.7
91.54208	1.0
92.01215	0.8
96.04403	0.3
96.08046	5.9
97.02806	1.9
97.06456	2.1
98.02343	0.3
98.97491	0.2
100.00562	0.2
100.02332	1.0
100.48623	1.3
104.90755	0.7
108.95809	0.2
109.49178	0.3
114.02637	0.3
114.05521	2.1
114.09115	100.0
115.03875	10.3
115.05032	0.2
115.09452	2.1
118.02655	0.2
118.03451	1.5
120.97932	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	114.0914
Annotation	DMPO
Peak:m/z	Relative Intensity
55.00489	0.2
55.01805	0.4
55.05442	0.8
55.55142	0.2
59.04930	0.4
67.05431	0.7
68.04944	0.8
69.03346	2.4
69.06986	7.4
70.06488	0.3
71.02907	4.2
71.04893	0.2
71.08537	0.8
72.04433	0.2
72.08069	0.5
72.93687	0.2
77.67372	0.2
79.05407	8.0
80.02978	0.3
80.03419	4.6
80.53516	0.3
82.53690	0.3
84.08069	0.2
85.02829	0.2
86.05980	0.3
86.09606	0.8
87.00742	0.2
87.04395	1.4
88.53790	0.2
91.51980	0.2
96.08047	5.6
97.02831	0.8
97.06457	2.3
100.02390	0.2
100.48624	0.2
114.09117	100.0
115.03870	3.2
115.09451	2.3
118.03461	0.4
122.14845	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0389
Annotation	Siphonodin
Peak:m/z	Relative Intensity
53.00233	2.3
53.03887	1.8
55.01805	4.7
56.96498	8.2
57.03379	9.0
59.04929	11.2
69.03346	100.0
69.06971	2.3
70.06496	2.2
71.01260	6.7
71.02883	6.1
73.02813	1.9
76.56813	1.2
80.03429	7.5
85.02824	45.4
87.00749	13.3
87.04385	18.5
97.02815	60.6
100.00394	0.9
115.03875	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	115.0389
Annotation	Siphonodin
Peak:m/z	Relative Intensity
53.00236	2.7
55.01815	4.9
55.05444	1.8
55.81809	1.1
56.55924	1.0
56.96498	22.8
57.03376	11.2
59.04935	21.2
59.52126	1.0
60.13567	1.1
64.68743	0.9
68.52642	2.6
69.03345	100.0
69.06991	3.0
70.06493	8.5
71.01267	5.3
71.02899	73.4
71.52934	10.1
72.02777	9.6
73.02818	5.0
80.03416	55.5
80.53482	10.1
81.03298	5.9
82.53689	8.2
83.03827	1.3
83.53536	1.7
85.02821	54.2
87.00756	14.2
87.04388	27.8
89.03970	2.4
91.54205	2.3
97.02819	70.8
100.02404	2.2
115.03879	70.5
118.03481	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	118.065
Annotation	4-Ethynylaniline
Peak:m/z	Relative Intensity
55.05445	2.4
55.13766	1.0
71.78704	0.9
72.08067	25.3
78.30566	0.9
91.05401	20.4
91.08355	0.9
93.28364	1.0
97.13395	1.0
101.71449	1.0
116.93820	1.0
117.05693	1.6
118.06483	100.0
119.06827	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	118.0861
Annotation	L-Norvaline
Peak:m/z	Relative Intensity
51.17111	0.1
53.03876	0.2
55.05450	14.1
56.04965	0.2
56.96489	0.2
57.05751	0.8
59.04918	0.3
70.34181	0.1
72.08067	100.0
73.08396	0.6
87.23310	0.1
100.02454	0.1
103.47403	0.1
108.38296	0.1
118.03463	0.2
118.08608	2.6
129.81425	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	119.0189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73001	0.5
55.01799	0.5
56.96497	0.7
60.55322	0.6
87.53387	0.7
100.02405	3.7
101.00809	10.0
101.02493	7.5
102.02138	1.3
106.05171	0.6
112.66196	0.6
118.03470	4.0
119.01874	100.0
119.03572	9.3
120.01984	2.2
120.03275	1.3
128.17993	0.5
131.01872	0.7
137.02930	80.6
138.03096	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0853
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
52.29790	0.8
54.92931	1.0
56.04964	1.7
56.05741	1.0
61.97690	0.9
65.03848	1.2
67.40416	1.0
73.08395	5.9
74.05988	2.4
79.05392	1.5
90.30359	1.0
91.05402	44.1
96.20061	1.1
103.05420	2.8
104.06179	4.5
115.05405	1.5
115.20757	1.3
117.06973	9.5
119.08533	100.0
120.08901	2.0
124.52592	1.1
132.82573	1.2
134.64142	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0854
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
56.04954	4.7
56.96485	6.9
57.03364	1.0
58.06510	1.5
65.03834	1.3
72.08058	6.0
73.08396	16.9
74.05972	6.9
78.25412	1.1
79.05396	5.3
84.01463	4.4
87.53399	1.8
91.05399	71.5
93.06949	1.9
102.05457	1.2
103.05371	7.8
104.06157	4.1
117.06943	15.8
119.04909	2.1
119.06040	3.7
119.08522	100.0
120.05502	4.3
120.08024	1.5
128.06009	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0854
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.07927	0.3
50.91933	0.3
53.03873	0.6
54.14181	0.4
55.05442	0.8
56.04959	2.1
56.05774	0.7
56.96487	2.2
57.03364	0.4
58.06524	0.7
65.03877	0.9
67.79553	0.4
72.08060	0.8
72.17106	0.4
73.08401	8.5
74.04567	0.3
74.06001	4.7
78.04629	0.7
79.05409	4.5
84.01460	0.8
87.53397	0.8
91.05404	51.2
93.01981	0.8
93.06966	2.4
95.04887	2.0
96.53957	0.4
102.05492	0.6
103.05389	4.3
104.06187	4.9
104.52801	0.5
109.06489	0.5
111.03503	0.4
115.05395	2.1
117.06973	10.6
119.06031	3.2
119.08533	100.0
120.05544	0.9
120.08862	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	120.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82811	0.3
53.03895	0.3
56.04973	0.7
58.43209	0.3
74.05983	1.9
79.05441	0.5
80.04916	0.3
91.05408	4.7
93.06973	12.4
95.04900	2.5
103.05406	50.7
104.05729	0.8
118.06500	0.7
120.08060	100.0
121.08399	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	123.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14539	1.2
55.74123	1.3
56.92684	1.2
56.96499	20.8
58.99784	6.1
61.92799	1.2
67.50976	2.0
76.51488	2.6
77.00821	1.9
78.74072	1.5
79.01740	2.6
82.01356	13.8
88.02291	24.9
97.02814	5.6
100.02412	100.0
101.02464	2.8
101.29884	1.3
102.77227	1.9
118.03462	96.3
119.01870	15.1
119.03555	2.3
126.26187	1.7
137.02917	10.0
141.05070	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0552
Annotation	Picolinamide
Peak:m/z	Relative Intensity
53.03887	0.6
54.81746	0.1
55.01812	0.3
56.74956	0.1
56.96500	10.6
57.03365	0.7
58.99781	0.3
61.02841	0.3
62.75658	0.1
63.02612	0.1
67.05420	0.6
67.50976	1.5
67.73109	0.1
68.04939	0.2
68.52579	0.1
69.03349	0.3
70.01226	0.2
71.02887	0.2
73.02834	0.5
76.51498	2.3
77.00817	0.2
78.03359	0.6
79.01765	4.4
79.04108	0.1
79.51978	0.2
80.04927	25.6
81.03319	0.6
82.01350	0.3
84.70968	0.1
85.02825	0.6
85.52034	0.6
86.52643	0.5
87.53423	0.2
88.02290	12.5
88.51546	0.2
88.52470	0.6
90.02365	0.2
91.00443	0.2
92.52572	0.1
93.53365	0.2
95.04897	1.9
95.06006	0.3
95.53165	0.2
96.04413	7.8
96.05033	0.3
97.02827	2.9
97.52026	0.2
99.53115	0.2
100.00957	0.3
100.02409	5.1
101.00827	0.2
101.02502	0.2
102.02248	0.2
105.00233	0.1
106.02864	1.6
109.02839	0.2
111.02878	0.2
115.02402	0.2
117.02154	0.1
118.03461	5.9
119.01871	2.1
119.03577	0.2
120.03232	0.2
123.05498	100.0
124.03905	5.5
124.05830	0.9
124.07491	0.2
131.01932	1.0
133.03419	0.3
137.02879	0.7
142.03471	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.0218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	10.5
54.48318	1.7
55.01807	9.7
55.87140	2.2
56.96492	3.2
57.03342	2.1
60.99529	2.1
69.03349	3.7
71.04892	3.3
78.18998	1.9
80.04922	3.0
81.03328	12.3
82.01375	3.4
82.67744	2.2
83.81326	2.2
84.04408	3.4
92.10539	3.8
97.02869	2.4
99.04405	3.4
100.02428	20.1
100.48657	2.2
100.53305	2.6
101.02489	9.4
101.03943	3.8
102.02155	19.5
103.00558	4.9
103.02448	2.3
104.90714	2.2
108.04427	12.3
109.02854	9.2
117.02146	3.1
118.03468	18.0
119.01860	1.9
119.03570	4.3
120.03185	18.8
121.01621	100.0
121.02322	4.5
121.03539	5.1
126.05469	9.5
127.03876	46.8
133.03482	2.9
134.03564	3.1
135.03183	4.1
139.02672	63.5
142.03487	4.0
144.02017	8.6
144.03181	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	128.1069
Annotation	2-Acetonyl-3,5-dihydroxy-7-methoxy-1,4-naphthoquinone
Peak:m/z	Relative Intensity
53.66374	0.4
54.03404	2.3
55.01813	56.0
55.05437	2.6
56.96500	1.3
57.03374	0.7
57.07011	33.1
59.66171	0.5
63.53044	0.6
68.04907	0.5
70.06506	0.7
72.04430	100.0
72.08070	2.2
74.09624	7.8
74.10316	0.5
80.04948	0.8
81.85119	0.6
82.03675	0.6
82.06496	10.5
82.07249	0.5
83.08537	0.5
84.01495	0.6
84.04416	0.9
90.88498	0.5
92.10889	1.3
93.02006	3.2
98.21115	0.5
100.07545	3.1
110.03159	1.0
110.05996	3.8
122.67426	0.5
126.28798	0.5
128.03410	1.5
128.04205	7.4
128.07024	10.8
128.10677	74.5
129.05388	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89346	0.3
52.63458	0.3
53.03888	0.3
54.17213	0.4
55.05452	0.7
56.04965	0.5
56.96497	0.5
57.03371	1.9
58.06534	13.9
62.60218	0.4
67.05421	0.5
70.06503	2.3
71.04922	0.5
72.08068	54.7
73.08417	0.6
74.67056	0.5
75.27425	0.4
77.43027	0.4
84.04424	9.4
84.08065	41.5
86.52589	0.5
87.68961	0.5
92.10513	0.6
95.04914	0.5
95.53101	0.7
100.02417	1.8
102.66695	0.4
109.87196	0.5
112.11189	100.0
113.11509	1.0
118.03492	0.6
129.05440	1.8
129.13834	34.4
130.04962	0.6
130.06445	0.5
130.08611	0.7
139.72516	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0649
Annotation	Quinoline
Peak:m/z	Relative Intensity
54.81439	0.3
56.04966	0.7
56.96495	1.7
62.22387	0.3
64.33196	0.3
65.98911	0.4
69.03333	1.7
70.06490	0.8
71.04904	0.6
77.03860	0.4
77.69273	0.3
79.68394	0.3
84.04425	33.6
84.08070	1.5
85.02848	0.4
95.04884	0.6
103.05399	4.5
112.07558	4.0
116.98571	0.3
128.04892	0.4
130.04933	4.6
130.06490	100.0
130.15839	0.5
131.06819	2.0
131.59407	0.3
146.06013	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0861
Annotation	1723-00-8
Peak:m/z	Relative Intensity
53.51487	0.3
56.04962	0.6
64.33221	0.4
67.05442	0.4
67.70839	0.3
69.03343	27.5
69.06991	3.6
71.04899	0.6
78.99595	0.3
82.06484	1.8
84.04427	5.8
84.08060	15.8
93.62959	0.3
112.07542	100.0
113.07864	0.6
121.23531	0.4
129.46683	0.3
130.08595	36.0
130.92531	0.4
131.08922	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1589
Annotation	Octylamine
Peak:m/z	Relative Intensity
53.00243	0.3
53.62227	0.4
54.81787	0.5
56.04961	2.7
56.96492	2.4
57.03356	0.5
57.07012	36.6
58.07345	0.4
61.37643	0.3
64.33598	0.5
68.95169	0.4
69.03331	2.3
70.06506	2.8
71.04895	1.7
74.09629	26.2
84.04427	62.0
84.08067	2.1
85.04745	1.7
87.00383	1.7
93.82501	0.4
95.04892	0.4
96.33032	0.4
100.72605	0.4
102.05447	0.4
103.05405	5.5
103.09696	0.4
112.07571	6.4
119.21961	0.4
122.63170	0.5
130.04968	7.3
130.06483	1.7
130.08580	3.2
130.15883	100.0
131.04875	0.5
131.16267	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	131.049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97038	0.3
53.03876	0.8
56.04983	0.4
56.96496	10.3
57.03361	1.9
57.06999	2.2
60.04441	1.9
67.05437	0.5
67.50980	0.5
69.03336	0.9
69.06963	0.8
71.04891	1.0
74.09620	1.7
76.51498	5.0
79.01756	0.9
81.03333	0.5
84.04392	3.0
85.02805	1.6
85.04205	0.9
85.04752	11.2
85.52020	5.4
86.05991	0.5
86.09621	8.8
87.00387	3.4
88.00367	1.7
88.02292	5.5
90.05476	0.5
92.01210	1.6
94.52573	0.9
95.04886	6.0
96.00917	0.9
97.00928	7.2
97.01485	0.7
97.02796	5.1
98.97518	1.7
99.51182	0.9
100.02364	0.5
102.04663	0.4
103.05396	100.0
103.97620	0.4
104.05732	1.9
105.04462	0.7
106.01468	1.0
108.51736	0.6
113.05936	0.6
113.07870	1.8
113.96357	0.8
115.96388	1.0
116.98566	1.0
124.67668	0.4
130.15895	4.6
131.04872	18.8
131.16229	2.5
131.97382	0.8
133.97379	0.8
134.99628	1.7
146.99681	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	1.9
56.96238	0.6
56.96500	10.0
57.03358	1.0
57.06999	1.9
60.04445	2.8
67.05402	0.6
67.50970	0.5
68.95193	0.7
69.06988	1.9
70.06528	0.5
74.09620	1.2
74.97501	0.5
76.51494	5.6
79.01759	0.9
84.04413	2.1
85.02784	0.7
85.04239	0.9
85.04741	7.5
85.06471	0.5
85.52029	9.4
86.05951	0.8
86.09631	9.0
87.00393	3.2
88.00420	3.6
88.02294	8.5
92.01228	0.5
92.10888	1.0
94.52576	0.5
95.04878	6.0
96.00898	0.9
97.00924	10.0
97.02802	5.1
97.58093	0.4
98.97499	0.8
99.51174	0.5
102.04593	0.8
103.05399	100.0
104.05737	0.6
105.04433	0.9
106.01443	1.0
106.03300	0.5
107.86454	0.5
108.51703	0.8
113.05898	0.7
113.07890	2.2
113.96333	1.1
115.96363	0.9
116.98540	1.0
122.83816	0.4
130.15884	2.9
131.04872	15.8
131.06868	0.7
131.08589	0.7
131.11774	1.9
131.16234	1.1
131.97395	2.8
133.97417	0.9
134.99600	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95182	0.3
53.03902	0.8
56.96501	11.5
57.03380	0.9
57.07019	0.9
60.04456	4.6
61.02871	0.3
67.05441	0.5
68.95212	1.3
69.03359	0.8
69.06999	0.8
70.01251	0.4
70.03677	0.3
70.06512	0.5
71.04939	0.6
71.95188	0.5
74.97521	0.7
76.51494	7.2
79.01784	2.3
81.03336	0.4
84.04434	2.5
85.02833	0.5
85.04761	8.2
85.05976	0.3
85.08401	0.7
85.52028	14.5
86.01206	0.4
86.05999	0.8
86.09628	10.6
86.10162	0.4
87.00400	7.0
88.00404	2.6
88.02293	13.5
88.02784	0.7
88.07525	0.4
90.05458	0.4
90.93275	0.3
91.05412	1.7
92.01250	0.9
94.52549	2.5
95.04896	6.2
96.00910	2.6
96.55164	0.3
97.00936	15.3
97.02817	9.2
97.40296	0.3
97.52573	0.4
98.51176	0.6
98.97523	0.9
99.51204	1.7
99.53082	0.5
102.04634	0.5
103.05402	100.0
104.05714	1.6
105.04437	0.6
106.01466	4.4
108.51723	2.0
110.63612	0.4
112.07535	0.4
113.05881	0.4
113.07884	2.0
113.96342	1.9
115.96381	2.8
116.97171	0.7
116.98570	0.7
130.15822	1.9
131.04871	19.2
131.06859	0.6
131.08495	3.8
131.11734	0.9
131.16122	0.8
131.97401	3.2
132.06540	0.4
133.97430	3.2
134.99603	1.5
146.99640	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02335	0.4
53.03893	1.8
56.96498	5.1
57.00504	0.3
60.04457	1.9
67.05415	0.5
67.50987	0.4
69.06982	0.4
70.03693	0.3
76.51493	3.6
77.03839	0.4
79.01786	0.3
81.03336	0.3
84.04437	1.6
85.04293	0.3
85.04754	3.1
85.52027	7.7
86.05945	0.3
86.09625	2.8
87.00381	2.4
88.00439	1.1
88.02287	5.8
89.70628	0.3
94.52541	0.8
95.04883	6.3
96.00873	0.4
97.00924	3.8
97.02832	3.9
98.97495	0.5
99.51192	0.3
102.04620	0.6
103.05396	100.0
104.05732	1.8
105.04453	0.7
106.01453	2.1
106.03345	0.5
106.90108	0.3
108.51705	0.4
113.96333	0.5
115.96368	1.5
116.98527	0.5
130.15868	0.3
131.04872	17.5
131.11835	0.3
131.97383	0.6
133.97374	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0807
Annotation	6-Methyl indole
Peak:m/z	Relative Intensity
51.02176	0.7
56.96486	1.6
69.06976	3.4
86.09624	27.8
88.26440	0.8
91.05392	0.8
97.02853	0.8
105.06956	6.3
115.05397	11.7
117.05698	36.6
122.19104	0.9
130.06483	4.9
131.07254	3.7
132.04416	1.6
132.08046	100.0
132.94791	1.2
133.06412	1.2
133.08333	1.4
150.04028	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32322	0.4
53.03878	0.7
54.03396	1.8
54.40288	0.3
55.04184	1.5
55.06569	0.3
55.39173	0.3
56.04955	0.4
57.03360	0.8
57.05753	0.4
57.83156	0.3
58.06524	0.5
58.99512	1.5
61.01078	12.2
61.81810	0.3
69.06602	0.5
69.06985	17.8
70.07319	19.3
70.57513	0.3
72.00259	0.7
72.83155	0.3
74.98969	0.5
76.51493	0.4
77.00542	0.5
81.04455	5.9
82.05246	3.8
85.01051	2.6
85.02812	2.2
86.01862	0.4
86.09624	66.8
87.02091	0.8
87.02610	17.2
87.09348	7.6
87.09953	100.0
91.02073	0.5
105.00024	0.5
109.56989	0.3
112.02129	15.9
113.02929	9.0
123.07882	25.0
124.05392	0.4
124.08198	1.2
126.03719	0.8
131.06415	0.4
133.03143	5.9
133.05937	3.1
133.10503	1.7
134.25844	0.3
143.03993	0.6
144.04773	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	133.0493
Annotation	2-(Hydroxymethyl)-4-oxobutanoate
Peak:m/z	Relative Intensity
53.00235	2.8
56.96503	11.1
57.03374	66.7
68.38241	2.0
69.03351	100.0
71.01252	8.5
72.08069	3.8
73.02840	22.8
74.02373	4.2
75.04390	15.0
77.08682	2.3
78.44825	2.3
84.05962	2.4
84.73790	2.2
85.02833	50.4
86.09619	5.8
87.04408	15.1
87.09959	16.4
89.02325	2.5
97.02820	35.1
97.14988	2.1
106.55297	2.2
110.37592	2.5
125.40199	2.3
127.36095	2.2
133.05005	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	133.049
Annotation	2-(Hydroxymethyl)-4-oxobutanoate
Peak:m/z	Relative Intensity
51.83464	2.7
55.01805	2.7
56.96501	35.1
57.03370	65.4
59.04919	2.6
61.01080	4.6
69.03346	100.0
71.01266	14.3
72.08059	27.2
73.02814	21.0
74.02332	24.7
75.04390	13.9
85.02828	41.3
86.09631	10.9
87.04405	19.3
87.09947	23.4
88.03906	12.6
92.10392	14.0
92.10918	3.5
92.15291	2.7
97.02824	45.8
98.00690	3.6
105.27911	2.8
110.01189	3.0
119.01759	6.2
133.06621	4.6
133.07594	3.4
134.99631	3.0
148.23497	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.049
Annotation	2-(Hydroxymethyl)-4-oxobutanoate
Peak:m/z	Relative Intensity
54.81561	3.6
55.05436	4.4
56.96509	39.2
57.03372	59.1
57.29648	3.0
69.03349	100.0
69.06959	4.7
70.06499	3.5
70.07294	4.5
72.08064	51.5
72.23534	3.8
73.02850	6.2
74.02354	29.0
75.04384	22.7
85.02824	56.6
86.09637	28.0
87.04379	18.2
87.09956	68.9
88.02135	6.4
88.03902	5.4
91.05406	8.1
97.02810	26.0
98.00679	9.6
98.01235	5.8
104.69581	4.0
105.06958	24.3
119.01754	8.8
133.06572	3.9
133.07520	6.5
133.10077	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	134.9964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53643	0.8
56.96249	1.4
56.96502	30.7
57.03352	1.8
69.03339	1.9
71.04903	10.1
71.95156	1.8
73.90997	0.8
78.81756	0.9
79.05420	0.8
81.31544	0.8
98.97516	54.2
107.04896	0.9
109.13108	1.0
109.15781	0.9
116.98573	75.7
133.09503	1.1
134.99622	100.0
135.05594	1.0
135.09143	1.6
136.06126	2.1
144.75323	1.0
153.00682	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0803
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
51.23651	2.6
51.76404	2.6
52.55350	2.4
56.96502	16.8
57.03363	6.4
57.86836	2.3
71.02904	38.6
71.04905	100.0
71.52953	6.9
72.35134	2.6
73.04419	2.8
76.36478	2.7
77.39544	2.6
79.05415	29.0
80.03419	42.6
80.53505	3.7
82.53689	7.2
91.02294	3.8
91.05405	79.3
91.54247	3.8
93.06985	7.1
105.06966	36.0
107.04890	4.8
107.06052	3.6
107.08539	74.1
109.06477	20.2
115.05395	44.9
116.06249	2.8
116.98557	4.4
117.06926	31.5
118.03442	3.4
119.03484	5.9
119.06029	4.0
120.05663	4.1
121.66904	3.0
127.01287	2.7
134.99654	12.3
135.06557	4.7
135.06998	4.7
135.08022	84.2
135.11610	4.1
136.02124	14.3
136.06158	86.2
136.07233	5.4
136.11195	23.2
137.04509	3.2
153.00801	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	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.57007	1.0
53.03880	6.4
55.05233	1.0
55.05449	12.6
56.96489	6.5
65.03856	2.0
67.05433	2.3
68.73694	1.6
69.03315	1.5
69.06985	2.5
71.02882	6.1
71.04907	30.4
73.02823	1.2
76.56567	1.4
76.88006	1.2
79.05404	20.4
80.03413	6.1
81.06960	2.8
91.05403	43.8
93.06968	71.5
95.04897	12.8
98.97533	1.8
105.04466	1.6
105.06966	21.4
107.04884	7.7
107.08533	100.0
108.08868	2.0
109.06470	7.7
115.05383	3.0
116.98583	2.0
117.06992	2.5
119.08533	6.7
120.09286	2.2
130.78896	1.3
134.99565	1.6
135.04391	8.9
135.08003	8.1
135.11662	43.2
136.02116	8.7
136.06151	48.0
136.07480	4.7
136.11186	8.4
137.04555	2.6
152.32953	1.2
153.44095	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1166
Annotation	(S)-(-)-Perillyl alcohol
Peak:m/z	Relative Intensity
51.10175	1.1
53.03875	2.4
53.17760	1.4
55.05436	7.1
56.71062	1.4
56.96489	2.8
69.06982	2.4
71.02908	1.8
71.04903	11.9
71.46654	1.4
74.81293	1.4
74.82758	1.4
79.05414	17.4
87.78490	1.4
90.28164	1.5
91.05401	37.7
93.06973	43.6
93.65273	1.3
95.04874	7.4
98.09492	1.4
105.06978	18.7
107.04888	2.2
107.08530	100.0
109.06445	12.7
119.06014	2.3
119.08545	11.2
120.09287	2.5
134.99620	1.6
135.04311	1.8
135.08005	3.6
135.11635	44.1
136.06152	15.9
136.11086	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1166
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.80653	1.9
55.05450	5.2
66.89101	2.4
67.05415	3.0
69.85651	2.7
71.02905	5.5
71.04907	35.7
79.05408	14.0
80.03423	6.0
91.05408	30.6
92.10967	6.2
93.06962	44.4
95.04881	4.1
98.97461	2.8
105.06960	17.9
107.07866	5.0
107.08540	100.0
109.06451	5.1
110.75419	2.6
118.03464	2.8
119.06008	2.8
119.08512	17.8
120.09354	3.1
121.08807	2.5
134.99561	3.1
135.08049	3.3
135.11662	68.2
136.02104	5.8
136.06163	59.9
136.07253	3.8
136.11180	6.6
154.94109	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	136.0615
Annotation	Adenine
Peak:m/z	Relative Intensity
50.67456	0.5
52.30595	0.5
53.89488	0.5
56.96483	1.2
57.09464	0.5
57.66430	0.5
70.13862	0.8
91.05408	2.7
94.04027	1.5
119.03542	5.5
122.03643	0.7
129.38049	0.6
130.09393	0.7
136.02112	2.7
136.06160	100.0
136.11171	6.6
137.04576	5.6
137.05942	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
52.35114	1.1
54.81560	1.3
60.50535	1.1
66.86524	1.3
70.47007	1.2
79.05378	1.8
81.66322	1.6
91.83835	1.2
93.05986	1.2
94.04115	21.7
122.03593	38.0
137.05942	100.0
138.06290	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.61372	0.3
53.03880	0.5
55.01798	0.5
55.05463	0.4
55.87766	0.3
55.93463	0.4
56.96493	0.7
57.48491	0.2
59.96980	0.3
63.54618	0.3
65.03862	0.4
66.04628	2.5
67.05424	1.6
76.56716	0.3
78.96693	0.5
79.05396	3.3
81.03323	0.5
81.06972	1.6
89.64426	0.3
90.84138	0.4
90.96710	2.6
91.05389	3.5
92.10893	0.6
93.06953	0.5
94.04108	20.8
94.06485	0.5
95.04894	2.0
98.80543	0.3
100.94781	0.3
105.01998	0.4
105.03345	0.4
105.04424	0.3
107.04910	2.2
109.06458	0.7
110.05969	0.7
120.04388	0.7
122.03593	40.6
123.03918	0.8
137.05942	100.0
138.05391	4.5
138.06371	2.7
146.96133	0.4
148.18503	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0548
Annotation	Trigonelline
Peak:m/z	Relative Intensity
65.03857	0.4
67.05437	0.3
84.39355	0.3
87.54263	0.3
92.04907	2.0
93.05710	0.5
94.06488	11.9
96.04410	2.4
110.05989	10.5
138.05469	100.0
139.05817	1.3
154.04927	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
78.53029	51.5
113.56668	53.6
117.48045	49.3
119.01914	100.0
132.62912	56.2
141.20482	54.1
148.06033	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
72.65260	0.6
74.52425	0.8
82.76550	0.6
84.77510	0.7
100.02431	0.8
101.00820	11.6
101.02541	1.0
119.01869	100.0
119.03535	2.9
120.01962	1.6
120.03231	0.8
123.72832	0.7
125.00931	0.8
137.02924	54.8
142.02364	0.9
142.03474	24.6
143.03673	0.8
160.04497	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	142.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01929	0.2
50.77356	0.2
53.00235	0.4
53.02425	0.3
54.03409	0.2
55.01814	11.5
55.05449	0.6
56.04975	0.6
56.96502	43.1
57.03368	0.6
57.07009	0.9
58.50465	1.8
59.24294	0.2
60.04461	0.3
60.95779	2.0
61.02855	0.5
67.50979	5.8
68.04940	0.4
69.03342	1.0
70.01239	1.6
71.01286	0.3
71.04896	0.2
71.08549	2.0
72.04430	26.1
74.97534	0.3
76.51500	8.4
79.01770	33.0
80.99846	0.2
83.00663	0.5
84.04427	0.4
84.95945	0.3
85.52030	2.7
88.02296	100.0
88.11178	2.0
89.02522	0.3
90.52566	4.7
92.01220	2.5
94.02282	0.2
95.03062	0.6
96.08087	0.3
97.02823	21.0
97.07568	1.9
98.01211	0.6
98.97490	1.8
99.53091	9.9
100.07532	1.1
101.02484	0.4
102.02141	0.4
103.52023	0.6
105.01987	0.4
107.01737	0.5
107.08537	0.4
108.53591	1.0
110.97515	0.3
111.03873	0.3
116.98560	1.5
118.03479	0.4
119.01835	3.0
119.03571	0.3
120.03258	0.3
125.02301	3.6
128.02225	0.4
128.98535	0.4
134.99635	1.4
137.02939	2.2
139.17767	0.3
140.98624	0.3
142.03471	0.6
142.08603	1.6
142.12247	24.4
143.03365	7.7
143.08127	1.7
143.12566	0.3
146.99599	1.7
158.99774	0.3
160.04543	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	0.6
54.81707	0.3
55.01810	0.5
55.05455	30.6
56.04968	1.2
56.96505	47.3
57.03372	1.6
57.07010	1.4
58.50463	1.9
59.06048	0.3
60.04459	8.5
60.95785	2.1
61.02880	0.4
67.50983	6.6
68.04949	0.4
68.48707	0.3
69.03355	3.1
69.06989	0.3
70.01251	2.1
70.16976	0.3
72.04432	7.7
74.97533	1.4
76.51508	10.3
79.01774	39.8
82.06480	0.5
83.00679	0.6
83.08540	13.5
84.04457	0.3
84.95957	0.3
85.02837	0.5
85.52036	1.7
86.05981	0.4
88.02300	100.0
90.52570	5.8
92.01225	3.3
95.03085	1.2
96.08091	0.7
97.02823	19.0
97.07580	2.5
98.01229	0.5
98.97546	2.5
99.02003	0.6
99.53094	9.8
100.02415	0.6
100.07556	0.6
100.11190	23.1
101.02537	0.4
101.07075	0.4
103.52032	0.7
105.02029	0.4
105.08498	0.3
107.01755	0.7
108.53639	1.4
111.03899	0.4
114.09110	0.4
116.98560	1.9
119.00135	0.7
119.01873	4.3
119.03571	0.4
119.51963	0.4
120.03249	0.5
124.03964	0.3
125.02310	3.9
134.99620	2.0
136.99179	0.3
137.01155	0.5
137.02950	1.9
137.48213	0.3
142.03484	1.7
142.08652	2.3
142.12270	7.3
143.03381	6.9
143.07147	0.4
143.08122	3.2
146.99641	0.7
158.99591	0.4
160.04510	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61974	0.3
53.00249	0.8
55.01817	0.3
55.05444	0.6
56.04969	0.6
56.96501	43.7
57.03372	0.7
57.07009	100.0
58.07337	0.9
58.43275	0.3
58.50481	1.8
59.91115	0.3
60.95508	0.4
60.95770	3.3
61.02831	0.6
67.50985	6.0
69.03342	0.9
69.06962	0.3
70.01254	0.8
70.06511	0.3
74.97516	0.5
76.51497	11.4
79.01765	36.4
83.00700	1.5
84.04407	0.5
84.96025	0.4
85.01719	0.4
85.02837	0.7
85.52013	2.2
88.02294	91.0
90.52544	2.9
92.01210	2.0
94.02280	0.3
95.06442	0.3
95.52241	0.4
96.04452	0.4
96.08034	0.7
97.02824	17.8
97.07580	2.5
98.01240	0.5
98.97508	2.6
99.02035	0.6
99.53091	9.6
100.07545	5.8
101.00807	0.6
101.02480	0.5
103.52036	0.8
107.01782	0.6
108.53587	0.5
114.02507	0.5
116.00167	0.4
116.98588	2.8
119.00130	2.0
119.01849	5.0
119.03551	0.7
120.03227	0.5
124.07552	0.5
125.02326	3.4
128.02277	0.8
128.98523	0.7
134.99593	0.9
137.01175	0.7
137.02945	2.8
138.03056	0.4
140.98563	0.5
142.03418	0.7
142.08600	1.7
142.12247	3.8
143.03374	10.3
143.08128	3.4
146.99628	1.8
158.99626	0.6
163.02782	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	144.0808
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
50.58954	0.5
53.03875	2.8
55.01792	2.2
55.05467	0.5
57.03364	2.4
65.00198	0.4
69.03338	2.6
71.01271	0.6
71.04907	10.2
72.11606	0.5
74.76409	0.5
79.41488	0.5
81.03308	3.4
85.02815	5.1
88.52456	0.6
91.05390	0.5
92.10595	2.0
93.51705	0.5
98.05972	1.1
99.04380	30.9
103.05381	2.1
113.33837	0.6
114.36295	0.6
115.05416	0.9
117.06943	4.5
121.51114	0.5
127.03855	6.4
127.05383	0.6
128.04901	1.1
143.07274	6.1
144.08051	100.0
145.04950	4.7
145.06413	2.2
145.08371	2.5
146.06049	1.0
155.05972	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0495
Annotation	2-Methyleneglutarate
Peak:m/z	Relative Intensity
53.03881	11.1
53.70182	0.9
55.01808	16.1
57.03373	14.3
59.04935	1.4
61.02870	1.5
62.92907	4.9
69.03345	31.1
70.52349	0.9
71.01257	2.4
71.04904	36.6
77.34502	0.9
81.03322	13.3
83.43955	1.1
85.02385	1.5
85.02821	40.8
92.10287	1.1
97.02819	7.0
99.04379	100.0
101.02946	1.0
109.02870	1.9
121.96593	6.2
124.52212	1.0
127.03865	26.3
145.04929	14.5
147.60110	1.1
153.94202	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0599
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
54.96363	0.7
66.40247	0.8
90.59805	0.8
91.05399	19.9
100.04692	1.5
114.47588	0.8
117.05697	5.3
118.06485	100.0
119.06828	2.0
128.04942	1.3
146.05980	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	146.0599
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
50.91831	0.5
51.33359	0.6
62.93349	0.7
64.22948	0.7
67.98733	0.6
73.99550	0.6
78.49654	0.6
84.04453	1.2
85.02782	0.6
89.46706	0.7
91.05399	16.9
93.06501	0.6
117.05709	3.3
118.06483	100.0
119.06852	1.0
128.04953	1.3
146.05984	23.8
146.07065	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0763
Annotation	D-Glutamine
Peak:m/z	Relative Intensity
56.04972	3.3
67.16898	0.2
69.03363	0.2
72.08065	0.3
74.02342	0.2
79.06814	0.2
84.04424	100.0
84.07597	0.5
84.08064	8.5
85.02812	1.7
85.04752	0.6
92.10299	0.4
99.70776	0.2
101.07056	3.1
102.05475	4.4
130.04962	40.5
130.08606	1.4
131.05310	0.4
147.07614	2.2
148.06023	0.3
167.82982	0.3
169.89136	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0804
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
55.01801	0.5
57.59675	0.5
61.64928	0.4
65.43958	0.5
69.03350	0.6
71.53226	0.5
73.04041	0.5
79.05360	0.6
83.04887	0.8
84.04431	4.1
91.05400	15.5
92.10785	0.8
99.10588	0.6
100.46103	0.5
103.05379	0.8
104.06155	0.7
107.04886	6.9
112.54256	0.6
117.06961	5.7
117.76464	0.5
119.08532	29.3
128.06198	1.1
129.06956	3.3
130.04936	0.9
131.04929	2.2
132.05670	18.0
133.06038	0.7
141.69632	0.6
145.06502	1.1
147.08025	100.0
148.08351	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	149.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75922	1.7
65.03857	26.2
65.90298	1.6
72.94120	1.7
88.07487	2.7
93.03325	9.8
95.35203	1.9
108.04418	2.9
108.08070	1.8
111.04372	7.6
116.56784	1.8
121.02814	35.5
121.03913	9.2
149.02312	100.0
149.03510	3.9
150.02621	2.2
150.12750	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	149.0597
Annotation	cis-Cinnamic acid
Peak:m/z	Relative Intensity
53.03879	2.4
64.33279	0.5
69.03325	0.5
69.52438	0.4
69.92278	0.4
77.03824	0.7
79.05404	62.7
80.05724	0.6
84.04427	0.6
85.02895	0.5
85.04760	0.9
91.05401	4.5
92.10540	2.1
93.06962	11.6
95.04891	7.1
102.04578	0.4
103.05398	100.0
104.05724	2.2
105.04460	0.9
105.06980	2.0
107.04893	32.8
116.39629	0.4
121.06445	5.2
131.04866	5.8
149.02296	0.4
149.05954	2.7
149.06987	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03879	1.4
54.36252	0.6
55.01794	1.4
55.05440	0.9
56.04971	2.7
56.96492	3.9
61.01052	1.4
65.03842	4.7
67.95145	0.9
69.03342	4.9
73.06464	1.3
79.05408	12.6
81.03288	0.8
81.06963	0.7
85.04755	3.7
88.07545	1.0
91.05403	33.3
93.03353	0.7
93.06968	21.7
93.07528	1.5
95.04877	4.1
102.05413	1.0
103.05397	3.9
104.05228	1.0
105.06970	25.7
106.07796	1.0
107.04874	1.2
107.08514	3.9
108.04416	1.3
108.08070	6.2
109.06471	3.5
114.05529	0.8
115.05408	4.7
116.06181	16.0
119.08529	4.8
121.02853	5.2
121.06463	14.5
121.09219	1.0
121.10094	29.4
122.05974	0.8
122.10442	0.8
123.08002	4.8
126.05489	1.7
129.06914	5.1
131.08528	19.4
133.07585	1.4
134.07213	1.5
147.08020	3.3
149.02339	10.4
149.09592	100.0
150.07742	0.8
150.10033	2.5
150.12741	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	149.0961
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
52.47091	0.9
53.03881	1.1
55.05445	2.7
56.04966	5.5
56.96505	9.5
57.03358	2.0
58.09747	1.0
59.04919	1.9
61.01076	2.8
65.03857	24.5
67.05417	1.9
67.45229	1.1
67.61655	1.0
69.03326	1.6
69.06979	3.0
71.07297	1.8
79.05409	12.7
81.06985	1.5
84.04432	2.3
85.04753	7.5
88.07552	2.9
90.12600	1.3
91.05399	26.8
93.03329	7.3
93.06974	35.5
95.04911	5.6
95.08508	1.8
104.05254	2.5
105.06967	20.4
106.07756	2.0
107.04900	36.6
107.08528	22.7
108.08042	15.7
111.04401	6.9
116.06183	2.1
118.07928	1.7
119.08528	5.5
121.02824	32.0
121.03904	7.9
121.06499	4.2
121.10097	35.9
123.02020	2.7
123.08013	4.6
131.08524	11.9
131.98450	1.1
149.02312	87.3
149.07079	2.1
149.09595	100.0
149.13223	13.1
150.02634	2.4
150.10057	1.9
150.12735	11.5
167.03177	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0583
Annotation	L-Methionine
Peak:m/z	Relative Intensity
50.09585	0.5
53.02601	0.4
56.04972	100.0
56.96495	0.7
57.03368	0.8
57.05307	1.1
58.99519	0.5
59.37837	0.6
61.01077	69.6
63.14302	0.4
74.02348	8.6
74.05985	7.8
84.04443	3.4
85.02831	3.6
87.02607	13.7
98.97523	0.9
102.05476	19.7
104.05260	61.2
105.00050	0.6
105.03680	2.5
133.03148	40.5
150.05833	6.7
150.07718	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	151.039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01817	6.8
55.57696	0.7
56.04962	1.6
56.96499	100.0
57.03368	21.2
57.05300	1.1
61.01070	1.5
61.02569	1.3
61.02854	31.5
67.05421	1.1
68.02573	1.2
69.03345	13.1
70.35973	0.9
71.01262	1.2
71.04926	1.7
73.02428	1.8
73.02827	43.7
74.00164	0.9
74.97512	5.5
77.00688	4.9
81.03329	5.3
83.00689	9.5
83.01167	1.5
84.01425	1.3
84.95953	5.9
85.02821	22.6
86.01227	4.8
86.97544	1.0
87.04396	4.3
89.00695	2.3
89.05954	1.2
90.01478	10.3
91.02245	4.2
91.03859	5.1
92.01218	20.1
94.51476	1.0
95.04884	1.5
96.01469	9.3
97.00430	1.8
97.02283	1.6
97.02818	16.9
97.96739	1.3
97.99100	7.6
98.01216	27.0
98.97509	71.8
99.01994	7.9
99.97827	1.1
100.00916	1.2
101.00671	4.1
101.01714	1.3
101.52245	1.0
103.52008	5.8
104.01238	12.1
105.01991	11.7
105.05482	1.8
106.00970	5.5
107.01775	7.6
109.02805	4.9
109.05189	4.1
109.51999	1.6
110.00517	1.6
110.01230	29.1
110.51414	1.3
110.52811	2.4
110.97517	8.0
113.01777	7.2
114.02563	1.7
115.52069	1.2
116.00153	5.7
116.02317	1.0
116.98560	46.6
119.01746	58.9
119.51926	3.9
121.31081	1.0
121.51995	1.2
127.03864	7.2
127.57113	1.0
128.02271	67.8
128.52487	1.4
128.98561	17.7
130.52551	4.9
131.00137	1.4
132.90096	0.9
133.04903	5.8
134.99619	28.6
137.02795	26.7
139.53076	7.0
140.00166	4.0
140.98592	1.7
143.00134	1.6
146.99635	17.2
151.08600	1.8
152.05634	6.2
152.06947	7.2
153.00653	2.3
153.04054	1.3
158.01212	7.7
158.99625	5.1
161.01161	2.2
162.99089	2.4
165.00711	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	152.0566
Annotation	Guanine
Peak:m/z	Relative Intensity
54.81671	0.5
55.93417	0.5
56.04965	3.0
56.83130	0.4
56.96497	3.1
63.00643	0.8
69.03342	0.8
80.13919	0.5
86.61047	0.5
90.60464	0.5
92.01220	0.6
98.97517	1.1
109.05174	4.8
110.03469	11.7
112.63827	0.6
116.98577	1.2
119.01874	0.8
128.04506	6.3
128.06836	0.5
134.04573	0.7
134.05997	2.3
134.99648	0.9
135.02980	13.5
146.99649	0.9
152.05650	100.0
152.06964	8.9
153.04041	45.6
154.02477	1.0
161.02887	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0546
Annotation	Vanillin
Peak:m/z	Relative Intensity
55.01811	0.2
55.05455	1.0
56.51455	0.2
56.96503	5.0
57.03382	0.6
60.95766	0.4
64.99149	0.2
65.03863	55.9
66.04191	0.5
67.05421	1.1
69.03346	1.3
79.05415	2.6
81.07004	0.4
83.04895	0.4
87.64449	0.2
91.02274	0.3
92.63880	0.3
93.03330	12.7
93.06985	1.0
95.04890	1.1
95.08516	0.3
97.02798	0.9
97.06462	0.9
99.01992	0.3
99.04391	0.4
104.61971	0.2
104.62651	0.3
105.13896	0.3
107.04881	1.7
107.06042	0.4
107.08542	2.2
110.01241	1.5
110.03609	9.3
111.04388	100.0
112.00813	0.3
112.03996	0.2
112.04741	1.6
113.01778	0.4
116.00172	0.3
116.98639	0.3
119.01777	1.6
121.02818	32.3
122.03107	0.5
125.05950	36.4
126.06322	0.4
127.03815	0.3
129.68555	0.3
134.05931	0.3
135.04346	0.4
135.08064	0.3
138.59814	0.2
140.98581	0.4
142.06641	0.2
142.67590	0.3
153.00665	0.3
153.05447	19.0
153.06564	2.1
153.09027	0.4
153.10188	0.5
154.04901	0.3
158.99603	2.1
163.75598	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1022
Annotation	2814-20-2
Peak:m/z	Relative Intensity
51.28427	1.0
54.03368	1.0
55.05449	1.7
55.81055	1.1
56.96498	9.1
57.03372	1.2
57.14347	1.0
65.03854	1.3
67.02895	8.0
67.05420	7.1
68.04931	1.6
69.03353	9.1
69.04472	1.8
69.17828	1.1
79.05398	5.2
80.04916	5.7
81.05716	6.7
82.06496	20.6
93.05704	5.5
94.06494	27.3
95.04892	2.7
95.07279	8.1
98.97508	6.6
100.07553	10.4
102.40982	1.3
102.96788	1.2
106.06430	1.4
107.04874	2.4
107.06007	5.0
107.07307	2.0
108.08062	47.7
109.02824	1.8
109.07531	1.5
116.98567	6.6
119.01775	2.2
119.06052	2.2
120.06812	5.3
126.09121	42.3
133.07567	2.5
134.99619	7.6
135.04395	1.2
135.09140	88.4
153.05423	5.2
153.06599	2.4
153.10205	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00238	4.1
53.03887	3.2
53.36383	1.8
55.05457	17.8
56.96248	2.4
56.96504	39.6
57.03366	5.4
59.04634	1.6
59.04926	9.2
63.50635	1.8
65.03851	5.2
67.05433	2.7
68.91349	2.2
69.03346	13.3
69.06985	14.9
71.04910	42.1
71.94028	2.0
71.95179	3.9
73.06478	23.9
76.12818	2.1
79.05400	31.0
80.04932	3.3
81.03311	2.1
81.06974	100.0
81.07450	3.8
83.04881	2.5
87.04401	2.4
91.01247	2.0
91.05399	9.1
92.11027	3.8
93.06975	44.0
95.04887	9.1
95.08512	8.5
95.52576	2.2
97.02834	3.9
97.06445	9.9
97.31813	1.9
105.02023	5.3
105.06992	2.4
107.04897	7.9
107.08534	33.2
108.08080	2.8
109.10120	3.7
110.01235	10.6
111.04395	9.3
111.08038	8.4
113.01740	2.5
116.00168	2.5
119.01733	9.8
125.05924	4.3
134.99623	2.2
135.04317	3.5
135.11662	30.6
136.07593	4.4
140.98576	4.1
150.50052	2.1
153.05499	5.4
153.06586	15.5
153.09085	3.4
153.10222	11.1
153.12741	16.6
154.05034	2.1
154.08574	4.7
158.99603	12.5
161.01236	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.19080	1.2
52.34104	1.3
53.00246	6.1
53.03886	3.3
54.81189	2.0
55.01796	3.7
55.05454	24.2
56.96506	30.5
57.03361	4.0
57.07011	2.1
58.69341	1.6
59.04924	7.7
65.03857	8.3
67.05431	16.9
69.03334	10.0
69.06993	12.7
71.04908	46.4
71.95161	2.3
73.06467	20.0
73.81671	1.5
79.05413	38.0
81.03327	9.3
81.06976	100.0
83.04876	7.5
87.04368	1.7
91.05413	15.8
93.03338	1.7
93.06973	40.6
95.04892	9.5
95.08522	9.8
97.02812	3.9
97.06442	7.5
98.01256	1.9
99.04382	2.2
105.01998	3.1
105.06969	9.4
107.04878	3.2
107.08541	53.1
108.08083	2.2
109.06441	7.3
109.10090	10.3
110.01234	3.8
111.04387	9.2
111.08005	3.6
116.03029	1.9
116.98550	1.8
117.06996	1.6
119.01742	8.2
124.52576	3.7
125.05957	6.8
125.09588	5.5
126.09143	2.1
134.09917	1.5
135.04370	5.6
135.08034	3.6
135.09163	1.6
135.11652	24.9
136.07550	2.7
140.98621	2.5
153.05402	7.1
153.06566	10.4
153.09076	2.0
153.10202	3.1
153.12711	16.2
154.08609	2.0
158.99583	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	154.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84953	0.9
53.03879	1.5
53.24707	0.9
55.01812	100.0
55.05450	78.2
56.96249	1.3
56.96501	31.3
57.03349	2.0
60.49055	0.8
64.33366	1.0
67.05419	1.9
69.03327	3.5
71.04922	1.0
71.93994	1.5
71.95182	7.2
72.04071	1.3
72.04431	23.5
72.93703	10.2
76.56490	1.2
79.39065	1.0
80.04923	1.6
81.03313	1.6
81.06950	1.5
83.08538	23.3
84.03951	1.9
84.04423	48.5
86.52601	5.9
87.04343	1.0
90.94717	2.3
91.02247	1.4
93.44728	1.0
94.06509	1.3
94.42496	1.1
95.04855	1.2
95.53133	6.7
96.01471	1.6
97.02814	4.0
97.60291	0.9
97.99084	0.9
99.04339	1.4
100.03944	0.9
100.11179	45.0
102.02390	1.1
104.01147	3.1
105.01997	1.6
108.08050	4.2
110.01221	4.4
110.05975	1.0
112.07544	1.4
113.01707	2.1
113.96319	1.8
116.00107	1.0
118.03487	1.4
119.01795	7.2
124.52487	3.6
126.05462	1.8
126.09169	0.9
128.02263	1.4
130.52531	1.2
131.01880	4.6
131.97414	7.7
136.07565	7.2
137.02905	1.3
138.01750	1.4
140.98541	5.7
142.03448	4.1
154.03513	1.1
154.04936	4.6
154.08565	7.2
154.09653	2.3
154.12198	11.8
158.99602	11.3
160.04443	1.0
161.02911	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	154.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	2.1
54.94826	1.2
55.01812	8.8
55.05450	100.0
56.96498	32.1
57.03366	2.7
57.06998	8.4
62.66740	1.1
63.50633	1.0
67.05423	2.9
69.03365	9.9
69.06989	19.0
70.06507	16.6
71.94020	1.9
71.95171	6.4
72.08054	9.3
72.93699	11.8
80.04925	1.9
81.03333	2.9
81.06957	2.0
83.04897	12.3
84.08057	7.3
86.52611	2.2
90.94729	2.6
94.06463	1.8
95.04894	1.9
95.53150	6.5
96.01451	1.4
97.02814	6.5
97.99138	1.8
98.05988	8.3
99.02040	1.6
100.02409	1.3
100.07530	10.3
104.01210	2.0
105.02000	2.5
106.03713	1.3
108.08054	2.4
110.01240	7.5
112.07543	32.7
112.24837	1.3
113.01743	3.1
113.96341	2.8
115.52074	1.4
116.00165	1.4
119.01784	11.8
120.02472	1.6
124.52559	2.5
124.59840	1.3
125.09599	2.1
126.09055	1.3
128.02260	1.8
131.97401	6.3
136.07536	14.9
140.98560	6.7
142.03485	5.0
154.04909	2.0
154.08603	10.4
154.09692	2.3
154.12230	47.5
158.99611	12.1
173.01259	1.5
174.43192	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1066
Annotation	(2E)-2,6-Dimethyl-2,5-heptadienoic acid
Peak:m/z	Relative Intensity
53.00248	1.2
53.03889	1.1
55.01820	1.0
55.05450	14.3
56.96503	9.8
57.03380	9.5
57.07002	1.4
57.28375	0.6
59.04914	1.0
59.08672	0.6
60.95790	0.8
65.03854	1.1
67.05424	89.9
69.03349	9.0
69.06976	6.5
70.95785	0.8
71.04906	11.2
72.93705	13.0
79.05407	12.5
81.06972	64.1
81.58453	0.8
82.07304	1.1
83.04913	0.9
85.02810	1.0
85.06460	3.6
86.52596	2.9
87.02707	0.7
90.94741	3.6
91.05413	3.2
93.06955	1.8
94.07716	0.8
95.04884	7.2
95.08520	14.6
95.53138	2.9
97.02815	0.9
97.06458	6.5
99.04375	10.6
99.08023	4.1
100.02429	1.4
102.02194	0.8
103.02336	0.7
107.08495	3.8
108.95794	1.4
109.06457	3.5
109.10102	100.0
110.05949	1.3
110.07116	4.9
110.10494	1.2
111.04390	1.6
111.48523	0.7
113.05933	1.8
113.96355	4.1
114.09119	1.8
118.03456	1.7
119.08508	1.3
119.41870	0.8
121.01482	1.2
127.07573	1.2
131.01845	1.0
131.97401	7.3
137.05933	4.1
137.09599	8.5
138.01859	5.8
138.05411	0.9
142.03436	1.5
150.96858	4.6
155.06969	1.7
155.08112	1.0
155.10649	1.6
156.02974	1.3
156.06477	0.8
160.04596	1.0
161.02908	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1066
Annotation	Boschnialactone
Peak:m/z	Relative Intensity
51.28767	0.5
53.03876	0.6
55.01796	0.7
55.05190	1.0
55.05447	23.0
55.40467	0.5
56.73554	0.5
56.96503	7.2
57.03371	4.5
57.07013	0.5
59.04927	6.5
65.03842	1.0
67.05421	44.8
68.04947	0.5
68.05725	0.6
69.03322	2.2
69.06971	3.4
70.03121	0.5
70.95771	2.6
71.04903	42.7
72.93696	13.5
79.05393	3.2
81.03337	1.1
81.06976	11.4
83.04887	2.4
83.06004	0.8
84.04446	1.0
85.06462	2.6
85.65644	0.5
86.52612	1.1
90.94749	3.9
91.05402	3.0
93.06971	7.8
95.04897	8.8
95.08527	100.0
95.53123	0.7
96.08842	1.1
97.06464	0.6
99.04413	1.0
107.08540	0.7
108.05936	0.5
108.95757	1.0
109.02813	0.8
109.06470	4.7
109.10097	32.0
110.07094	3.7
111.04336	0.6
113.05936	9.5
113.09584	2.4
113.96339	4.4
118.03461	0.6
119.01849	0.7
119.08569	0.9
123.04359	0.6
129.99429	0.9
131.01846	1.1
131.97401	6.7
132.95807	1.2
137.05934	2.5
137.06966	0.8
137.09592	6.0
137.98372	1.0
138.01817	2.2
138.05385	0.8
142.03468	1.0
150.96846	7.0
155.06979	2.7
155.10635	1.1
174.20229	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0767
Annotation	L-Histidine
Peak:m/z	Relative Intensity
56.04966	0.6
67.41933	0.2
68.04943	1.0
81.04442	0.3
81.65122	0.2
82.05242	3.3
83.06028	12.0
84.08041	0.2
87.35876	0.2
92.10207	0.3
93.04458	8.4
95.06023	8.7
97.17188	0.2
110.07117	100.0
111.05538	0.3
111.07464	0.9
113.85885	0.2
119.01865	0.5
137.02985	0.3
154.38231	0.3
155.82399	0.3
156.04279	0.4
156.07666	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	156.1382
Annotation	2-Propanone, 1-[(2R,6R)-6-methyl-2-piperidinyl]-
Peak:m/z	Relative Intensity
53.00261	0.5
55.05441	1.5
56.96506	12.1
57.07013	100.0
65.63474	0.5
69.06992	1.0
72.08092	0.7
74.22527	0.6
74.47958	0.5
74.93076	2.6
74.93732	1.0
82.33906	0.7
83.04886	0.7
83.06009	0.7
85.06470	3.1
97.99113	0.6
100.07552	9.1
110.02428	0.9
110.05973	0.8
110.07111	4.5
114.09114	0.8
116.00160	1.3
124.52501	0.7
137.76932	0.7
139.59239	0.6
150.96855	1.4
156.08067	2.7
156.13818	39.0
158.07968	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97420	0.8
53.00234	1.7
55.05433	1.3
56.96274	1.1
56.96505	14.4
66.59628	0.7
71.08547	100.0
71.61507	0.7
74.93063	1.5
74.93737	1.1
86.05934	1.0
102.20098	0.9
108.95634	1.0
110.05972	1.1
110.07113	6.0
114.09082	4.2
114.12785	0.9
115.03890	0.9
116.00133	1.4
128.36011	0.9
132.95766	1.1
140.05971	0.8
150.96906	1.1
156.08029	0.9
156.13838	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	156.1382
Annotation	2-Propanone, 1-[(2R,6R)-6-methyl-2-piperidinyl]-
Peak:m/z	Relative Intensity
53.00261	0.5
55.05441	1.5
56.96506	12.1
57.07013	100.0
65.63474	0.5
69.06992	1.0
72.08092	0.7
74.22527	0.6
74.47958	0.5
74.93076	2.6
74.93732	1.0
82.33906	0.7
83.04886	0.7
83.06009	0.7
85.06470	3.1
97.99113	0.6
100.07552	9.1
110.02428	0.9
110.05973	0.8
110.07111	4.5
114.09114	0.8
116.00160	1.3
124.52501	0.7
137.76932	0.7
139.59239	0.6
150.96855	1.4
156.08067	2.7
156.13818	39.0
158.07968	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1383
Annotation	2-Propanone, 1-[(2R,6R)-6-methyl-2-piperidinyl]-
Peak:m/z	Relative Intensity
55.01811	46.9
55.05441	2.0
56.96507	12.9
57.07014	14.5
64.29779	1.0
66.94013	1.0
68.80687	0.8
69.03339	1.1
69.06977	1.3
72.04429	92.8
74.93063	6.1
74.93711	1.0
82.06525	1.0
85.10093	1.8
92.01213	0.9
100.11185	1.2
102.12756	6.7
110.05963	2.0
110.07101	4.6
113.01756	1.4
152.49451	1.1
156.13808	100.0
157.14154	1.5
167.83736	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98561	0.6
55.26320	0.4
56.96501	24.4
71.95171	1.0
86.08292	0.4
98.97513	100.0
116.98565	98.6
124.67754	0.5
134.99622	69.0
140.00188	1.0
153.00687	14.4
153.17102	0.4
158.01212	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0915
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
51.55553	0.9
54.81554	1.1
56.96526	1.2
58.30005	1.1
68.12617	1.1
73.29234	1.1
77.44848	1.3
86.35507	1.3
98.97489	1.7
115.05412	24.6
116.98561	1.6
117.05722	20.0
118.06487	14.2
130.06476	33.7
131.06792	2.7
132.08051	100.0
133.08386	2.5
134.99661	1.6
140.05040	1.8
142.06511	26.8
158.08382	1.6
159.09146	76.1
160.07559	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14018	0.3
52.98188	0.3
53.57151	0.3
56.96474	0.3
72.08069	1.4
75.64849	0.3
82.07883	0.3
90.34264	0.4
90.36513	0.4
101.00813	8.9
102.00900	0.6
116.98526	0.4
119.01872	100.0
120.01949	13.0
121.01627	0.6
128.43626	0.3
133.03441	0.5
137.02927	58.0
137.99895	0.4
138.03023	6.3
142.03485	2.0
143.03596	5.9
160.04544	0.8
161.02951	2.2
161.04691	3.0
162.04242	0.4
173.46519	0.3
179.03961	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	161.1322
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.01468	0.5
55.05452	6.6
56.96482	0.5
57.01846	0.6
68.83022	0.4
79.05386	0.8
81.52323	0.6
91.05392	9.1
92.10875	1.2
93.07000	0.8
97.02821	0.8
103.05435	0.6
105.06969	8.6
117.06940	3.0
119.01852	1.0
119.08521	100.0
120.01991	0.5
120.08841	2.4
121.10068	0.9
131.08505	1.0
133.06566	0.5
133.10075	9.4
161.13205	9.0
172.51955	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.06
Annotation	2-Hydroxyadipate
Peak:m/z	Relative Intensity
53.00251	1.0
53.03887	9.1
55.01808	17.3
55.05453	3.0
55.43165	0.8
56.04965	0.7
56.96491	3.8
57.03097	1.5
57.03368	28.8
59.04922	4.3
61.01094	0.7
61.02851	17.8
62.92914	1.7
69.03344	100.0
71.01259	3.1
71.04903	13.4
73.02822	24.0
75.04390	0.8
81.03332	22.8
83.01259	3.2
83.04905	1.8
85.02821	74.2
85.06511	0.7
86.03120	0.8
87.04388	8.5
91.03838	0.8
92.01229	0.7
97.02817	26.7
98.97505	1.1
99.04382	32.2
99.04993	1.5
101.02313	17.8
103.03891	3.8
109.02846	3.9
115.03865	4.2
117.05427	11.5
118.06502	1.0
121.96609	3.6
127.03849	12.6
128.02321	0.8
145.04926	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0599
Annotation	(S)-2-(Hydroxymethyl)glutarate
Peak:m/z	Relative Intensity
51.94947	0.8
52.06190	0.8
53.00259	0.8
53.03885	8.4
55.01808	14.0
55.05443	1.2
55.80349	0.8
56.96503	10.5
57.03371	25.8
59.04939	10.5
60.94460	1.0
61.02856	20.2
61.33648	1.0
61.61031	0.8
62.92916	1.3
63.34764	0.8
69.03346	100.0
70.01682	0.8
71.01281	1.8
71.04906	12.1
73.02826	22.6
75.04393	1.5
81.03328	23.3
83.01254	1.1
83.04877	1.9
85.02824	85.5
86.03156	0.9
87.04395	9.2
97.02818	34.2
98.01212	1.2
98.75960	0.9
98.97513	6.8
99.04391	24.3
100.04777	1.0
101.02320	13.5
103.03883	1.5
105.01733	0.9
109.02826	6.3
115.03890	3.8
116.98557	1.4
117.05427	9.9
121.96590	4.4
125.51496	0.9
127.03868	15.0
128.98596	1.6
133.01677	1.1
134.99646	1.7
137.02863	1.0
145.05006	1.7
157.04272	1.8
174.99358	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.06
Annotation	2-Hydroxyadipate
Peak:m/z	Relative Intensity
53.03883	6.9
54.81924	0.7
55.01807	16.8
55.05434	1.0
56.96501	5.5
57.03370	30.7
59.04926	3.6
60.39580	0.6
61.01087	1.1
61.02856	18.6
62.92918	3.9
69.03347	100.0
70.03677	1.1
71.01260	1.9
71.04916	9.9
73.02827	24.0
75.04377	1.0
75.18454	0.7
80.60604	0.8
81.03332	22.6
83.01270	1.8
83.04901	1.7
85.02822	84.5
87.04380	8.1
87.27671	0.8
91.03877	1.0
92.10889	0.8
97.02815	32.1
98.03136	1.0
98.97524	3.0
99.04385	30.3
100.02514	0.8
101.02320	17.1
103.03846	3.2
109.02826	5.3
110.13494	0.8
115.03892	4.0
116.98553	0.8
117.05439	13.4
118.03498	0.9
119.01846	0.9
121.96606	7.4
127.03879	16.7
145.04915	2.9
151.31142	0.8
161.02872	0.8
161.62918	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
53.03894	4.9
55.01820	4.1
55.05439	2.3
56.96502	10.2
57.03374	13.0
57.07008	2.9
61.02855	8.6
62.80516	0.4
64.33726	0.6
69.03351	49.4
71.01266	0.9
71.04903	8.8
72.32918	0.5
73.02834	10.5
75.04401	1.3
79.05390	0.7
81.03340	10.8
82.70245	0.6
83.00683	3.3
83.01212	0.8
83.04896	3.7
83.46050	0.5
85.02831	19.0
87.04398	5.1
89.05930	1.0
91.03909	0.6
91.05404	0.7
92.01228	5.8
94.51513	0.8
95.04910	2.1
97.02811	8.2
98.97500	7.1
99.04392	20.4
100.02395	2.5
101.02309	5.4
102.04603	2.7
103.03899	3.3
103.05405	100.0
103.52007	2.8
104.05723	2.3
105.02032	0.9
105.06979	0.7
105.66760	0.5
107.04911	0.7
107.08522	0.6
109.02806	0.9
114.02545	0.7
115.03880	1.1
116.98590	5.4
117.05447	10.0
117.06921	0.7
118.03479	3.3
119.01759	1.1
120.04553	0.6
127.03881	5.5
128.02275	1.0
128.98582	1.0
130.04091	1.2
131.04898	86.1
132.05205	1.2
134.99641	2.1
135.19867	0.5
139.53142	0.6
146.99638	2.9
148.05165	7.3
158.99689	0.8
163.03838	1.2
163.07515	20.7
164.07018	0.8
177.00731	2.9
178.01013	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02298	0.2
53.03881	2.3
53.93225	0.2
54.50149	0.3
55.01809	1.1
55.05443	0.6
56.96503	4.2
57.03368	4.3
57.07010	1.2
61.02853	3.6
61.50441	0.2
69.03343	18.3
71.01275	0.5
71.04893	2.8
73.02817	4.3
75.04401	0.4
79.05373	0.4
80.16621	0.3
81.03326	4.5
81.06919	0.3
83.00698	1.3
83.01202	0.4
83.04881	0.6
85.02820	7.3
87.04404	1.7
89.05939	0.3
92.01212	1.6
95.04865	2.5
97.02826	3.7
98.97493	2.2
99.04370	6.6
100.02433	0.4
101.02322	1.3
102.04631	1.1
103.05394	100.0
103.52006	1.2
104.05730	1.7
105.01998	0.6
107.04903	0.3
109.02812	0.5
114.02534	0.4
115.03879	0.5
116.98561	1.7
117.05431	4.3
118.03464	0.6
119.01764	0.4
127.03854	2.2
128.02280	0.6
128.98553	0.4
130.04128	1.7
131.04883	76.5
132.05193	2.1
134.99632	0.5
139.53098	0.3
145.04982	0.3
146.99614	0.6
148.05153	4.1
162.80275	0.3
163.03889	0.5
163.07495	9.7
163.08798	0.5
165.00670	0.3
177.00644	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0752
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.83393	0.2
53.03874	1.8
55.00649	0.2
55.01814	1.1
55.05439	0.5
56.60885	0.2
56.96497	4.2
57.03186	0.2
57.03371	3.3
57.07000	1.4
59.57822	0.2
61.02847	3.6
69.03345	12.9
71.04900	1.8
73.02822	4.2
76.48909	0.3
79.05397	0.3
81.03342	3.3
83.00693	1.2
83.01241	0.3
83.04914	0.4
84.95940	0.3
85.02339	0.5
85.02819	6.5
87.04372	1.2
88.02610	0.3
89.05945	0.5
91.03888	0.3
91.05403	0.3
92.01208	2.2
95.04890	1.8
96.43904	0.3
97.02814	1.9
97.34837	0.3
98.97513	3.1
99.04379	5.8
100.02400	1.7
101.02325	0.5
102.04668	0.3
103.05395	100.0
103.52009	0.5
104.05727	1.8
105.02000	0.7
107.04884	0.6
109.02831	0.6
110.97504	0.3
114.02534	0.4
116.63737	0.3
116.98566	1.6
117.05418	3.1
118.03443	1.4
119.01790	1.4
121.96547	0.3
127.03845	1.2
128.02264	0.6
128.98543	0.6
131.04881	71.0
132.05228	1.7
134.99640	0.5
135.04329	0.3
135.26866	0.3
145.04895	0.6
146.99590	1.8
157.92261	0.3
158.99579	0.6
163.03862	0.6
163.07495	4.8
164.36592	0.3
165.00618	0.3
177.00616	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	163.1115
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03882	8.4
55.01803	9.7
55.05439	12.2
56.96494	14.5
57.03369	16.5
57.07001	10.2
61.02850	15.0
65.03848	2.1
69.03345	75.9
71.01269	2.7
71.04900	10.8
73.02823	17.3
75.18327	1.6
78.58396	2.0
79.05401	16.8
81.03323	20.8
81.06990	2.2
85.02826	35.1
87.04381	7.8
89.05934	3.5
91.05400	28.0
92.01237	14.4
93.06962	55.8
95.04892	7.8
97.02841	13.1
98.01241	2.4
98.97504	14.8
99.04381	33.5
100.02378	2.8
100.51437	1.7
101.02338	7.2
103.03894	2.9
103.05397	23.6
103.52018	4.4
105.02016	2.1
105.04420	2.7
105.06958	23.0
107.04918	2.5
107.08530	100.0
109.02789	1.8
109.06493	7.8
112.12663	1.7
115.03853	2.0
116.98560	10.2
117.05434	17.5
117.06952	3.9
118.03463	6.5
119.06047	2.3
119.08544	14.3
120.09378	3.2
121.10095	10.4
127.03859	7.0
128.98573	2.2
131.04869	21.8
133.07260	1.7
134.99530	2.6
135.11647	96.1
145.09999	2.4
146.99637	3.1
163.07437	3.4
163.11159	12.0
164.16290	1.7
174.40846	2.0
177.00639	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	163.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00237	1.3
53.03880	1.6
55.01808	1.9
55.05451	32.4
56.96504	19.1
57.03372	8.4
57.07010	100.0
59.04916	1.8
61.02855	9.6
69.03007	1.2
69.03349	24.7
71.04895	3.7
73.02828	6.9
81.03349	7.5
83.00685	4.4
83.04855	1.0
83.08541	6.9
84.95906	1.0
85.02812	12.3
87.04391	1.9
89.05951	46.3
92.01217	10.3
94.23581	0.9
96.07403	1.0
97.02809	4.1
98.97517	11.8
99.04377	9.5
100.02414	7.4
101.01698	1.2
101.02312	1.5
101.09589	10.0
103.05391	17.8
103.52001	4.8
103.74621	0.9
105.02013	2.1
107.06997	9.9
109.02814	1.0
110.97521	1.4
114.02536	1.6
116.00232	1.0
116.98578	6.7
117.05408	5.7
118.03460	7.1
119.00118	1.9
119.01737	5.2
127.03822	1.5
128.02269	2.2
128.98537	4.3
131.04901	11.8
134.99580	4.0
137.01236	1.4
146.99623	3.4
158.01227	1.2
158.14386	1.0
158.99620	3.5
163.02744	1.7
163.07520	1.9
177.00658	4.7
181.03804	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	163.148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00019	0.8
51.02327	1.0
51.46664	1.0
53.03888	13.8
55.01810	13.5
55.05457	8.7
55.05673	1.2
55.64547	1.0
56.96242	1.3
56.96499	30.0
57.03367	29.2
57.07005	11.2
61.02849	14.5
67.05430	1.8
69.03342	100.0
69.06982	7.4
71.01247	4.3
71.04896	13.2
73.02824	25.7
74.97530	1.0
75.04425	1.3
77.69477	1.1
79.05407	12.1
81.03329	27.5
81.06977	8.2
82.03648	0.9
83.00694	10.7
83.01167	1.9
83.04888	4.6
83.08519	1.3
84.95950	1.6
85.02821	42.8
85.07633	1.3
86.03140	1.2
86.95468	0.9
87.04391	11.5
89.05930	2.2
91.05381	9.9
92.01223	22.2
92.02554	2.0
92.10781	1.2
93.06973	12.4
94.51479	2.0
95.04883	19.1
95.08514	7.6
96.01473	1.9
97.02825	15.5
97.99099	1.4
98.01195	2.2
98.97504	16.9
99.01970	1.3
99.04375	40.5
100.02397	15.4
101.01728	2.1
101.02316	6.6
103.03879	5.2
103.05392	98.2
103.52019	13.7
104.05772	1.8
105.01992	7.1
105.03307	4.9
105.04453	4.7
105.06973	4.8
107.04868	4.1
107.08527	37.3
108.08839	1.1
109.02820	4.6
109.52061	1.3
109.91312	0.9
110.01231	2.6
110.97537	2.1
114.02546	4.7
115.03863	1.7
115.05396	1.2
116.98568	11.8
117.05443	19.3
118.03457	15.1
119.01768	8.8
121.10080	12.6
121.96581	1.1
127.03861	8.9
128.02222	7.6
128.98563	7.0
131.04883	77.4
131.54222	1.3
132.05209	1.7
133.02794	11.6
134.99612	9.3
135.04358	16.8
135.07991	2.3
135.11638	4.4
137.98460	1.2
139.53001	1.8
142.03499	1.8
145.04933	1.4
146.08072	1.1
146.99628	8.2
158.01239	5.1
158.99638	2.5
163.02574	1.8
163.03856	37.0
163.07457	9.3
163.11150	2.2
163.14735	15.0
164.04259	1.1
164.07030	5.3
165.00706	1.3
174.82043	1.2
177.00687	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	165.0546
Annotation	2-Hydroxy-3-phenylpropenoate
Peak:m/z	Relative Intensity
53.03875	3.9
54.50384	0.8
54.82049	0.7
64.43559	0.8
65.39744	0.8
76.55850	0.9
76.92815	0.9
77.03839	1.1
77.36754	0.8
79.64788	0.9
87.99207	0.9
91.05399	20.6
92.10257	0.9
93.06966	1.3
95.04890	98.7
97.79226	1.0
103.05400	6.2
103.11467	0.8
109.06410	1.7
119.01884	11.0
119.04887	46.7
121.06483	1.4
123.04376	100.0
137.02921	3.6
137.05928	1.2
142.03461	3.9
145.92613	1.0
147.04384	12.2
160.04549	1.3
162.13492	1.0
165.05432	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	165.0545
Annotation	trans-3-Hydroxycinnamate
Peak:m/z	Relative Intensity
57.83451	1.0
62.39500	1.3
67.05388	1.2
75.07230	1.1
91.05402	41.3
115.16171	1.2
116.91996	1.3
118.00913	1.1
119.01869	37.2
119.04890	74.8
120.08019	5.3
120.61658	1.1
122.24451	1.4
123.04376	1.3
124.08629	4.7
127.00456	1.2
137.02916	33.1
142.03459	18.3
147.04382	100.0
160.04477	8.9
162.47229	1.1
164.14307	5.9
165.10196	2.7
165.14650	6.6
166.08511	1.4
169.02293	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0908
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
52.88133	3.7
58.68341	4.6
62.80336	5.3
65.97783	5.1
67.05421	7.5
68.56649	5.6
70.06519	5.8
80.89490	4.9
80.94742	5.5
83.06030	10.2
109.10094	8.3
113.15502	5.8
120.08057	27.1
124.08701	52.3
136.10738	9.8
137.09605	30.5
150.12369	6.1
156.57007	6.1
158.44978	5.7
165.09077	71.9
165.10233	7.9
165.14691	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81733	0.9
55.05444	5.3
55.77123	0.9
56.85247	0.7
56.96492	1.2
57.03365	0.9
67.05424	35.7
69.03336	1.1
69.06983	1.6
69.23710	0.7
71.76392	0.9
79.05408	3.9
81.06974	15.1
90.27102	0.8
91.05398	7.4
93.06988	6.7
94.07755	1.1
95.04897	6.5
95.08541	8.2
100.02414	1.4
101.00801	8.2
101.02512	1.0
103.05404	1.0
105.06960	4.6
107.08521	1.5
109.06467	2.0
109.10096	32.0
113.11621	0.9
119.01869	100.0
119.03604	2.2
119.04911	3.7
119.08517	5.8
120.01939	3.7
120.08047	6.3
121.10091	1.7
128.63771	1.1
134.89291	0.9
137.02927	56.6
137.09584	57.1
142.03470	36.4
143.03558	1.3
143.08405	1.0
147.04395	5.5
160.04503	23.1
165.09084	4.9
168.99178	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0909
Annotation	Phenethyl acetate
Peak:m/z	Relative Intensity
53.03882	1.4
53.07737	0.6
55.01800	4.0
56.96505	5.5
60.04456	0.8
61.35612	0.6
65.03845	1.3
67.05424	0.8
69.03349	2.9
76.51480	0.8
76.71294	0.7
79.05403	16.0
81.03340	1.1
81.06964	3.1
85.00317	0.6
85.02826	0.7
85.52023	6.2
91.05396	9.5
91.51009	0.7
94.52586	0.8
95.04905	5.6
95.05968	0.9
95.08499	0.9
100.02428	0.8
100.97361	0.6
101.00800	8.4
101.02490	1.1
103.05395	7.5
105.06971	60.5
106.07311	1.0
107.04888	3.9
109.06437	3.4
111.04424	0.8
118.03451	0.8
119.01873	100.0
119.04889	12.5
119.08491	0.6
119.54109	1.4
120.01984	3.5
120.04205	0.8
120.08062	10.6
122.03566	6.5
124.02396	0.8
124.05134	1.4
131.04887	0.8
133.02780	4.2
133.06453	35.3
134.01193	1.0
137.02930	61.4
137.05940	58.7
138.03006	1.6
142.02345	1.4
142.03470	43.7
143.03557	1.4
147.04382	20.2
150.06708	1.0
160.04518	25.8
161.04720	1.0
165.05333	2.9
165.09056	15.4
165.10252	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0909
Annotation	Phenethyl acetate
Peak:m/z	Relative Intensity
53.03882	1.4
53.07737	0.6
55.01800	4.0
56.96505	5.5
60.04456	0.8
61.35612	0.6
65.03845	1.3
67.05424	0.8
69.03349	2.9
76.51480	0.8
76.71294	0.7
79.05403	16.0
81.03340	1.1
81.06964	3.1
85.00317	0.6
85.02826	0.7
85.52023	6.2
91.05396	9.5
91.51009	0.7
94.52586	0.8
95.04905	5.6
95.05968	0.9
95.08499	0.9
100.02428	0.8
100.97361	0.6
101.00800	8.4
101.02490	1.1
103.05395	7.5
105.06971	60.5
106.07311	1.0
107.04888	3.9
109.06437	3.4
111.04424	0.8
118.03451	0.8
119.01873	100.0
119.04889	12.5
119.08491	0.6
119.54109	1.4
120.01984	3.5
120.04205	0.8
120.08062	10.6
122.03566	6.5
124.02396	0.8
124.05134	1.4
131.04887	0.8
133.02780	4.2
133.06453	35.3
134.01193	1.0
137.02930	61.4
137.05940	58.7
138.03006	1.6
142.02345	1.4
142.03470	43.7
143.03557	1.4
147.04382	20.2
150.06708	1.0
160.04518	25.8
161.04720	1.0
165.05333	2.9
165.09056	15.4
165.10252	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1273
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
51.28475	0.9
53.03879	2.4
55.01789	1.2
55.05442	1.6
56.96509	21.2
57.40018	0.9
65.03822	0.9
67.05424	11.5
67.38353	0.8
68.61408	1.1
69.03347	2.5
69.06989	1.8
71.04900	1.3
73.62205	0.9
79.05396	10.5
81.06978	23.6
83.04888	1.6
85.64364	1.0
91.05408	19.3
93.06972	16.3
95.04893	15.4
95.08538	8.0
97.06431	1.4
100.99095	1.4
101.00820	10.9
101.02483	2.3
103.05390	1.0
105.02684	1.9
105.03344	41.0
105.04408	2.1
105.06970	24.6
106.03680	4.9
107.08530	6.3
109.06445	2.0
109.10141	1.8
118.03454	1.9
119.00153	16.7
119.01877	100.0
119.04871	6.4
119.08520	17.1
120.02006	4.1
120.08055	6.9
121.10101	17.9
123.11631	4.4
137.01295	10.7
137.02928	55.2
138.03012	1.5
142.03479	43.7
147.04379	9.6
147.11682	25.0
155.02266	1.5
160.03065	2.2
160.04523	28.6
165.12703	15.9
175.50212	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	3.3
54.04206	0.7
55.01794	0.9
55.05436	1.7
56.96499	24.0
57.03351	1.0
64.60021	0.6
66.27225	0.7
67.05421	7.7
69.03334	1.8
69.06965	1.3
75.96719	0.7
79.05400	8.9
81.06505	1.1
81.06970	21.5
82.99718	0.8
83.04895	1.4
91.05402	12.0
93.06976	10.7
94.62396	0.8
95.04887	12.7
95.08513	7.5
100.02408	1.5
100.99059	4.4
101.00803	8.6
101.02486	1.3
102.02186	0.9
103.05415	1.3
105.03329	43.1
105.06967	17.0
106.03676	5.9
107.08539	5.7
109.06453	1.0
109.10077	4.3
110.01231	0.9
118.03475	1.1
119.00127	13.7
119.01867	100.0
119.03543	4.2
119.04855	6.0
119.08530	10.1
120.01966	4.9
120.08033	5.4
121.10097	14.6
123.11650	3.1
134.27339	0.8
137.01273	11.8
137.02914	54.0
138.03014	1.4
142.03474	42.2
143.03532	1.3
145.10081	0.9
147.04326	6.6
147.11655	19.1
155.02222	1.5
160.02849	4.6
160.04495	20.8
165.05104	3.5
165.12698	12.9
166.08530	1.1
166.09746	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03867	1.2
54.81696	1.0
55.01795	1.0
55.05220	0.8
55.05445	12.3
56.96501	13.9
57.03372	0.8
67.05399	0.9
69.03337	0.8
70.06493	1.3
72.13450	0.7
74.02983	0.8
78.04632	1.1
79.05379	4.3
80.04946	1.7
81.06951	4.4
82.06464	1.0
83.08555	1.4
84.95948	1.2
89.44453	0.7
91.05373	1.9
93.06954	3.9
95.04857	1.4
95.05999	4.1
96.04393	0.8
102.00851	0.9
102.02164	3.0
103.05396	14.4
107.04895	6.1
108.04478	1.0
109.02235	1.1
109.06453	0.8
119.01865	13.8
120.01941	32.2
120.03227	1.7
120.04388	1.2
120.08049	100.0
121.01584	8.3
121.06435	0.9
121.07595	1.1
123.01981	1.1
123.04391	3.6
125.02409	1.0
125.07545	1.4
128.97769	0.9
131.04886	0.8
134.08069	1.7
136.07559	1.3
137.02910	9.8
137.98274	6.0
138.03020	28.7
138.05411	1.9
138.09155	0.8
138.10202	4.4
139.02672	7.3
142.03477	3.2
142.98674	1.0
143.03587	17.4
143.08633	48.5
143.58749	16.2
144.03218	5.0
148.04825	1.0
148.07564	1.0
149.49162	1.1
150.06073	1.3
152.09163	29.7
152.59251	7.4
154.59433	19.5
155.09509	4.9
160.04549	1.2
160.08148	1.4
161.04678	12.3
162.04240	3.0
166.04961	5.2
166.08533	8.2
166.09729	12.1
167.06975	14.8
178.09181	3.5
185.07660	8.6
186.06142	2.2
186.07683	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14074	12.9
56.88134	11.7
58.09787	11.7
69.03337	100.0
75.43528	17.2
81.03319	30.1
89.05943	56.1
109.02812	24.3
124.55125	13.9
127.03870	16.0
137.87437	15.2
150.05438	28.3
168.06488	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	168.1382
Annotation	4-Epimyrtine
Peak:m/z	Relative Intensity
50.70135	0.6
51.35382	0.6
53.00244	4.3
53.03888	1.2
53.46199	0.6
55.01797	2.9
55.05449	28.1
56.96501	9.3
57.06828	0.5
57.07009	8.3
57.82950	0.6
65.03851	1.7
67.05119	0.7
67.05412	5.3
67.93481	4.0
69.03349	5.6
69.06986	100.0
70.06510	12.6
71.04899	0.7
71.36965	0.7
71.38177	0.7
79.05411	1.1
81.03341	1.3
81.06957	3.1
83.04903	6.7
84.08060	8.4
85.43385	0.7
85.94513	0.8
86.09627	49.3
89.97391	0.7
92.10139	0.9
94.06483	1.2
95.04855	1.2
97.02785	1.2
97.06446	1.7
97.99101	0.9
98.05965	0.8
100.07555	10.9
109.02834	6.8
109.06468	0.8
111.04401	3.2
112.07560	16.3
121.01615	1.7
121.99306	0.8
122.02252	0.8
122.05978	4.0
122.09662	0.8
126.09136	1.5
127.03841	7.2
139.02644	1.1
140.07045	1.0
140.95183	1.0
141.05457	1.2
144.98235	1.2
150.05476	1.7
152.03410	4.7
168.06491	3.5
168.10081	1.7
168.13786	30.0
169.04953	1.2
169.07573	9.7
169.14061	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61656	0.6
51.40841	0.5
53.00243	0.9
53.03875	2.7
55.01802	3.4
55.05451	100.0
56.05762	0.8
56.96502	9.8
60.12458	0.5
65.03854	1.4
66.15630	0.5
67.05412	2.6
67.93459	0.9
69.03348	8.7
69.06967	1.3
70.06503	6.8
74.97523	0.6
79.05399	0.9
80.04925	0.8
81.03337	4.5
81.06987	5.8
83.04889	0.8
83.08541	25.9
84.08026	1.3
86.05962	0.7
92.01241	0.6
94.06496	1.5
97.02843	0.9
98.05980	8.4
98.09621	11.5
100.11179	21.5
108.04408	1.2
109.02842	6.3
109.06473	0.7
111.04385	1.3
113.01707	1.2
116.00201	0.6
121.01614	0.9
121.99336	0.9
122.05975	3.1
123.04372	0.9
126.05489	0.9
126.09106	8.2
127.03874	6.7
130.09183	0.7
140.07120	1.2
140.95091	1.4
146.97363	0.7
150.05449	0.9
152.03426	4.9
154.48059	0.8
161.01195	0.9
168.06458	4.5
168.10132	1.5
168.13730	4.8
169.04980	1.2
169.07564	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	169.0758
Annotation	Norharman
Peak:m/z	Relative Intensity
55.39651	0.2
56.96479	0.2
66.75687	0.2
68.93674	0.2
85.02808	0.2
92.10256	0.2
101.40417	0.2
104.52802	0.2
115.05397	1.4
116.73389	0.2
142.06499	0.8
168.06747	0.3
169.07559	100.0
170.07951	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0859
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
53.03887	10.0
55.01796	4.8
55.05433	4.9
56.96500	6.4
57.03370	3.0
57.06988	1.1
65.03870	10.1
67.05424	23.2
69.03342	2.1
69.06970	1.4
71.04886	1.1
79.05411	12.7
81.03304	3.6
81.06512	1.3
81.06974	27.4
83.04881	3.8
91.05367	0.8
93.03367	1.0
93.06959	5.0
95.01260	1.0
95.04897	15.7
95.08530	100.0
96.08057	1.3
97.06460	16.7
105.06954	3.1
107.04923	1.5
109.02827	41.7
109.06461	29.4
110.06000	1.8
111.00716	1.6
111.04381	17.1
113.10688	3.4
115.05409	1.3
115.62356	0.8
123.04358	5.7
123.08015	35.1
125.05951	24.9
126.03076	1.9
127.03876	1.8
128.07022	1.0
134.06003	1.2
137.56929	1.4
141.05420	3.7
146.57471	0.8
146.96146	1.1
151.03860	4.6
151.07521	13.3
152.03410	6.6
152.07024	1.5
163.97688	0.8
169.04910	7.0
169.07533	81.4
170.04468	1.3
170.07967	4.4
180.87450	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93502	0.6
52.25909	0.6
52.88460	0.6
59.22189	0.6
63.72241	0.7
110.06000	1.3
115.05396	65.7
116.05739	0.9
124.07551	0.9
134.05977	2.7
134.06960	0.7
142.06482	38.3
142.18462	0.9
152.07050	3.5
165.40660	0.8
170.05959	100.0
170.08188	3.6
171.05305	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18940	0.9
55.05442	1.1
58.31102	1.0
60.36932	0.9
76.88593	1.2
84.04408	1.2
97.21458	1.1
110.05944	1.6
115.05397	72.4
116.04906	6.9
116.05676	1.4
124.07515	1.4
134.06001	1.8
140.04918	9.6
142.06487	51.5
146.96201	1.9
152.07005	1.9
161.52708	1.1
168.59021	1.2
170.05956	100.0
170.08058	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	170.06
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20702	0.8
55.93441	1.2
56.96501	8.0
57.03355	1.7
58.09693	0.9
67.18928	1.0
69.03380	1.4
69.06973	5.2
70.06523	1.4
79.05400	5.3
81.06966	1.1
82.06480	1.8
84.04411	6.0
92.04932	1.4
93.05708	1.4
93.06947	1.1
95.04884	1.4
96.08077	3.7
97.06456	2.0
106.06496	2.2
108.04398	1.4
109.05225	4.1
110.05961	5.9
111.04406	1.6
115.05405	65.5
116.04967	7.9
116.05663	1.4
124.07551	6.0
128.07030	1.1
128.95055	1.4
130.04947	1.3
134.05974	8.8
140.04947	8.3
142.06505	45.9
142.08643	4.9
146.96085	4.5
146.99652	1.8
152.07001	10.6
170.05965	100.0
170.07983	29.4
170.09517	3.9
170.11771	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	170.081
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
52.48448	0.5
53.74786	0.4
66.63605	0.5
71.41647	0.5
79.05398	2.0
80.27130	0.4
80.33115	0.5
95.04880	0.8
96.08070	2.8
106.06483	2.1
108.04420	0.6
109.05165	0.8
110.05935	0.7
113.54607	0.5
117.42155	0.5
122.05946	0.5
123.06729	1.0
124.07541	7.1
128.33304	0.5
134.05975	95.7
135.06390	0.6
152.07033	100.0
153.07414	0.5
170.08087	17.5
186.63626	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02746	2.1
51.07673	2.2
53.00246	2.8
54.82273	2.5
55.05438	4.4
56.13115	2.2
56.96496	13.6
57.03361	6.5
57.06734	3.9
57.07009	98.0
64.22359	2.4
67.05413	3.3
68.42853	2.4
69.06985	77.2
72.04420	17.4
74.06004	2.6
79.05391	5.6
79.95368	2.4
81.03334	3.1
81.06986	5.2
83.08518	3.3
84.04422	61.9
84.04919	3.6
85.06465	66.4
86.09626	100.0
89.07068	6.4
91.23613	2.9
96.08054	3.8
100.02400	6.3
102.09120	32.1
108.04430	4.5
110.05977	6.0
111.04400	3.2
114.09127	11.7
118.03459	3.8
124.07561	3.6
128.95029	6.0
130.04976	20.6
134.05984	6.1
142.08665	4.3
146.96132	5.4
152.07043	20.9
163.03844	25.7
170.08090	31.0
170.09442	4.8
170.15355	37.0
171.14908	5.1
172.55339	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	170.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41006	1.2
53.00243	3.2
55.05440	9.1
55.93472	1.5
56.09767	1.2
56.96503	6.7
57.07000	7.0
59.21795	1.2
66.05527	1.3
69.03342	2.1
69.06987	3.2
71.08543	100.0
72.04422	10.5
73.35893	1.3
79.05410	2.3
81.82314	1.3
83.08529	3.0
84.04424	39.2
89.07056	6.8
89.28980	1.3
92.10296	1.6
96.04375	1.8
96.08041	3.6
100.02396	1.5
100.07538	7.2
108.04449	2.3
110.05969	5.3
111.04352	2.4
114.09126	2.2
114.36646	1.4
124.07539	6.3
125.05936	1.8
128.95088	3.4
130.04980	16.6
134.05965	6.7
140.27176	1.4
142.08615	2.8
146.96111	3.3
147.99487	1.4
152.06993	12.1
163.03851	5.9
170.08006	23.2
170.09525	5.3
170.15352	65.4
171.14931	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	170.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00237	8.7
54.29369	1.8
55.05441	4.9
55.90718	1.7
55.93457	1.9
56.96491	9.3
57.03360	2.4
57.06732	3.4
57.07006	56.3
63.34293	1.6
69.06971	4.1
72.04426	11.0
80.04939	2.0
81.06990	2.3
83.08509	3.4
84.04421	66.4
85.02802	1.9
85.10097	100.0
86.10432	1.9
89.07082	4.8
89.46566	2.0
93.05683	2.5
96.08057	2.9
100.02397	2.2
106.06529	2.1
108.04433	2.9
110.05995	4.6
118.03484	2.2
124.07554	9.1
125.05933	2.4
127.37791	2.2
128.95045	2.3
130.04942	21.0
134.05960	4.3
142.08659	2.6
146.96094	9.1
150.19983	2.1
152.07072	13.1
163.03847	3.1
170.08017	18.9
170.09497	3.7
170.15361	18.4
171.15001	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	171.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03877	0.5
50.30968	0.5
55.05450	26.0
56.96503	6.8
57.03362	0.9
63.46054	0.5
63.96621	0.5
72.04430	100.0
73.02824	1.5
78.30367	0.7
83.08540	26.4
84.04420	3.4
85.02810	1.0
89.07074	58.7
92.18855	0.7
96.98755	0.6
97.02823	0.7
98.01205	0.8
98.97510	4.1
110.01186	1.0
116.98569	2.9
119.01756	4.8
122.35647	0.6
128.02271	2.9
130.04987	1.2
151.57135	0.9
171.14883	52.5
191.66306	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72408	0.2
56.96498	2.3
57.03362	0.5
59.95282	0.2
60.39434	0.2
61.02838	0.2
67.66297	0.2
69.03332	0.4
69.06970	1.0
72.93678	0.5
74.05984	0.4
80.04910	0.2
83.00684	0.2
85.02843	0.3
86.09611	0.3
91.05386	0.3
92.01217	0.3
95.04856	0.4
97.68861	0.2
98.01200	0.2
98.97511	1.7
103.05376	2.0
104.03365	0.4
108.95778	0.3
110.01196	0.9
115.05386	1.3
115.25301	0.2
116.05669	0.2
116.98558	0.4
117.05703	0.2
117.06945	2.7
118.07302	0.5
119.01761	0.5
119.06860	0.5
126.09167	0.4
128.02264	1.2
128.04930	1.3
128.98566	0.4
130.06445	0.2
131.06851	0.5
131.97437	0.2
133.86238	0.2
134.99623	0.3
137.02814	1.0
139.53099	0.3
143.07283	5.2
144.08057	100.0
144.26120	0.2
145.06465	1.4
145.08401	20.7
146.05943	1.0
146.99658	0.3
154.06529	0.4
155.05682	0.3
155.06837	10.2
156.06685	0.4
157.07132	4.2
170.07942	1.2
171.08704	0.8
172.07599	1.8
172.09480	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29158	2.2
54.59911	2.2
55.01797	5.1
55.05438	11.2
56.96498	89.0
57.03366	23.2
61.02850	13.2
67.05415	12.3
68.95194	3.2
69.03335	14.3
69.06986	100.0
70.02885	2.9
72.04420	13.9
72.93694	24.3
73.02822	26.4
74.97495	3.3
77.00697	6.2
79.05389	5.9
80.04932	3.3
81.03333	6.0
81.06982	13.5
83.00683	5.1
83.08533	2.9
84.04417	10.6
84.08062	22.2
84.95971	3.5
85.02818	20.6
85.04742	3.4
86.09150	3.1
86.09624	70.0
87.00755	10.5
89.00681	5.4
90.01479	13.0
90.07375	2.2
90.94746	17.9
91.05354	3.8
92.01206	3.9
92.10840	3.8
96.01424	3.4
97.00412	3.4
97.02811	14.6
97.99090	3.1
98.01222	12.5
98.02332	2.7
98.06009	3.5
98.97506	58.8
99.02007	5.8
99.04376	4.0
100.07543	3.1
101.52244	3.0
104.01224	11.7
104.03410	48.8
105.02001	10.5
107.01739	4.6
108.08070	3.2
108.95804	5.6
109.02825	3.4
110.01203	19.2
110.97515	6.4
112.03887	5.8
112.07539	26.5
115.67411	2.7
116.00168	3.8
116.03387	11.5
116.10666	4.4
116.51762	2.7
116.98569	55.1
119.01746	56.1
122.02226	2.5
126.09123	33.1
127.03831	2.9
128.01396	3.0
128.02269	48.5
128.52333	2.7
128.98540	9.8
130.52550	2.9
134.99631	35.9
135.52138	2.5
137.02797	29.8
139.53052	5.0
144.08035	13.8
146.99638	16.5
148.53577	5.4
149.01073	3.4
149.96060	4.3
154.08604	12.3
158.01176	14.9
158.99611	2.9
161.01224	3.3
165.00626	3.5
167.97116	6.4
170.01163	2.7
172.09645	32.0
177.00616	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	172.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03894	1.1
54.92728	0.8
55.01796	1.3
55.05434	1.1
56.96501	37.4
57.03373	8.1
57.07010	20.9
61.02854	6.9
67.05391	2.2
68.95164	0.6
69.03349	6.4
70.51617	0.6
71.04915	1.1
71.95171	0.7
72.04422	6.7
72.93691	1.0
73.02825	14.6
74.97513	1.1
77.00671	3.5
81.03329	1.6
81.06950	1.2
83.00681	1.0
83.04874	0.8
84.04419	2.9
84.08053	1.2
84.95959	2.7
85.02820	9.8
85.19090	0.6
86.01212	1.5
86.09624	1.4
89.00719	1.2
89.07062	1.0
90.01483	4.4
90.90306	1.4
91.02264	0.8
91.05447	0.8
92.01213	6.2
96.01451	4.8
97.02834	5.9
97.99143	1.2
98.01208	5.9
98.97506	23.0
99.01985	1.3
100.07536	1.1
102.09093	4.4
104.01200	4.0
105.02024	5.4
106.00962	3.1
107.01774	5.1
109.02857	1.3
109.06475	1.2
110.01224	11.0
110.51432	1.0
110.97506	1.5
112.07535	1.1
113.01766	1.6
116.00179	2.8
116.10672	4.3
116.98566	17.5
119.01754	22.4
119.51900	1.1
121.51983	1.7
126.09114	7.8
127.03889	2.8
127.07446	1.2
128.02274	25.5
128.52464	2.7
128.98575	6.1
130.12204	0.8
130.52525	4.9
134.01192	0.8
134.99620	13.6
137.02806	11.0
137.52925	0.8
139.53036	5.0
140.00150	0.8
142.03307	1.0
145.07588	0.8
146.99626	9.1
148.53583	2.5
149.93994	0.9
153.00694	1.4
158.01210	3.2
158.99623	1.0
161.01169	1.3
162.99040	0.8
165.00696	1.1
172.09621	3.0
172.16917	100.0
173.17293	1.0
177.00671	3.5
189.00653	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	172.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03858	2.1
53.86043	1.3
55.01802	3.6
55.05439	2.5
56.04953	1.5
56.96498	92.6
57.03373	26.6
57.07004	18.4
61.02856	14.8
64.33125	1.4
67.05405	3.7
69.03339	18.3
71.04907	3.0
71.08531	3.7
71.95181	2.8
72.04410	3.5
72.28111	1.8
72.93683	3.1
73.02824	41.0
74.05972	7.7
74.57094	1.7
74.97513	6.9
77.00687	7.1
80.04886	2.0
81.03339	8.5
81.06973	2.2
83.00677	7.5
83.04828	2.0
84.01457	2.4
84.04417	9.7
84.08084	2.8
84.08839	2.4
84.95931	1.8
85.02819	29.1
85.06433	8.3
86.01208	2.1
86.09604	2.0
87.04346	2.2
88.11161	2.0
89.00678	9.1
90.01474	12.1
90.90310	2.1
91.02250	2.3
92.01228	15.5
95.00706	1.8
95.04862	1.8
95.52264	1.9
95.91022	1.7
96.01486	12.8
97.00420	2.8
97.02802	15.8
97.99097	7.6
98.01225	22.8
98.97511	61.0
99.01975	7.1
99.04371	4.0
102.09103	76.6
104.01206	13.3
105.01997	11.9
107.01761	15.1
108.61852	1.6
109.02044	1.5
109.02805	4.1
109.10107	1.8
109.51995	1.7
110.01225	41.1
110.51359	3.5
110.52788	1.5
110.97521	2.8
113.01726	3.1
115.52023	2.2
115.97801	1.7
116.00152	8.5
116.98565	51.7
118.06511	2.1
118.52565	2.9
119.00874	3.1
119.01739	81.4
119.51951	6.6
120.02512	1.9
121.51960	3.4
123.05384	1.6
126.09135	13.7
127.03857	10.5
128.02258	84.9
128.52437	7.4
128.98553	14.1
130.52527	17.9
131.00146	1.6
134.99617	37.2
137.02788	28.9
139.53059	19.1
140.00125	6.8
144.98009	1.8
146.99646	19.7
148.53566	7.7
149.94092	2.3
153.00658	6.4
154.08575	2.7
158.01263	13.8
158.99614	6.9
161.01118	3.1
162.99167	2.6
165.00664	7.8
172.09706	4.0
172.16913	100.0
176.02193	2.6
177.00624	7.1
189.00629	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	174.076
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
53.00232	1.0
54.81867	0.7
56.04960	2.9
56.96492	0.9
57.03146	0.6
57.03373	11.0
58.02893	0.6
59.67817	0.6
60.04454	38.4
61.02853	1.3
61.27821	0.6
68.04951	7.8
69.03342	22.0
70.06498	4.0
70.14764	0.6
70.95766	1.1
73.02814	0.7
84.04424	36.3
85.02821	16.6
86.05976	4.2
86.09621	0.8
87.04386	1.1
95.70573	0.7
96.04417	12.2
97.02821	100.0
98.05962	0.7
102.05458	9.1
103.43894	0.7
105.13969	0.7
110.01264	0.7
114.05476	34.8
115.03864	6.9
128.07083	0.9
132.06538	3.8
138.05481	1.6
146.08168	1.0
150.96892	4.9
156.06512	0.9
161.59920	0.7
174.07578	67.2
175.07759	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39479	0.4
53.00248	0.6
55.05439	3.1
56.04974	0.7
56.24131	0.6
56.96498	4.9
57.03355	2.2
57.06739	1.1
57.07008	26.6
58.06526	5.4
60.04454	0.7
60.05582	4.5
62.05710	0.9
62.06012	16.2
67.05432	0.5
68.04920	0.8
69.03327	0.8
69.06970	0.5
70.06508	13.4
70.95790	0.6
71.08180	0.9
71.08542	16.8
72.08004	0.6
81.06980	2.1
83.04910	0.6
84.04408	1.2
85.02798	0.9
86.05975	1.1
87.03690	0.5
88.04427	0.5
92.10896	1.0
92.77028	0.5
96.04422	0.8
97.02833	5.7
100.02384	2.0
102.05530	0.7
109.06436	0.8
114.05479	1.3
116.07008	3.6
118.03449	1.3
118.08524	0.6
119.01760	1.4
124.52518	0.8
128.07048	0.9
128.52792	0.7
130.09737	2.7
136.01025	0.6
136.33427	0.6
137.40657	0.5
139.53142	0.6
140.98486	1.0
146.06062	1.0
146.08095	0.7
150.96828	1.0
156.17438	13.7
158.99612	3.2
168.97975	0.7
174.07536	3.9
174.12762	0.9
174.18486	100.0
175.11807	1.4
175.18861	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0965
Annotation	Suberic acid
Peak:m/z	Relative Intensity
52.46687	0.4
53.00240	0.5
53.03890	0.6
55.01812	5.9
55.05451	58.1
56.05782	0.4
56.96500	2.7
57.03357	0.4
57.07382	0.3
60.04450	0.3
60.05580	20.3
61.02842	0.4
67.05418	3.9
68.41626	0.4
69.03336	0.8
69.06985	38.5
70.06507	69.9
71.04896	1.7
72.08073	2.6
74.93077	0.5
79.05407	2.8
81.06969	8.0
83.08537	100.0
84.08876	1.6
85.02817	0.7
87.08033	3.2
91.05406	7.6
93.06966	6.8
95.04894	0.5
95.08524	5.6
97.02818	0.7
97.06458	2.0
98.05991	0.5
98.97514	3.5
102.56933	0.4
103.05388	0.6
105.06968	14.7
105.07651	0.6
107.08528	4.2
109.10089	0.4
111.08026	22.6
112.07500	0.5
112.08671	1.9
115.05379	0.4
116.06258	0.8
116.07043	14.8
116.98567	5.7
117.06960	0.8
119.08533	34.8
121.06407	0.6
121.10112	0.4
122.29495	0.3
127.03844	0.4
129.09070	5.4
130.06480	2.6
130.09715	6.0
131.08540	2.4
133.10095	15.6
133.36761	0.4
134.99638	7.9
137.98309	0.9
139.07533	1.8
145.10130	1.6
146.10899	0.6
147.11667	5.5
153.00685	2.3
157.08582	4.3
158.09238	3.6
160.12436	0.6
175.07449	0.6
175.08208	0.6
175.09610	13.1
175.11864	15.0
175.14781	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	175.1189
Annotation	L-Arginine
Peak:m/z	Relative Intensity
53.80437	0.2
54.81762	0.3
60.05579	29.9
68.04953	0.3
70.06509	100.0
71.04911	1.9
71.06841	0.3
72.08070	3.8
76.57983	0.2
97.07578	0.6
98.68840	0.3
100.26703	0.3
107.12369	0.3
112.08678	3.1
116.07039	19.6
130.09726	9.9
130.10562	0.3
131.23927	0.3
148.05496	0.3
155.52634	0.3
157.10812	0.7
158.09221	5.3
170.58476	0.3
171.68701	0.3
175.11865	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	175.1188
Annotation	L-Arginine
Peak:m/z	Relative Intensity
50.35910	0.4
60.05580	26.7
60.86879	0.5
62.69154	0.5
70.06509	100.0
70.60040	0.5
71.04907	0.9
72.08064	4.8
95.23801	0.4
96.81217	0.4
112.08681	2.8
116.07038	22.4
130.09737	9.5
132.02119	2.1
158.09247	5.5
175.11871	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
50.30492	0.7
50.97699	0.7
53.03897	1.2
55.01814	6.7
55.05449	61.1
56.96489	1.7
58.22780	0.7
60.05576	24.8
67.05412	5.1
69.03370	0.8
69.06983	41.8
70.06506	81.4
70.12264	0.9
72.08049	3.4
79.05379	4.3
79.54721	0.9
81.06965	15.9
83.08533	100.0
85.10147	0.8
87.08011	4.7
91.05402	12.2
93.06963	8.8
95.04914	1.1
95.07971	0.9
95.08524	9.3
98.06528	0.8
98.97501	3.4
101.85300	0.8
103.05405	0.8
105.06270	1.0
105.06966	25.3
107.08534	6.4
111.08022	17.9
112.07522	1.4
112.08622	2.0
116.07027	18.0
116.98544	4.7
117.06941	1.4
119.08532	61.7
129.09048	4.8
130.06487	1.8
130.09723	7.6
131.08505	5.2
131.89268	0.9
133.10077	23.7
134.99594	3.9
139.07491	1.6
141.63512	0.8
145.10072	1.5
146.10880	1.6
147.11676	7.2
157.08565	3.4
158.09140	3.7
175.09647	14.8
175.11865	15.9
175.14761	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	0.6
56.96242	1.0
56.96503	21.9
64.32828	0.9
71.04878	0.8
71.95181	3.0
81.03338	1.1
84.08073	0.8
87.98570	0.6
90.88586	0.6
98.97514	98.7
99.97831	0.6
111.44250	0.7
113.00761	0.7
116.98569	100.0
117.17693	0.6
117.98987	0.9
119.01926	1.1
121.01623	1.5
127.03870	0.8
131.01865	15.0
134.99626	84.1
135.03146	3.4
136.00110	0.7
136.02243	0.7
139.02513	0.9
149.02940	4.5
153.00682	17.3
154.01135	1.0
154.03438	3.8
157.03435	0.8
172.04431	1.0
177.04210	2.5
177.05544	1.1
185.02884	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1272
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
54.81773	3.3
66.75789	3.4
73.22274	3.3
88.02123	7.6
91.05405	26.5
93.06976	4.6
95.29164	3.9
98.77782	3.9
105.06966	23.3
109.10042	4.6
119.08537	64.2
120.92008	3.3
121.10165	3.7
128.67032	3.6
133.10094	25.2
134.26401	4.0
135.08029	20.9
137.09596	60.5
143.42801	3.5
149.09654	5.2
149.13231	17.1
150.81808	4.3
161.09575	21.0
177.12686	100.0
178.15926	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	179.0399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52018	0.3
63.56810	0.3
75.29328	0.3
76.44918	0.3
83.27129	0.4
92.64484	0.5
93.18468	0.4
101.00813	8.3
116.98589	0.7
119.01875	100.0
120.01955	1.6
133.03441	2.2
137.02930	47.8
138.03003	0.8
142.03474	0.9
151.04556	0.7
156.04968	0.4
161.02925	7.6
179.03976	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	180.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28402	0.6
53.03893	0.9
55.01812	14.3
55.05459	1.0
56.96491	1.5
57.03373	17.8
60.08080	0.7
61.02853	8.0
69.03345	44.8
70.06500	5.4
71.04899	3.4
72.08067	5.9
73.02832	9.9
81.03339	6.4
83.82462	0.9
84.08061	5.5
85.02823	100.0
86.03095	1.0
86.09629	6.3
87.04373	3.5
97.02814	40.7
98.97504	6.4
99.04382	12.6
101.02308	12.0
103.03884	1.5
109.02827	5.1
115.03873	6.4
116.98556	4.3
127.03867	55.0
128.31308	0.9
129.10184	0.8
130.08598	1.8
134.99623	1.7
136.54973	0.9
143.38116	0.8
145.04930	23.0
147.11378	1.0
150.65314	0.7
154.59013	0.9
163.05946	6.9
175.67564	1.0
180.08568	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.081
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
56.16559	0.5
61.55785	0.6
67.58260	0.5
71.10868	0.6
81.60340	0.5
91.05400	54.7
93.06968	0.8
95.04888	22.2
103.05381	2.2
107.04876	2.4
109.06451	1.1
118.06464	2.4
119.04883	52.4
121.06467	1.2
123.04370	59.6
136.07541	100.0
137.07906	1.0
147.04370	15.4
165.05426	20.0
182.08067	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	182.1539
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
55.05436	7.5
55.57960	3.3
56.96499	3.9
58.02890	52.0
58.93151	2.9
60.62708	2.8
61.89184	2.6
67.05423	27.5
69.06990	76.9
71.08515	3.3
79.05387	6.6
80.86990	3.1
81.06963	22.4
84.08083	5.3
93.06925	13.1
98.86614	3.1
98.97530	23.5
100.07508	4.2
105.06973	14.3
107.08532	19.5
109.10110	50.0
114.09126	13.8
116.98579	19.0
117.98891	5.2
123.11692	5.7
126.09113	12.6
133.10095	33.7
134.99596	6.0
135.11656	29.3
135.99950	5.1
138.12764	19.2
147.11612	3.8
151.11150	7.2
153.12721	4.8
165.39449	3.5
171.52902	3.2
182.15370	100.0
188.91061	3.6
199.90091	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	183.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03865	4.7
55.01805	5.9
57.03378	25.7
58.99784	2.3
61.02853	61.3
63.63906	2.2
63.69693	2.8
69.03339	34.7
73.02828	39.9
77.00796	2.8
81.03332	19.4
85.02821	30.0
86.09616	14.5
88.02614	4.5
91.05361	5.2
92.05733	15.9
94.02610	2.4
95.04877	3.9
96.02293	9.8
96.05238	4.3
97.02802	40.0
99.04373	6.4
101.00799	15.9
102.02322	15.8
105.00346	3.5
108.02342	4.1
109.02779	10.6
109.53184	2.7
111.02859	6.2
115.02370	3.4
119.01868	100.0
119.04866	3.4
120.01965	5.8
120.05242	20.1
121.24985	2.6
123.04359	5.3
124.04683	16.0
124.99981	27.9
127.03893	4.9
129.03864	4.2
131.01862	57.0
133.03398	10.5
136.07561	6.2
137.02916	23.9
137.07890	38.0
142.03447	13.1
143.01857	32.5
144.01985	2.7
145.03398	22.5
147.01334	6.3
148.04707	5.6
149.02901	14.5
155.01825	21.0
156.02043	3.1
157.03442	27.8
158.03574	3.0
159.04976	5.2
160.04512	4.1
161.02928	85.4
162.03061	4.7
165.05237	3.4
166.05765	6.3
169.03433	3.7
173.01541	4.5
173.02913	64.4
174.03113	11.4
175.04440	14.6
179.03931	12.3
179.67621	2.8
184.07271	10.6
185.02893	34.6
186.03152	5.1
187.04520	4.1
191.03917	4.6
197.02968	3.1
203.03986	45.2
204.04289	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	183.05
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69227	2.8
53.03886	5.4
54.42617	2.8
55.01801	15.1
56.96484	4.5
57.03368	29.5
61.02565	3.7
61.02852	62.4
69.03342	34.6
69.08175	3.4
71.99598	3.0
73.02824	39.6
74.51907	3.4
77.00823	4.9
79.04144	2.9
81.03320	8.3
83.04900	3.6
85.02818	38.8
86.09643	4.9
91.05380	8.2
92.05721	18.3
92.10527	19.5
95.00620	3.8
97.02815	34.3
99.04389	6.4
101.00812	25.1
102.02338	7.2
103.03153	4.6
105.02867	3.9
109.02925	3.4
109.30392	3.2
111.02897	6.7
115.02374	5.9
115.03864	5.5
119.01872	100.0
120.01940	7.5
120.05217	14.8
123.04331	4.8
124.04704	6.3
124.99927	6.2
127.03880	14.1
131.01851	54.5
132.01923	4.5
132.03349	5.3
133.03429	15.0
137.02942	33.3
137.07909	26.5
142.03462	16.9
143.01868	31.7
145.03404	24.2
147.05046	4.2
148.04858	4.5
149.02960	17.5
155.01871	26.3
156.01961	4.3
157.03412	22.8
158.03592	4.1
160.04504	7.1
161.02899	85.1
167.01862	4.7
173.02922	69.5
174.03099	7.5
175.04454	18.9
179.03851	4.7
184.07301	5.3
185.02928	46.8
186.02997	4.4
191.04012	5.3
197.02965	4.1
203.03979	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	184.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03872	0.7
55.01810	1.5
55.05439	1.7
56.96490	4.5
57.03378	0.8
60.05087	0.6
60.08085	0.8
60.95779	3.4
66.22728	0.6
67.05411	1.5
69.03330	0.8
69.04482	1.0
69.06976	1.6
70.06513	6.4
71.04898	1.1
73.02810	1.2
78.99599	0.7
79.05394	1.1
80.19097	0.7
81.03337	0.9
81.06971	1.1
82.06495	1.2
83.04918	0.7
86.09631	8.6
91.05411	1.2
93.06973	11.2
95.04881	0.8
95.06024	0.8
95.08524	10.2
96.05212	0.9
96.08045	5.2
97.06470	1.3
98.97528	0.7
98.98379	1.7
101.00814	6.2
101.94974	1.7
102.96809	4.3
105.06977	0.8
110.01277	0.7
110.06012	5.9
110.06685	1.0
110.09631	14.9
111.06763	1.7
112.07599	1.4
116.98524	1.3
119.01872	100.0
119.95999	1.3
119.98179	1.0
120.01933	6.0
120.08051	12.1
120.97858	6.0
121.01609	1.3
121.06458	7.3
123.08006	4.3
124.03882	0.7
124.07552	60.2
124.99973	7.0
125.05933	0.8
134.99614	1.0
137.02931	69.3
137.97086	1.7
137.99223	1.3
138.03041	6.0
138.05377	0.8
138.09117	36.9
138.10094	2.1
138.98914	8.7
141.04929	0.9
142.03467	13.6
143.03586	3.4
148.07570	4.9
149.05916	1.1
155.98125	1.0
156.99966	1.4
160.04553	8.1
161.01585	0.6
161.02917	5.6
161.04665	2.9
166.08585	21.6
166.09782	5.8
167.06975	0.9
171.11029	0.7
179.03961	11.6
184.07277	6.7
184.09639	26.0
187.15771	0.7
198.81403	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03872	0.7
55.01810	1.5
55.05439	1.7
56.96490	4.5
57.03378	0.8
60.05087	0.6
60.08085	0.8
60.95779	3.4
66.22728	0.6
67.05411	1.5
69.03330	0.8
69.04482	1.0
69.06976	1.6
70.06513	6.4
71.04898	1.1
73.02810	1.2
78.99599	0.7
79.05394	1.1
80.19097	0.7
81.03337	0.9
81.06971	1.1
82.06495	1.2
83.04918	0.7
86.09631	8.6
91.05411	1.2
93.06973	11.2
95.04881	0.8
95.06024	0.8
95.08524	10.2
96.05212	0.9
96.08045	5.2
97.06470	1.3
98.97528	0.7
98.98379	1.7
101.00814	6.2
101.94974	1.7
102.96809	4.3
105.06977	0.8
110.01277	0.7
110.06012	5.9
110.06685	1.0
110.09631	14.9
111.06763	1.7
112.07599	1.4
116.98524	1.3
119.01872	100.0
119.95999	1.3
119.98179	1.0
120.01933	6.0
120.08051	12.1
120.97858	6.0
121.01609	1.3
121.06458	7.3
123.08006	4.3
124.03882	0.7
124.07552	60.2
124.99973	7.0
125.05933	0.8
134.99614	1.0
137.02931	69.3
137.97086	1.7
137.99223	1.3
138.03041	6.0
138.05377	0.8
138.09117	36.9
138.10094	2.1
138.98914	8.7
141.04929	0.9
142.03467	13.6
143.03586	3.4
148.07570	4.9
149.05916	1.1
155.98125	1.0
156.99966	1.4
160.04553	8.1
161.01585	0.6
161.02917	5.6
161.04665	2.9
166.08585	21.6
166.09782	5.8
167.06975	0.9
171.11029	0.7
179.03961	11.6
184.07277	6.7
184.09639	26.0
187.15771	0.7
198.81403	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05782	1.9
51.75998	2.1
53.00229	1.9
53.03876	2.8
54.81977	1.9
55.05448	91.8
55.05709	3.8
56.96502	19.9
57.03369	2.8
57.07010	74.2
59.04914	4.7
60.95773	25.9
67.19715	2.0
69.03335	3.5
70.06499	11.8
74.06003	2.1
81.03319	2.2
83.04903	2.3
83.08533	35.8
84.08030	2.3
85.06451	38.2
86.09637	3.5
90.80298	2.1
98.97507	10.6
99.39130	2.1
100.11182	100.0
100.97853	2.3
101.94965	52.9
101.97141	5.5
102.09113	24.5
102.96804	46.9
104.10651	3.1
104.48293	2.3
110.05882	2.1
114.09098	3.8
116.98590	2.7
119.01868	58.0
119.96031	30.7
119.98149	4.4
120.01955	10.5
120.97865	68.3
121.01559	3.4
137.02942	39.0
137.97064	30.7
137.99847	4.4
138.02991	9.3
138.98915	69.7
138.99950	4.7
139.01782	3.8
142.03435	8.6
146.99672	4.2
148.03862	2.7
149.07120	3.0
155.98129	12.1
156.00269	3.3
156.99936	22.0
157.04350	3.8
161.04649	9.5
162.00516	4.3
166.08487	3.6
166.09764	4.6
179.04027	4.4
179.05649	2.5
184.07484	5.1
184.09521	3.8
184.16957	15.7
191.12381	2.2
199.45345	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17528	1.5
53.00251	3.2
54.82404	2.1
55.01803	2.2
55.05440	3.6
56.96501	21.7
57.03340	1.8
57.07010	56.0
58.30077	1.7
59.04923	8.6
60.95061	3.0
60.95774	30.4
64.95781	1.8
70.06499	12.3
71.95195	2.6
73.02815	2.3
83.04897	2.2
84.95988	1.9
85.10101	72.7
86.05964	2.0
86.09631	3.8
97.02814	3.3
98.97473	8.6
100.07536	12.6
101.00783	4.1
101.94309	3.3
101.94974	60.7
101.97157	3.1
102.96809	38.9
110.06009	2.5
116.98564	3.9
119.01871	74.3
119.96024	33.2
119.98123	4.3
120.01961	12.4
120.97851	70.0
121.01594	3.4
133.01683	2.1
134.28210	1.9
136.50658	1.7
137.02946	44.5
137.97066	41.0
137.99178	2.6
137.99863	2.6
138.03015	8.4
138.09132	3.2
138.98912	84.6
139.01779	5.0
142.03458	13.5
143.03520	11.1
155.98102	28.0
156.99971	26.4
160.04533	8.2
160.98698	3.0
161.04657	4.4
162.00459	4.9
166.08536	2.8
166.09776	7.8
178.99730	2.5
179.03978	4.4
179.05666	2.9
180.01508	2.2
184.07433	3.5
184.09637	4.2
184.16928	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
87.97298	87.4
109.28280	82.2
111.98463	75.9
153.95320	100.0
183.48727	86.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
62.35170	78.5
67.64884	100.0
73.32286	98.8
77.96282	75.5
130.48471	81.9
144.74948	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	185.0806
Annotation	3-Methoxy-4-hydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
55.01818	0.7
55.05434	0.8
55.18851	0.5
56.96487	3.7
59.04884	0.7
60.88889	0.5
60.95766	1.4
65.03859	1.2
68.99690	3.7
69.06963	3.0
69.78211	0.7
71.04920	0.8
73.82593	0.6
74.70634	0.6
75.04384	1.0
76.13869	0.6
79.01749	3.2
79.05391	1.3
79.34276	0.7
82.04090	2.9
83.04888	2.5
85.02806	3.3
86.09619	1.1
93.03317	0.9
93.06970	2.7
95.01244	10.0
95.04878	2.8
97.06425	1.3
98.44503	0.9
98.97510	1.0
99.04369	0.8
99.18381	0.8
102.96807	7.3
107.01256	1.3
109.02808	1.5
110.03605	41.1
111.04380	14.1
114.05418	1.0
120.01963	2.8
120.97845	6.6
121.00754	0.8
121.01612	1.0
121.06431	1.3
121.07556	0.8
123.04356	2.4
124.05096	0.7
125.05948	100.0
127.03870	10.2
137.02905	0.7
138.03023	1.1
138.98894	7.9
139.01753	3.1
139.02893	1.0
139.03874	30.8
139.07503	1.0
141.05402	0.7
143.03450	0.7
149.05952	0.7
153.05437	90.8
154.06223	44.5
154.07219	0.6
154.07532	0.9
155.03374	5.1
155.06984	1.1
156.99956	1.3
163.01854	0.9
167.06978	2.4
170.05721	8.8
181.02806	3.6
185.04280	0.9
185.08049	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	185.1073
Annotation	Benzidine
Peak:m/z	Relative Intensity
54.03399	1.4
55.01794	0.9
55.05436	2.1
56.96498	6.6
57.03371	1.9
57.48460	0.5
60.95782	5.6
67.05424	0.7
68.04950	2.0
69.03339	2.4
69.06982	4.1
70.06487	1.1
71.04889	2.2
71.77798	0.5
72.08051	2.7
79.05396	3.9
81.06950	1.1
83.04900	2.3
84.04401	2.4
84.95958	1.2
85.02819	7.8
86.09618	4.8
91.05404	3.5
93.06945	5.8
95.04868	2.6
95.08524	1.1
97.00750	0.8
97.02821	0.9
97.06452	1.3
98.05993	1.1
98.06730	0.5
98.97509	0.9
99.04362	1.1
102.96783	11.2
104.04843	0.5
107.04917	0.7
107.05988	2.2
107.08543	1.2
108.04420	0.6
109.00420	0.5
109.05242	0.7
111.04398	2.8
111.05500	0.6
111.07990	1.4
112.07526	1.0
114.05476	6.0
115.05328	0.8
116.98585	0.9
117.05716	1.1
117.06944	3.3
118.06464	3.3
119.01835	4.0
119.05994	0.6
119.25877	0.5
120.01937	6.2
120.96970	0.6
120.97855	18.2
121.00699	3.0
121.01612	5.9
121.06459	4.3
121.07556	1.3
121.10072	2.6
122.05959	5.0
123.07990	1.0
125.05931	2.7
126.05476	3.4
127.03873	2.4
128.16380	0.6
129.06931	7.0
130.06500	3.1
132.08038	6.0
134.99620	0.8
137.02919	1.2
137.07031	0.7
138.03024	4.6
138.98915	20.5
139.01772	11.7
139.02724	2.5
139.07506	2.5
140.07018	2.5
141.06923	2.4
143.07291	6.6
144.03212	1.4
144.08054	33.6
149.07022	1.8
156.06813	0.7
156.08038	20.0
156.99944	8.9
157.10042	0.9
158.09610	11.5
162.04276	0.8
163.01767	6.3
167.07187	14.0
167.08527	0.7
168.08037	100.0
169.07382	4.2
170.08327	10.9
181.02811	14.5
183.09189	2.2
185.04247	1.0
185.06995	1.3
185.10696	44.6
186.07544	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	186.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81823	1.1
55.01801	2.6
56.96492	7.5
57.03363	7.4
57.07014	22.3
57.69345	1.0
59.76246	1.0
60.95771	1.7
61.02855	1.3
67.05447	1.2
67.31078	1.0
68.04963	1.2
69.03349	2.0
70.06483	1.9
71.04898	6.0
71.84151	1.1
74.05988	6.0
80.04941	2.2
81.03336	2.4
84.04433	12.4
84.08060	1.7
85.02835	36.2
85.06467	8.6
86.05969	1.2
91.05394	2.8
96.04414	1.2
98.05981	6.8
99.04383	15.5
102.09119	71.3
102.12756	2.8
102.96822	2.6
104.99213	8.5
108.04391	2.5
112.07553	10.8
112.08208	1.3
113.04717	1.4
114.05482	33.1
120.97874	2.2
121.01595	2.5
122.05969	6.6
123.11769	1.2
126.05473	29.2
127.03876	6.8
128.97777	1.5
133.85829	1.2
137.98294	10.2
138.98930	5.1
139.02673	6.6
139.99301	1.5
140.07043	9.0
145.04919	5.1
149.49055	1.3
163.01820	1.4
181.02759	4.1
186.07574	13.6
186.09062	1.7
186.11179	1.8
186.18497	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01805	1.9
55.05453	2.2
55.38612	1.8
56.96511	2.0
57.03372	2.4
57.06733	3.3
57.07013	100.0
59.31357	1.6
71.04921	2.2
71.08179	2.9
71.08547	43.4
71.33492	1.7
83.96053	1.8
84.04433	4.1
85.02832	18.7
85.10117	10.7
88.02129	3.1
98.06006	3.7
99.04372	8.9
104.99229	8.8
112.07544	3.0
114.05487	21.1
120.14703	2.1
120.97854	2.9
126.05470	10.3
127.03902	1.9
128.97786	2.2
137.98344	4.4
140.07042	2.7
146.23166	2.0
186.07628	3.5
186.22134	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	3.9
56.96484	2.5
69.03318	4.7
79.05417	6.5
83.08507	2.6
85.02821	3.8
88.02134	5.9
89.96696	2.5
91.05406	3.7
92.10841	3.5
95.08558	2.9
104.99219	14.6
105.06983	3.8
117.06947	3.8
121.06446	6.9
128.06200	4.5
129.06944	19.9
130.07777	4.9
130.47287	2.8
131.08530	32.8
141.06940	17.2
144.05669	6.0
144.09315	15.2
145.06444	13.6
146.07228	6.8
147.08121	3.8
154.07748	5.4
157.06482	22.0
158.07246	58.0
159.08020	53.5
159.11635	15.9
169.10043	5.7
171.07968	3.6
172.08772	67.2
178.57339	3.4
187.11130	100.0
187.12750	5.8
207.52675	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	187.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81580	2.7
55.01818	2.1
55.05438	6.2
56.96502	3.7
58.81626	2.1
59.41851	2.3
61.36515	1.8
75.12490	2.3
79.05399	5.8
81.03336	3.5
83.08533	5.5
88.02140	22.3
88.37616	2.5
91.05396	5.6
95.08505	5.9
104.99232	28.4
105.06975	4.0
108.06571	2.7
117.06989	3.8
119.08564	5.1
121.06463	4.2
125.58447	2.3
127.05807	3.4
129.06975	14.0
129.50153	3.0
130.07730	4.1
131.08531	30.2
133.21858	2.5
137.98395	2.3
141.07001	16.8
144.05685	12.6
144.09286	10.8
145.04802	2.5
145.06474	16.8
146.07211	9.7
153.06967	4.0
154.07788	6.0
157.06453	24.7
158.07253	62.4
159.08022	55.7
159.11662	16.1
169.10045	4.4
172.08800	67.1
187.11125	100.0
187.12726	5.0
205.58310	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	188.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03874	1.7
54.81886	0.3
59.04933	0.4
60.04430	0.4
65.03856	0.4
69.98707	0.5
70.99481	1.3
74.74622	0.3
80.04915	0.6
83.04932	0.3
85.01051	6.0
86.05981	0.4
86.09615	1.2
87.02607	0.4
97.01028	0.3
102.03657	0.3
102.05453	0.3
103.02077	1.3
104.44194	0.3
112.02132	6.7
113.02936	0.4
115.02076	0.4
116.98560	0.4
128.07043	0.4
133.80943	0.3
140.01613	4.1
144.75418	0.3
147.80624	0.4
157.01877	2.0
158.02649	3.0
170.01204	0.7
170.02654	19.1
188.03719	100.0
189.04065	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0704
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
52.55537	0.8
54.81620	0.8
56.67776	1.0
66.25597	0.9
89.68762	0.9
91.05405	7.1
94.22306	1.0
114.37482	0.9
115.05397	13.7
117.05721	1.8
117.06992	7.8
118.06487	100.0
118.11726	0.9
142.06538	8.8
143.07283	21.4
144.08067	26.5
145.06413	1.6
146.05988	86.2
153.10243	1.0
170.05960	9.4
188.07010	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	188.0917
Annotation	N-(3-(S)-Hydroxybutyryl)homoserine lactone
Peak:m/z	Relative Intensity
51.26260	0.6
51.37831	0.6
55.05441	3.9
56.04985	2.6
56.96487	4.6
57.03364	3.5
59.04921	2.9
60.04440	3.2
61.02854	11.0
67.05420	1.0
69.03342	1.5
70.02866	1.4
70.06492	1.5
71.04901	3.0
73.02814	0.8
75.04397	1.1
76.56494	0.8
77.52734	0.6
82.06480	3.1
83.04891	4.9
84.04424	100.0
85.02341	1.4
85.02814	24.5
86.05976	1.5
87.04398	10.2
88.02172	0.8
91.05413	1.5
95.50575	0.9
95.51190	0.7
97.10106	0.8
99.49482	0.9
100.07524	1.7
102.05510	1.3
110.05983	3.1
114.09106	0.8
117.06895	1.0
118.06469	12.1
119.03530	0.8
124.02727	0.8
126.05470	4.3
128.07045	8.4
129.05452	1.0
142.12286	1.0
143.07315	1.4
144.08064	4.2
146.05981	14.5
146.08018	1.3
147.09415	0.8
170.07948	0.9
170.11737	0.9
188.07153	3.0
188.09131	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	189.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83681	0.1
55.05446	0.2
55.63005	0.1
56.96497	1.1
59.48558	0.1
62.12065	0.1
67.59426	0.1
70.97546	0.1
84.04421	0.2
84.08066	0.8
91.05406	0.1
95.04879	0.2
103.05408	0.5
115.05421	0.3
115.54385	0.1
117.05686	0.2
117.06950	1.4
118.06492	1.4
120.08109	0.1
126.09113	0.3
128.04965	0.3
130.04935	0.2
131.65852	0.1
132.08070	0.2
142.98582	0.2
143.07294	2.4
144.08057	100.0
145.06442	0.8
145.08401	0.7
146.05963	0.3
154.06497	0.2
155.06044	0.2
160.07542	0.8
171.09198	0.2
172.07536	9.3
179.20058	0.1
184.69263	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	189.1232
Annotation	N6-Acetyl-L-lysine
Peak:m/z	Relative Intensity
55.05457	1.9
56.04969	0.9
56.96496	1.1
57.04484	1.0
60.08089	1.1
62.55259	0.8
69.03349	0.9
70.06507	17.5
72.07663	1.2
72.08067	26.9
74.07115	3.4
84.04393	1.4
84.08067	100.0
85.08371	1.0
85.98725	1.0
86.05974	1.0
86.09628	11.4
87.04369	1.5
98.97508	1.6
108.05504	0.8
110.07130	0.9
112.07537	1.4
115.03859	1.0
116.07044	4.2
116.45345	0.8
118.08683	1.7
119.01890	1.1
126.09111	36.7
130.08594	6.9
140.13660	0.9
143.11746	3.3
157.03568	1.1
159.33476	0.8
181.04245	0.9
185.02924	0.9
189.12103	1.4
189.13586	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1232
Annotation	Ile Gly
Peak:m/z	Relative Intensity
51.03433	0.3
52.28891	0.3
55.05434	0.4
56.96493	0.3
57.03369	0.3
60.08084	0.3
69.03349	0.4
69.06983	12.3
70.06506	0.7
72.08063	1.4
82.67391	0.3
84.04416	0.4
84.08065	1.9
85.06463	1.2
85.16085	0.3
86.09623	100.0
97.02836	0.3
98.97506	0.7
114.37254	0.3
116.98546	0.4
126.65638	0.3
127.87211	0.3
147.60022	0.3
181.89699	0.4
189.12315	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1232
Annotation	Leu Gly
Peak:m/z	Relative Intensity
50.30363	0.3
55.05454	0.3
69.03366	0.4
69.06979	1.0
70.06505	0.7
72.08063	3.8
76.82771	0.4
81.29250	0.4
84.08067	1.7
85.06445	0.8
86.09621	100.0
87.09956	0.7
92.10860	0.5
98.48055	0.4
101.47710	0.4
189.12314	1.9
203.03825	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56916	0.8
55.05451	34.1
56.23779	0.9
56.93421	0.9
56.96506	11.3
56.96741	1.4
57.03376	1.3
59.04933	100.0
64.34018	1.1
67.05433	16.0
69.03327	3.9
69.06969	5.9
71.04907	16.1
72.93685	4.4
73.06451	5.0
79.05416	3.8
81.06981	5.0
83.04890	6.3
85.02817	1.4
86.09639	4.3
90.78826	0.9
90.94727	1.7
91.05408	2.5
93.06977	4.3
95.04893	2.0
95.08532	59.7
97.06442	1.0
98.97526	1.5
99.07993	1.2
100.69452	1.0
101.05960	18.9
103.05397	3.9
105.06983	4.5
106.06496	1.6
107.08533	1.5
109.10097	18.5
110.07110	6.9
113.05952	6.1
113.09584	5.8
114.37881	1.1
116.98514	1.9
117.06957	1.6
119.08541	1.6
121.10017	1.5
124.26974	1.0
130.04031	1.0
131.04872	1.9
131.08488	5.4
134.99655	1.5
136.06168	1.6
137.09624	8.2
145.10083	1.4
146.06007	2.2
149.01210	4.3
150.96902	1.2
153.23930	1.0
155.10648	5.4
161.90105	1.2
167.02275	1.3
167.97142	1.1
173.13190	4.9
191.06876	1.2
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	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03859	4.1
55.05456	22.7
56.96497	22.2
57.03361	5.2
57.07004	3.3
62.51822	2.5
63.72433	2.4
67.05428	27.3
69.03349	42.6
69.06986	14.5
71.04905	6.5
72.93700	11.4
79.05398	30.8
79.34359	2.7
81.03333	23.1
81.06973	42.2
83.04894	6.8
83.08569	4.3
85.06461	5.9
86.09622	19.5
90.94765	7.2
91.05406	72.0
91.31813	3.3
93.04436	3.8
93.06972	54.0
95.04900	19.4
95.08526	28.7
96.56044	2.8
97.06447	6.4
98.97496	21.7
103.05390	6.2
105.06968	100.0
107.08526	58.7
109.06451	22.5
109.10143	5.0
110.07108	53.0
111.08022	5.9
116.06207	4.3
116.98549	23.1
117.06960	22.2
118.04297	2.7
119.08525	46.6
121.06448	32.5
121.10101	36.3
123.07994	3.2
129.06953	14.6
129.86900	3.0
129.95543	3.2
131.08530	93.9
133.10092	79.4
134.99635	11.8
135.08023	16.9
143.08539	16.4
145.10101	48.1
146.05927	3.9
147.11665	30.5
149.01212	7.0
149.09563	4.7
149.13235	18.4
150.96773	5.7
158.10884	20.2
161.13243	12.6
163.14764	18.5
167.02223	2.9
167.97180	3.2
173.13214	56.6
191.06851	6.0
191.10625	3.3
191.14270	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYL-1,3-CYCLOHEXADIEN-1-YL)-
Peak:m/z	Relative Intensity
51.50711	1.5
55.05456	9.7
56.96494	28.4
59.04928	2.2
61.75438	1.8
63.72891	1.9
65.03857	1.8
67.05439	14.0
69.03343	13.0
69.06983	11.2
71.46360	1.7
72.93694	3.8
79.05402	11.6
81.06963	19.5
83.04906	4.4
91.05401	20.5
93.06961	24.0
95.04897	12.2
95.08523	23.6
97.06464	3.0
98.97526	2.8
103.05420	3.6
105.06967	31.7
107.08536	37.8
109.06495	4.0
112.50220	1.8
117.06999	2.4
118.06512	2.0
119.08524	13.3
121.06457	11.9
121.10101	27.6
123.08022	4.2
128.98560	2.3
131.00101	2.7
131.04959	2.0
131.08519	17.9
133.10106	25.1
135.08032	12.5
135.11623	4.5
135.77441	1.8
137.09576	2.1
143.08542	4.8
145.10103	10.9
146.05969	3.6
147.11642	16.0
148.08757	3.0
149.01180	8.1
149.09592	100.0
149.13274	3.6
155.05373	4.1
158.10876	8.1
163.14830	3.3
173.13220	19.5
180.37967	2.3
191.06996	2.5
191.14270	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05225	2.0
55.05444	18.3
56.96497	9.5
57.07001	2.3
58.17992	1.7
59.04921	2.6
59.39565	1.7
67.05429	13.0
69.03354	16.2
69.06985	18.9
71.04897	2.5
79.05413	24.9
81.03351	2.4
81.06976	35.0
83.04900	15.1
83.08544	3.8
91.05408	35.4
92.10299	3.2
93.06974	47.4
95.04890	9.7
95.08530	33.9
97.06454	8.9
102.58115	2.1
103.05416	8.4
105.06982	50.9
107.04894	34.8
107.08536	100.0
109.06462	29.7
109.10114	9.3
111.08018	4.1
115.05347	2.2
117.06984	9.8
119.08544	25.8
121.06457	62.9
121.10101	99.6
123.08016	20.6
129.06992	3.1
130.07802	2.0
131.08533	47.0
133.10101	43.3
135.08017	36.2
135.11661	9.1
137.78424	1.9
143.08557	8.9
145.10103	26.7
147.11652	25.6
149.01170	4.2
149.09616	35.6
149.13254	15.8
158.10913	13.5
161.09607	2.0
163.11092	2.8
163.14801	16.7
173.13213	44.9
175.35208	2.0
191.06973	3.3
191.14267	88.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05444	5.2
56.96496	10.7
57.03375	0.9
57.06994	1.1
59.72649	0.8
67.05424	5.4
69.03354	7.8
69.06989	3.9
71.04901	0.9
72.93684	1.3
73.02812	1.3
77.16406	0.9
79.05397	6.5
79.82171	0.8
81.06960	3.8
83.04926	1.2
88.36662	0.8
91.05394	12.5
93.06962	7.9
95.04856	1.8
95.08531	1.4
98.97506	2.3
100.57420	1.2
103.05402	3.4
105.06959	21.0
107.04907	2.2
107.08532	20.4
107.09219	1.6
109.06470	4.1
109.10099	6.8
115.05372	1.2
116.98567	2.2
117.06962	4.0
118.04066	1.0
118.07713	1.2
119.08546	6.7
121.06461	1.5
121.10088	15.9
122.07243	4.8
123.08041	1.9
128.02214	1.3
129.06964	1.5
131.00183	1.6
131.01782	0.9
131.08522	10.3
133.10085	100.0
135.07979	5.0
137.09578	14.7
143.08499	2.3
145.10094	5.0
146.05905	2.3
147.11646	4.2
149.01208	4.9
149.09615	1.3
149.13237	8.6
153.58728	1.0
158.10855	2.1
163.07530	1.9
167.02249	1.1
171.91319	1.0
173.13177	7.5
191.06822	1.3
191.14275	8.5
201.28023	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0689
Annotation	N-Acetylmethionine
Peak:m/z	Relative Intensity
52.04144	0.9
53.35840	0.8
54.81383	0.8
55.01831	0.9
56.04973	83.1
56.96497	2.3
57.03367	1.6
57.87252	0.8
61.01080	60.5
61.02868	1.1
61.99319	0.8
68.04950	9.6
69.03339	1.5
70.50550	0.9
72.93700	2.2
73.02821	4.2
74.02338	6.7
74.05988	2.3
76.16883	0.9
81.03355	1.1
84.04420	1.2
85.02836	5.1
87.02608	5.3
90.94752	1.8
91.05402	1.0
97.02836	1.2
98.05982	89.2
98.97536	1.0
102.05484	17.1
104.05263	100.0
110.01248	1.3
110.06802	1.2
116.98583	4.3
118.06478	2.1
119.01835	1.8
122.62920	0.9
124.04011	0.9
125.21587	1.0
127.03822	1.1
128.02321	1.2
131.01794	1.2
132.95801	4.5
133.03149	37.0
134.99675	1.8
137.02838	1.4
138.06290	1.5
143.01907	1.4
144.06534	55.4
146.06245	12.2
146.99631	2.0
150.05807	27.4
150.96866	16.0
156.30873	1.1
167.97095	1.7
173.02812	2.1
174.05476	1.6
192.06483	2.3
192.10173	1.3
193.04878	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0493
Annotation	Scopoletin
Peak:m/z	Relative Intensity
51.72883	0.6
56.16682	0.7
66.59987	0.6
77.03855	0.9
82.79063	0.7
85.90974	0.6
89.03844	0.9
94.04101	1.2
105.03335	1.2
117.03264	0.8
122.03600	11.4
133.02814	69.9
134.03159	0.8
137.05933	20.4
149.05954	3.5
150.03091	7.2
150.87444	0.6
161.02357	1.1
165.05417	4.3
178.02565	41.6
193.04932	100.0
194.05251	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0493
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
54.63620	0.5
54.81936	0.5
55.05427	1.1
56.96507	1.2
60.05553	0.9
69.03353	1.0
70.06506	17.9
71.55187	0.6
72.82342	0.6
81.06963	3.4
83.04893	1.0
86.09611	3.7
89.03835	1.3
91.05395	2.8
94.04092	1.0
95.04874	1.2
102.80392	0.6
105.03320	2.6
105.06961	5.4
107.08495	0.6
109.06438	3.2
109.10107	0.7
110.97509	0.7
111.47199	0.6
115.05416	0.8
116.07009	0.8
119.08508	2.9
120.08098	0.8
122.03585	8.6
133.02809	65.6
133.06422	3.2
133.10077	1.5
137.05945	22.6
146.99663	1.3
147.07906	0.8
149.05957	3.9
150.03105	6.0
161.05913	2.6
165.05403	5.1
178.02562	40.7
193.04916	100.0
193.12224	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0495
Annotation	Scopoletin
Peak:m/z	Relative Intensity
56.35697	0.5
56.96507	0.5
57.70761	0.4
62.79002	0.4
63.71999	0.5
65.03850	0.6
66.04652	0.5
81.03334	0.5
88.57261	0.5
89.03275	0.5
89.03821	0.9
91.05376	0.5
92.10892	0.6
94.04104	2.3
95.04860	0.6
105.03297	1.1
105.06978	1.0
106.58092	0.4
117.03290	0.7
122.03593	10.6
127.47801	0.5
133.02815	67.0
133.06471	1.1
134.03532	0.5
137.05957	20.2
149.02332	2.3
149.05948	4.5
150.03122	7.2
161.02350	0.9
165.05432	4.7
172.41069	0.5
178.02570	44.8
193.04927	100.0
194.05289	2.0
198.52403	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0858
Annotation	Coumaryl acetate
Peak:m/z	Relative Intensity
53.03883	2.0
55.01811	4.1
56.96494	16.2
57.07003	3.5
57.81748	1.9
65.03856	4.3
69.03341	3.6
79.05396	43.9
85.38677	2.6
91.05404	37.2
92.06195	4.2
93.06925	2.4
95.04884	18.0
103.05392	40.7
104.06185	3.9
105.03322	5.6
105.06967	100.0
107.04885	27.0
109.06431	4.7
115.05398	16.3
116.98540	3.0
118.04098	27.2
119.04823	7.6
120.05643	10.3
121.06439	16.4
122.03578	4.7
122.07256	10.0
128.02237	3.0
128.98546	3.3
131.04897	3.3
133.02815	24.8
133.06453	81.6
133.07388	4.9
134.07216	3.1
135.04399	15.7
135.08032	10.5
137.05956	31.6
138.03210	6.1
146.99602	12.0
147.03783	45.8
147.54051	6.0
148.05119	3.5
149.05998	3.7
150.06749	36.2
156.04333	24.2
161.05956	15.0
165.00737	3.2
165.05450	5.2
165.09056	40.6
178.02576	16.0
193.04922	46.1
193.08542	41.4
199.83839	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	193.0858
Annotation	Coumaryl acetate
Peak:m/z	Relative Intensity
51.33278	2.5
51.88916	2.3
53.03880	3.4
55.01795	11.4
56.96491	18.0
57.03367	4.2
57.12102	2.5
69.03351	6.1
73.02812	3.1
75.74737	3.4
79.05013	3.5
79.05408	51.6
81.06972	3.8
85.02836	2.8
87.84740	3.0
90.04603	4.3
91.05412	38.9
92.06181	5.1
92.10255	4.0
94.04100	3.1
95.04872	14.0
98.97486	5.6
103.05399	35.8
104.06192	5.8
105.06258	4.4
105.06969	100.0
107.04888	28.3
109.06474	5.7
114.54159	2.8
115.05394	13.5
116.98562	3.9
118.04121	33.8
119.04911	5.0
120.05644	13.9
121.06477	20.3
122.03593	5.3
122.07222	12.0
128.98561	11.3
131.04863	5.1
133.02820	47.4
133.06442	73.3
134.07213	4.3
135.04343	20.1
135.07971	12.6
137.05952	40.9
137.52905	3.7
140.83138	2.9
146.99638	23.1
148.05177	5.8
148.07512	4.0
149.05957	5.7
150.02994	3.8
150.06740	31.7
161.05957	3.0
165.05411	15.9
165.09050	54.6
174.09149	3.1
178.02634	28.3
190.85086	3.2
193.04906	73.7
193.08521	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.85876	4.3
55.05447	32.9
59.18272	5.7
67.05427	34.2
69.03338	9.6
69.06985	24.0
71.04900	6.9
75.25980	5.8
79.05424	7.8
81.06994	46.6
83.04884	28.4
83.08536	12.1
85.06477	6.8
90.45683	5.3
91.05418	11.7
92.63889	5.6
93.06968	35.5
95.08524	47.7
105.07005	41.0
105.07571	5.9
107.08533	80.7
109.06498	14.0
109.10101	80.8
111.08025	6.7
119.08553	58.6
121.10074	30.5
122.03596	10.3
123.08027	52.9
133.02832	65.2
133.10086	46.6
135.11670	100.0
137.05957	12.0
137.09583	38.1
149.13184	5.5
151.11160	5.7
175.14821	45.7
178.02553	41.2
193.04958	99.9
193.15897	66.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
54.82047	2.7
55.01791	3.6
55.05450	17.8
56.96496	5.0
57.03358	3.5
57.06998	2.0
64.33774	2.0
67.05423	18.8
69.03353	2.6
69.06980	22.7
71.04886	2.7
79.05402	20.7
81.06974	32.0
83.08536	7.2
91.05392	30.7
93.06966	32.0
95.04893	4.9
95.08535	42.4
99.08021	3.5
103.05373	9.8
105.06261	4.0
105.06972	95.3
107.07867	3.1
107.08538	44.8
109.06451	4.6
109.10105	25.8
111.08002	2.3
115.05387	13.3
116.98571	2.9
118.04094	4.7
119.08531	100.0
121.10100	24.3
122.03617	2.8
123.08011	8.0
123.11655	8.2
128.64395	2.0
131.04916	3.1
133.02797	17.3
133.06459	33.8
133.10085	80.2
135.11653	34.5
137.05963	4.4
137.09570	9.4
146.99643	7.5
147.11678	17.0
149.13239	4.0
151.46640	2.0
161.05917	22.8
165.05458	7.3
175.14778	64.0
178.02583	10.3
193.04913	33.7
193.08540	4.8
193.15837	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.00108	1.8
55.01805	3.5
55.05448	42.4
55.58400	2.3
56.96482	9.7
57.03355	3.5
57.06999	4.0
59.61557	2.2
65.35620	2.0
67.05426	38.1
68.84064	2.5
69.03337	10.5
69.06984	38.1
70.40453	2.0
71.04906	5.6
79.05404	31.1
81.06499	4.3
81.06968	82.7
83.04881	16.4
83.08524	15.0
85.06467	3.9
91.05407	31.8
92.10294	3.2
93.06960	66.6
95.04896	17.9
95.07964	4.1
95.08533	100.0
97.06446	9.3
98.00749	2.1
98.97518	10.9
99.08019	3.6
103.05389	10.0
105.06959	89.4
107.08530	89.3
107.09088	2.1
109.06470	31.7
109.10100	51.0
111.08028	4.7
115.05390	9.6
116.98557	5.0
117.06921	4.6
118.04097	3.8
119.08536	92.8
121.10101	23.4
123.08023	27.3
123.11641	29.4
131.08517	3.3
133.02800	13.9
133.06459	22.3
133.10081	54.5
135.11646	52.5
137.05922	2.9
137.09583	26.6
145.10120	3.7
146.99619	2.9
147.11664	12.5
149.13210	24.9
151.11137	4.6
151.14772	3.8
161.05949	20.8
162.47571	2.8
175.14780	66.0
178.02611	9.7
193.04941	30.0
193.14056	3.0
193.15829	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1015
Annotation	2,4,5-Trimethoxystyrene
Peak:m/z	Relative Intensity
51.92405	0.6
53.00237	1.4
53.03875	3.3
54.32713	0.6
55.01798	3.3
55.05435	0.8
56.96499	11.0
57.03357	1.2
65.03824	0.8
67.05414	0.8
69.03336	3.1
69.06987	3.0
70.94165	0.8
71.04892	4.2
71.95168	0.8
78.04609	1.5
79.05402	20.0
81.03332	31.5
81.06994	0.8
83.04858	0.9
84.08056	1.1
85.02799	3.1
89.03835	18.1
91.05394	13.1
93.06946	3.1
95.04880	7.5
98.50974	0.9
98.97490	6.3
103.05398	16.6
105.06966	17.2
106.04063	2.5
107.04886	100.0
107.08525	1.6
109.02812	9.8
109.06452	3.5
111.04382	1.3
115.00626	1.1
115.05396	11.3
116.98549	8.6
117.03316	39.0
117.06933	3.1
119.04832	1.7
120.05660	4.5
121.06422	4.5
123.04362	3.9
124.05136	1.8
125.05948	0.9
127.03840	1.2
127.50792	1.0
131.00111	1.1
131.04878	3.4
131.96082	0.9
133.01671	1.4
133.02850	0.9
133.06435	1.3
134.03587	8.2
134.99617	9.9
135.04381	7.7
135.08011	20.9
137.18080	0.8
139.03862	1.6
145.02808	51.0
145.07550	1.1
147.04367	3.5
148.97284	4.2
149.01192	1.8
149.05939	18.3
149.97180	1.8
151.03896	1.3
152.59216	0.9
153.00647	3.0
153.05363	1.1
154.06248	6.5
162.03122	1.5
163.03809	5.6
163.07503	23.5
165.05399	1.4
167.02242	0.8
167.06982	33.7
171.98849	1.2
177.00638	1.0
177.05417	43.8
179.06992	1.8
180.07816	6.8
195.06378	1.8
195.08463	1.7
195.10071	29.0
195.11650	1.1
195.15686	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1015
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
50.40553	0.6
52.81176	0.6
53.00237	1.0
53.03878	3.0
55.01803	3.5
55.05446	3.4
56.96500	14.9
57.03362	2.8
60.50431	0.6
65.03858	1.3
69.03339	4.5
69.06970	1.5
71.04899	3.4
72.17123	0.7
73.02834	0.9
79.05406	16.2
81.03325	16.4
81.06974	2.8
85.02818	4.3
89.03841	5.5
89.05937	0.9
91.05392	11.1
93.06961	3.1
95.04897	7.4
95.08522	1.4
97.02814	3.1
98.97532	8.3
99.04375	0.9
103.05398	16.7
104.28642	0.7
105.06965	15.1
106.04140	0.9
107.04890	100.0
107.08515	3.3
109.02830	6.7
109.06442	1.3
111.04430	1.1
115.05399	9.1
116.98595	5.6
117.03314	12.6
117.06939	3.0
119.01735	0.7
120.05669	3.7
121.06451	3.6
121.10062	0.9
123.04371	3.0
124.05132	0.9
125.05951	1.4
127.03884	1.1
128.02318	1.5
128.98514	0.8
130.96204	0.8
131.04895	1.3
131.96152	0.8
133.02789	1.0
134.03595	3.3
134.99593	6.6
135.04391	4.2
135.08009	22.4
135.11612	1.3
137.05946	1.5
137.98352	0.9
139.03868	3.3
145.02835	15.8
145.07574	0.9
146.99626	0.8
147.04401	3.0
148.97383	1.2
149.05930	5.9
149.09576	1.1
149.97179	1.0
151.03920	1.2
153.01756	1.8
153.05434	0.8
154.06212	7.5
162.03145	1.3
163.03836	2.9
163.07486	24.2
165.05365	1.5
167.06989	33.9
175.06340	1.3
177.00594	1.4
177.05434	15.2
180.07748	7.2
194.07791	0.7
195.06319	5.1
195.10106	28.9
211.08057	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1015
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.74821	0.5
53.00240	1.0
53.03879	2.4
53.46159	0.6
54.81773	0.6
55.01566	0.6
55.01805	3.6
55.05440	1.0
56.96503	4.9
57.03360	1.2
65.03855	0.9
67.05418	2.4
67.48660	0.5
69.03336	2.7
69.07008	1.9
70.06501	0.7
71.04894	2.9
76.56512	0.6
78.04610	1.1
79.05405	16.9
81.03329	18.0
81.06960	3.3
85.02808	1.3
89.03838	7.3
91.05412	12.5
93.06968	4.9
94.04039	0.8
95.04885	7.6
95.08514	3.2
97.06467	1.2
98.97512	4.5
100.02413	1.0
103.05400	14.4
105.06971	15.6
106.04075	1.4
107.04893	100.0
107.08547	6.1
109.02824	6.4
109.06445	1.1
109.10136	1.0
111.08012	0.7
115.05389	7.7
116.98534	5.1
117.03316	14.1
117.06947	3.5
119.04913	1.3
119.08537	1.0
120.05696	4.2
121.06452	3.2
121.10073	3.0
122.03620	0.6
123.04369	2.7
124.05202	0.7
125.05948	0.9
128.83914	0.5
130.96355	1.1
131.00137	0.8
131.04863	0.7
134.03586	3.3
134.99625	5.4
135.04372	4.0
135.08006	23.0
135.11638	2.5
137.05942	2.7
137.09557	4.6
137.98381	0.8
139.03836	2.6
145.02814	17.9
145.07626	1.2
147.04390	2.6
148.05196	0.9
148.97302	3.0
149.01212	1.1
149.05972	8.5
149.09570	0.6
149.13266	0.8
149.97238	0.8
151.03816	0.6
152.04608	1.5
152.08240	0.6
153.00705	0.9
154.06194	8.5
163.03877	2.8
163.07498	22.0
165.05461	1.2
167.06995	30.7
171.98845	0.7
177.05414	15.1
177.12631	0.8
180.07736	7.2
194.15424	1.0
195.06424	1.2
195.10098	24.7
195.13899	0.9
195.15685	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	195.1743
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.00230	1.9
53.03886	3.3
55.01817	3.5
55.05443	39.3
56.96497	8.7
57.03358	4.1
57.07000	13.6
59.15694	2.2
65.03867	2.2
67.05428	30.0
69.03344	4.9
69.06981	42.8
69.49353	1.8
71.04909	9.7
74.63480	2.4
77.03825	1.8
79.05404	40.0
81.03337	35.5
81.06973	56.7
83.04904	3.6
83.08526	14.3
85.06459	9.8
88.88469	2.4
89.03831	23.6
90.85707	2.0
91.05395	30.1
93.03364	2.7
93.06970	49.5
95.04897	12.8
95.08530	83.0
97.10085	10.7
98.97503	4.9
99.05854	2.1
99.08004	8.9
103.05387	15.0
105.06988	21.8
106.04103	2.4
107.04193	3.8
107.04898	100.0
107.08526	56.2
109.02825	17.5
109.10104	27.3
111.07987	2.3
115.05397	12.2
116.98569	3.6
117.03312	46.3
117.06931	3.2
119.08533	8.6
121.06448	9.2
121.10089	59.3
123.04346	3.0
123.11639	4.8
124.05093	2.5
134.03574	4.4
134.99603	8.5
135.04381	11.8
135.08034	15.6
135.11642	18.1
137.09579	23.8
137.13225	4.6
145.02806	65.0
148.97340	4.4
149.05931	24.7
149.13239	2.4
149.97208	4.9
151.14795	2.8
153.01755	4.5
154.06210	3.8
163.03825	4.6
163.07506	15.7
167.06963	26.6
177.05423	56.5
177.12682	3.5
177.16306	43.4
180.07784	4.0
195.06505	17.4
195.10089	22.5
195.15872	2.7
195.17374	19.6
200.20792	2.5
205.06400	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	197.0809
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03871	0.5
55.01804	2.4
55.05452	0.5
56.61554	0.4
56.96493	2.5
57.03355	0.7
65.03860	1.0
67.05412	1.9
69.03344	1.1
70.95780	13.7
72.93697	7.7
73.02831	14.9
79.05428	0.4
79.93893	0.4
81.03352	0.6
81.06956	0.8
83.03683	0.4
83.74709	0.5
84.04293	0.4
84.08070	0.6
85.02859	3.2
85.03385	0.3
88.96821	5.0
90.94746	2.7
91.03860	0.6
91.05387	3.8
93.03323	0.5
93.06986	0.5
95.04905	3.3
95.08551	0.6
97.02837	0.4
98.97500	0.6
99.04393	0.9
104.91123	0.5
105.06967	0.8
108.02055	2.9
109.02791	0.5
110.03610	2.2
111.04388	2.4
111.98437	6.6
113.96352	1.0
116.98566	1.0
119.04893	2.7
125.05963	7.7
127.03873	0.7
127.07519	0.5
129.99484	7.9
131.97395	0.5
132.95801	12.6
133.06520	0.8
133.10149	0.5
134.99597	0.5
135.04376	1.0
137.05930	1.9
137.06984	1.3
139.03873	0.7
139.04987	0.7
141.05421	7.8
143.08498	0.4
145.02809	0.7
149.04947	0.5
149.05984	3.4
149.48827	0.4
150.96867	45.9
151.03889	100.0
151.05003	10.3
151.07535	2.5
151.96979	0.5
152.04451	0.9
155.97409	4.6
168.97903	4.2
173.96964	0.6
173.98451	16.1
177.05385	0.7
179.06995	14.2
182.05632	4.2
182.08324	0.7
197.00107	0.6
197.08008	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1535
Annotation	Dihydrocarveyl acetate
Peak:m/z	Relative Intensity
55.05190	2.0
55.05448	45.8
56.96484	6.9
57.03362	5.9
57.06993	1.7
67.05421	44.1
69.03336	1.8
69.06981	37.5
70.95792	14.6
70.96115	1.8
71.04901	8.7
72.93681	8.4
74.93075	17.9
79.05418	20.2
80.57276	1.3
81.06968	82.0
81.54446	1.6
83.04881	6.4
83.08533	21.3
85.02810	7.0
85.06452	13.3
90.98614	1.3
91.05405	20.2
93.06952	26.8
95.08526	100.0
97.06470	12.8
97.10094	7.1
99.08002	1.8
105.06975	30.3
107.08544	14.7
109.06448	3.4
109.10052	3.1
111.07999	1.8
111.98389	7.4
117.06956	1.7
119.08533	33.7
121.10053	9.5
123.07999	6.8
129.99483	2.8
132.95790	11.8
133.10088	26.0
135.11641	19.2
137.13226	14.2
150.96851	40.5
155.97351	3.2
161.13222	41.1
168.97815	2.6
173.98468	14.5
179.14293	18.5
197.15318	2.8
198.12695	3.0
198.18478	6.8
212.07281	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1535
Annotation	Dihydrocarveyl acetate
Peak:m/z	Relative Intensity
55.05190	2.0
55.05448	45.8
56.96484	6.9
57.03362	5.9
57.06993	1.7
67.05421	44.1
69.03336	1.8
69.06981	37.5
70.95792	14.6
70.96115	1.8
71.04901	8.7
72.93681	8.4
74.93075	17.9
79.05418	20.2
80.57276	1.3
81.06968	82.0
81.54446	1.6
83.04881	6.4
83.08533	21.3
85.02810	7.0
85.06452	13.3
90.98614	1.3
91.05405	20.2
93.06952	26.8
95.08526	100.0
97.06470	12.8
97.10094	7.1
99.08002	1.8
105.06975	30.3
107.08544	14.7
109.06448	3.4
109.10052	3.1
111.07999	1.8
111.98389	7.4
117.06956	1.7
119.08533	33.7
121.10053	9.5
123.07999	6.8
129.99483	2.8
132.95790	11.8
133.10088	26.0
135.11641	19.2
137.13226	14.2
150.96851	40.5
155.97351	3.2
161.13222	41.1
168.97815	2.6
173.98468	14.5
179.14293	18.5
197.15318	2.8
198.12695	3.0
198.18478	6.8
212.07281	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	0.9
55.01813	8.5
57.03372	9.3
60.08082	3.0
61.02845	5.6
66.45370	0.8
69.03009	1.3
69.03349	26.4
71.04884	2.7
73.02819	8.0
76.02422	0.7
81.03318	3.2
85.02821	100.0
87.04373	1.2
92.10947	0.7
95.06017	17.5
97.02818	22.2
99.04401	9.4
101.02290	4.9
103.03828	1.3
105.52366	0.7
109.02814	4.2
115.03844	3.8
127.03864	37.1
145.04922	26.8
154.13339	1.8
163.05940	9.3
170.32599	0.8
170.97989	0.9
180.08589	1.6
198.12323	0.8
198.18388	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	1.1
54.81831	0.4
55.01809	8.4
57.03370	9.0
60.08092	18.9
60.70889	0.4
61.02852	7.7
68.04952	7.5
69.03346	25.8
69.13996	0.5
71.04910	0.9
73.02829	5.6
81.03322	3.6
85.02824	91.6
91.03882	2.6
95.06013	100.0
97.02821	20.6
99.04371	7.0
101.02295	4.9
103.03838	0.9
109.02818	2.6
111.05491	1.0
115.03884	2.9
127.03868	37.5
145.04921	23.9
152.25171	0.5
154.13356	14.6
163.05956	7.9
180.08675	1.2
198.12381	5.8
198.18501	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27410	0.5
53.03875	1.0
55.01813	8.4
55.24794	0.6
57.03372	11.4
60.50314	0.5
61.02851	8.2
66.66080	0.6
69.03349	27.3
71.01229	0.7
71.04906	2.7
73.02826	9.4
81.03326	4.5
85.02827	100.0
87.04376	0.9
91.03879	1.6
95.06013	5.0
97.02822	26.6
99.04382	7.3
101.02318	5.3
103.03863	1.2
109.02836	3.5
115.03864	4.0
127.03878	38.7
143.70897	0.7
145.04947	24.9
145.06076	1.1
163.05957	12.0
180.08591	2.6
181.02567	1.0
198.18497	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	198.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59408	0.2
55.01806	0.4
57.03368	0.6
60.08092	19.4
61.02851	0.5
62.84958	0.2
68.04948	6.5
69.03342	2.8
73.02837	0.3
75.68985	0.2
85.02818	8.1
92.10342	0.4
92.10860	0.4
92.64730	0.3
95.06013	100.0
96.06356	0.4
97.02838	2.1
99.04373	0.5
101.02294	0.2
109.02882	0.3
111.05515	1.5
120.71733	0.3
127.03864	3.6
145.04987	2.1
154.13353	16.1
160.13664	0.3
163.05980	0.5
182.08052	0.4
189.73518	0.3
198.12343	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	199.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00245	0.8
55.05455	17.1
57.07014	1.9
57.93489	0.5
61.04994	0.4
67.05416	0.5
69.06989	100.0
71.04913	3.4
72.04435	0.7
74.09633	1.9
75.94530	1.0
83.08543	4.5
88.42188	0.4
98.97528	4.6
111.11674	27.2
116.97173	17.1
116.98487	4.2
131.99515	2.8
134.99603	3.9
148.96172	0.7
152.96925	4.5
153.00722	0.6
157.97513	0.5
158.01360	0.6
170.97992	0.9
175.98494	7.2
193.99509	0.4
199.18843	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	199.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32372	0.5
55.05450	8.4
56.96507	5.8
60.17810	0.4
69.37405	0.5
72.04431	15.8
74.09630	100.0
76.92760	0.6
83.08541	11.5
92.10214	0.6
98.97514	35.2
98.98164	1.2
100.07545	26.2
116.97185	2.4
116.98571	35.2
117.10209	2.1
123.60275	0.6
128.71130	0.5
134.99626	28.9
140.00125	0.6
140.04642	0.9
143.00061	0.5
152.96956	0.8
153.00685	5.6
158.01245	2.9
161.55060	0.7
175.98524	0.6
176.02275	0.8
189.95857	0.5
199.17944	19.1
211.27570	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0159
Annotation	Unknow
Peak:m/z	Relative Intensity
62.07485	25.1
62.12334	27.7
68.45644	24.3
127.03864	100.0
144.97984	30.7
146.09486	31.7
176.03485	26.9
198.91682	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.112
Annotation	Masutakic acid A
Peak:m/z	Relative Intensity
53.03876	0.6
54.06054	0.5
55.01815	5.3
55.05451	4.5
56.96500	3.9
57.03366	1.1
57.07011	0.9
67.05425	50.0
69.03342	1.3
69.06977	2.7
71.04902	4.2
71.08546	0.6
79.05410	4.9
81.06968	38.6
85.06467	1.2
91.05406	2.8
92.10867	0.6
93.06958	5.4
95.04889	5.0
95.08524	15.5
97.06462	2.5
98.97510	4.3
99.04398	6.3
99.08039	3.0
99.97862	1.5
107.08537	3.7
109.06473	1.2
109.10102	100.0
111.04340	0.6
113.05983	1.3
116.98566	3.6
117.98912	1.3
118.96722	0.8
119.03579	0.7
119.08503	5.5
121.10114	0.8
123.08041	1.0
125.05923	9.4
128.04155	0.6
134.99634	3.8
137.06068	0.8
137.09587	61.3
142.05804	0.8
143.42557	0.7
145.10117	1.2
147.08005	0.8
155.10641	16.6
155.11824	0.9
165.09058	10.9
183.10135	3.7
201.11171	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	202.2164
Annotation	DDAO
Peak:m/z	Relative Intensity
50.01651	0.8
54.00332	0.9
55.01773	0.8
56.94844	1.0
56.96500	1.4
57.07013	39.6
58.06537	4.3
62.06019	19.8
71.08536	9.8
85.10093	5.1
89.34361	0.9
92.90088	1.1
119.01860	1.2
119.96079	1.2
184.20528	12.5
202.21635	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0524
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04950	1.7
57.03370	2.3
58.06531	6.8
60.04464	1.4
60.78827	1.4
63.11457	1.2
67.91663	1.5
69.03332	1.9
69.06981	17.0
70.06493	2.0
72.08065	8.0
73.02824	1.7
84.08058	23.8
85.02833	1.7
86.09624	100.0
94.43027	1.4
98.09617	2.6
110.07101	1.6
112.11188	58.6
113.31716	1.4
119.01900	8.3
120.02003	2.6
129.13832	21.0
131.01875	3.3
132.12534	1.7
135.59744	1.5
137.02902	1.9
138.03200	1.5
161.02924	9.0
171.57854	1.9
173.02974	3.7
203.05261	51.2
203.22340	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	204.0865
Annotation	7a-Epialexaflorine
Peak:m/z	Relative Intensity
53.03873	1.2
55.01792	2.0
55.83117	0.8
56.04967	0.9
57.03362	4.9
58.06520	1.5
60.04453	100.0
61.02841	5.6
65.40405	1.0
68.04946	14.5
69.03339	5.1
69.06976	4.2
70.06500	1.4
70.07339	1.0
71.01249	0.9
71.04912	1.2
72.04437	2.0
73.02826	6.0
74.36932	0.8
81.03332	5.2
83.01247	1.6
84.04430	23.7
84.08055	5.4
85.02831	15.7
86.09621	24.5
87.09957	6.1
96.04419	19.2
97.02821	25.2
98.06007	3.6
99.04379	5.6
102.05464	1.9
103.03971	1.2
105.28711	1.1
109.02834	1.1
110.05958	1.9
111.52983	0.9
112.11163	8.9
114.05482	13.4
117.05431	1.5
119.01860	4.8
120.03437	1.2
121.01617	5.4
121.96574	4.7
126.05456	13.2
127.03845	3.9
129.13855	3.6
130.14145	0.9
131.01846	2.1
133.36395	0.9
138.05452	1.9
139.02638	1.8
140.10689	1.2
143.01909	1.3
145.04929	1.9
155.01913	1.4
158.11740	9.9
161.02914	4.4
168.06448	1.5
173.02881	5.1
185.02943	1.6
186.07559	1.5
204.05670	1.1
204.08626	18.2
221.05075	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1382
Annotation	Crotamiton
Peak:m/z	Relative Intensity
52.82840	0.3
55.01789	0.4
55.65611	0.3
56.04956	0.3
57.03371	0.4
58.60349	0.3
60.04455	11.6
61.02840	0.5
63.12408	0.3
68.04939	3.3
69.03336	0.6
75.97646	0.3
83.04884	0.4
84.04424	7.5
85.02827	2.9
92.10113	0.7
96.04415	4.7
97.02820	6.3
99.04367	1.5
110.05951	0.7
114.05462	2.4
120.08062	0.7
120.97903	0.5
126.05459	6.7
129.54257	0.4
138.05472	0.6
138.99013	0.4
145.88872	0.4
146.24586	0.4
148.07559	0.5
150.39240	0.4
174.09160	2.9
186.07597	0.6
188.10660	12.6
189.10127	0.6
189.11438	23.4
204.08669	5.0
204.13795	100.0
223.24937	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01805	0.5
56.96471	0.6
57.06734	0.9
57.07012	27.7
60.04459	0.9
61.02841	0.5
63.65486	0.5
63.92758	0.5
65.03873	8.7
68.65932	0.5
69.03344	2.6
79.90570	0.5
81.03331	3.0
81.06995	0.5
85.02822	2.3
93.03323	3.4
94.53654	0.5
97.02825	9.7
98.20924	0.5
99.04390	1.0
103.57903	0.5
105.22836	0.6
109.02839	4.3
111.04395	2.3
119.01852	5.8
121.02824	21.4
121.03912	3.3
122.96428	1.3
127.03883	0.8
136.61133	0.6
137.02957	5.3
142.03468	6.6
146.05977	0.9
149.02313	100.0
150.02678	0.9
160.04497	4.6
167.03358	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	205.0968
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
54.45171	0.2
65.03866	0.3
71.46881	0.2
72.00060	0.2
74.02341	2.3
89.03840	0.3
91.05392	2.6
103.05386	0.3
115.05395	5.4
117.05697	2.8
117.06945	3.9
118.06477	64.4
128.04907	0.2
130.06487	5.7
132.08044	14.0
132.09052	0.5
142.06482	7.0
142.07576	0.3
143.07265	9.7
144.04398	0.7
144.08046	25.5
145.06476	1.0
146.05969	100.0
149.19592	0.2
159.09128	9.3
160.07481	2.3
170.05954	10.1
188.07007	53.6
205.09676	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1182
Annotation	CHEBI:85894
Peak:m/z	Relative Intensity
50.58761	0.3
53.18595	0.2
55.01834	0.3
55.05447	0.5
55.05718	0.3
56.04972	5.4
57.03373	0.4
58.06533	14.4
58.67022	0.3
59.04933	7.6
60.04454	4.0
69.03339	0.3
70.06496	0.3
72.08070	2.6
72.08407	0.3
76.07552	72.1
81.03324	0.3
82.06482	0.5
83.06018	5.8
84.04425	100.0
85.02827	6.5
85.04819	0.4
86.05988	1.3
95.01290	0.4
97.02838	0.7
102.05469	4.2
112.03918	0.4
113.50673	0.3
118.08638	0.5
124.07501	0.4
130.04962	18.6
130.05963	0.6
141.10208	4.6
142.08604	14.4
159.11221	0.7
170.08043	2.2
182.73016	0.3
187.10742	10.3
188.09138	18.2
201.87944	0.3
205.11801	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	205.1223
Annotation	CHEBI:67833
Peak:m/z	Relative Intensity
51.38496	7.3
54.81241	8.2
56.38931	7.2
56.45529	6.8
59.06483	6.5
59.99397	6.8
63.05500	8.0
75.31808	8.1
76.56062	8.9
88.02164	7.8
139.25815	8.4
149.09607	40.1
172.08902	9.1
175.07552	12.8
190.09862	47.1
205.12219	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1223
Annotation	CHEBI:67833
Peak:m/z	Relative Intensity
60.04468	5.0
65.02814	3.7
67.42031	3.5
69.03345	6.3
81.03302	7.8
83.04055	3.9
85.02843	6.4
97.02802	29.1
101.86401	3.5
105.06931	6.5
109.02841	10.0
109.69257	4.1
116.72114	3.7
119.01879	8.5
121.10098	4.6
131.08481	4.2
135.07997	18.4
136.08792	5.1
137.02834	6.3
147.04391	5.2
149.02342	9.6
149.09557	35.7
159.11624	5.2
172.08841	9.1
175.07527	32.7
187.11099	7.9
190.09790	52.9
205.12175	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14768	0.1
53.12142	0.1
54.72749	0.1
54.81703	0.2
56.96518	0.1
58.99780	0.1
60.00563	0.1
62.67371	0.1
77.69780	0.1
80.94870	0.3
82.01354	0.2
82.99773	0.8
84.08035	0.2
88.48904	0.1
100.02406	0.8
101.00803	8.3
112.09943	0.1
118.03437	0.9
119.01873	100.0
120.01944	1.5
121.01596	1.8
121.02220	0.2
121.97429	0.2
122.01961	0.5
122.94154	0.1
123.02058	0.6
124.02377	2.2
124.93871	0.1
133.03429	0.3
137.02927	61.0
138.03052	1.0
139.02568	0.9
140.03026	0.2
141.03127	0.6
142.03473	73.7
143.03616	0.8
145.03654	0.1
146.03564	0.1
146.91812	0.2
146.93719	0.1
156.05069	0.2
160.04520	45.2
160.95959	0.2
161.02902	0.5
161.04659	0.8
163.96786	0.1
164.04588	0.3
165.05061	2.4
174.06165	0.1
183.04347	0.3
183.06116	0.8
183.97517	0.5
184.04626	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1015
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
55.01800	1.0
56.96495	5.7
57.30960	0.8
61.90800	0.8
65.03865	0.9
65.92551	1.7
67.79067	0.9
70.85149	0.8
79.05407	1.4
80.94872	5.4
81.06928	1.1
91.05401	12.0
93.06960	1.7
95.04886	2.3
95.08521	2.3
103.05411	1.7
105.06978	10.3
107.04884	4.1
108.05749	1.5
110.73378	0.9
115.05421	5.3
117.06990	1.7
119.01869	5.8
119.04882	7.0
119.08541	2.0
120.01924	6.9
120.08061	1.0
121.01587	1.0
121.06429	6.0
121.97544	5.0
123.04395	4.1
124.93827	2.2
129.03310	3.6
129.06952	1.1
131.04900	5.7
132.05678	2.1
133.06456	23.2
136.05215	1.8
137.02953	2.0
137.05989	1.2
137.98300	4.6
138.03026	6.1
142.03442	3.5
143.03612	8.3
145.06450	4.0
146.03548	1.7
146.07249	2.2
147.04391	5.0
147.07997	4.9
149.02292	9.2
149.05891	8.6
151.07533	8.3
160.04669	1.0
160.95932	5.1
161.01253	1.0
161.03134	2.4
161.04680	4.9
161.05940	75.0
162.06668	1.9
163.03899	4.4
163.07472	5.6
163.11047	1.1
164.04652	7.9
165.05362	1.0
165.96530	1.2
175.07503	6.4
176.08282	100.0
177.05403	8.3
177.09009	4.9
179.03955	1.3
179.07005	5.2
183.97578	5.4
191.03363	1.3
192.04103	1.6
192.07813	6.5
207.06497	11.7
207.10083	32.2
207.18361	1.1
207.48094	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00252	1.3
56.96490	1.4
57.03101	2.4
57.03371	51.8
59.04926	8.4
59.66992	1.3
65.92557	1.5
69.03350	100.0
71.87776	1.6
73.02819	2.9
75.04391	16.5
79.05434	1.7
80.94867	2.1
83.04824	2.2
83.47856	1.6
84.08054	2.0
85.02343	2.7
85.02828	62.3
87.04389	61.5
91.05392	7.6
92.10393	2.2
97.02827	38.8
102.71046	1.5
105.06930	2.2
105.77843	1.7
115.03877	25.5
119.08555	1.9
121.97491	1.8
131.08505	1.6
133.04927	20.3
143.03603	1.7
143.42392	1.7
147.04285	1.8
147.08092	1.5
160.95943	3.8
161.05957	6.8
207.06439	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	207.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63267	1.9
54.81866	2.0
55.01811	2.2
55.05444	16.1
56.96502	97.8
56.96789	3.3
57.06999	3.9
59.04929	2.4
65.92563	7.1
66.00554	1.6
67.05417	21.0
68.62372	1.7
69.03339	8.2
69.06972	10.7
70.31786	1.6
71.95160	12.8
74.97507	2.3
79.05411	28.7
80.94883	10.6
81.06992	14.6
83.04912	3.1
85.02831	3.6
85.06464	2.4
91.05405	49.0
93.06968	42.5
95.04883	9.3
95.08524	28.8
97.02824	3.4
98.97507	38.5
103.05383	12.5
105.06974	39.1
107.04900	2.5
107.08538	100.0
107.09280	3.2
109.06447	16.8
109.10128	4.0
110.73505	1.9
116.98575	41.1
119.01871	11.3
119.04897	3.6
119.08543	30.6
120.01987	7.8
120.08059	3.2
121.06445	3.6
121.10091	4.8
121.97520	10.1
123.07990	10.3
124.93822	2.4
129.06992	2.5
130.04158	3.4
131.04878	3.9
131.08617	2.2
133.06456	17.2
133.10068	8.6
134.99600	31.0
135.08067	2.0
135.11676	10.3
137.02953	8.9
137.09590	11.5
137.98334	4.8
138.02994	8.0
142.94829	3.3
143.00154	3.6
143.01917	2.5
143.03647	7.7
146.03654	3.0
147.04362	3.6
147.08031	2.6
147.11670	4.1
148.05180	8.2
149.02292	3.9
149.09628	3.1
151.07527	11.8
153.00670	2.6
158.99629	12.0
160.96022	6.6
161.01198	48.4
161.02940	16.3
161.04674	4.1
161.05911	35.6
161.13226	17.3
163.07503	2.1
165.09123	4.0
165.96536	2.9
177.00642	16.9
179.02235	39.0
183.97562	9.0
184.02824	3.6
189.12674	4.3
195.01666	2.7
207.06470	12.7
207.13799	14.7
208.01430	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.40166	0.5
55.01799	0.8
55.05450	6.9
57.07014	5.6
59.04922	0.8
59.94196	0.6
62.60339	0.6
67.05428	35.9
69.03349	1.3
69.06988	1.2
71.04875	0.6
71.35136	0.5
72.73109	0.6
79.05415	3.2
81.06966	5.2
83.04913	1.0
85.06451	4.6
91.05399	6.1
93.06974	11.3
95.04895	2.8
95.08533	100.0
105.06976	8.0
107.08530	10.6
109.06509	1.2
109.10122	1.0
113.05947	2.6
117.57980	0.6
119.08535	10.0
121.06502	1.0
121.10100	6.5
123.08016	23.4
123.11685	2.7
131.08542	1.0
133.10095	1.2
135.11671	3.9
137.09689	0.5
147.08092	0.9
147.11641	3.1
149.09599	11.2
151.14796	0.9
154.70691	0.6
161.13242	4.2
165.12730	2.8
174.10327	0.8
189.12720	3.6
207.13788	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	207.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84215	6.0
53.31715	6.7
55.01794	9.1
55.05443	10.4
56.96492	42.1
58.17353	7.3
65.92527	7.4
67.05424	26.9
68.77853	8.6
69.03333	35.5
69.06986	13.2
71.04899	89.2
79.05406	12.2
80.94872	62.5
81.03328	8.5
81.06973	18.9
83.04896	10.9
83.60064	7.9
84.95923	9.3
85.02801	10.0
91.05412	87.6
93.06975	36.8
95.04887	49.9
95.08526	10.2
98.95892	8.9
105.06927	16.9
107.08513	11.7
109.06467	36.5
109.10092	11.0
114.04931	7.8
115.05265	9.9
119.01870	52.8
119.04881	51.8
119.08534	37.9
120.01923	73.0
120.08067	11.0
121.01608	12.7
121.06437	32.7
121.97488	31.1
122.07217	8.2
123.04333	10.0
123.07997	15.9
124.93804	9.8
124.96597	7.4
133.06445	34.9
133.10127	16.1
136.05153	14.4
137.02928	34.6
137.09579	98.0
137.34077	7.0
137.98283	63.6
138.03053	59.3
140.59731	7.2
142.03519	28.9
142.94937	11.2
143.03583	70.7
146.03612	11.9
147.04395	38.3
147.11609	9.7
149.02292	59.8
149.05980	8.8
149.09584	36.8
149.49123	10.6
151.07532	32.5
160.04521	16.0
160.95946	49.9
161.01193	10.8
161.02936	42.7
161.04634	51.9
164.04622	54.9
165.96429	7.2
179.06967	39.1
183.97589	48.0
192.04132	15.4
198.83467	7.5
207.06465	100.0
207.13730	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.82085	2.3
53.00246	2.4
53.03891	2.2
55.01818	4.7
55.05451	21.2
56.96502	18.5
57.03365	3.2
57.07001	4.0
59.04929	2.0
63.85590	2.4
65.03860	3.3
65.92574	2.3
67.05422	26.1
69.03345	31.4
69.06991	33.2
71.04917	3.8
79.05415	25.9
80.94891	13.1
81.03337	4.1
81.06967	22.4
83.04904	6.0
83.08543	2.7
84.08068	100.0
85.02834	4.7
85.06476	10.9
86.05271	2.1
86.09628	86.9
91.05410	26.6
92.10380	3.3
93.06969	12.4
95.04884	26.0
95.08537	15.6
97.02829	4.0
97.06469	3.3
98.97501	6.0
103.05386	2.6
105.06971	50.4
107.04915	4.1
107.08533	16.7
109.06482	13.9
109.10089	3.6
111.08015	3.0
113.05958	36.8
116.98570	3.9
117.06942	4.4
119.01866	3.5
119.08554	41.3
120.01946	2.5
120.08064	4.9
121.06465	5.0
121.10084	16.0
121.97495	10.5
121.98269	2.5
122.96324	3.3
123.08025	9.9
124.93832	8.5
129.10208	48.7
131.08568	2.8
132.10167	5.1
133.06468	11.2
133.10095	24.7
134.99599	8.9
135.08023	4.2
135.11684	3.4
137.05986	5.8
137.09570	3.3
137.98325	3.0
138.03053	4.2
142.03371	2.6
142.98595	2.8
143.03644	11.2
143.08487	4.0
145.10155	3.3
146.99629	3.0
147.04399	5.5
147.07982	5.6
147.11722	24.3
148.05174	3.4
149.02274	5.5
151.07484	5.9
156.09323	6.0
160.95944	14.0
161.04721	4.9
161.05957	21.2
161.09601	4.1
161.13217	27.9
163.11166	5.2
164.04604	5.0
165.12686	3.6
165.96481	2.7
177.00734	3.3
177.12567	2.6
179.03873	3.0
179.07048	4.5
183.97578	17.6
189.12723	14.7
207.06534	11.5
207.11732	3.9
207.13695	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0638
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06533	37.9
58.33960	1.2
58.99524	34.5
59.04932	86.8
61.29457	1.2
64.18650	1.2
65.35163	1.3
67.05421	1.9
69.03343	16.5
69.06984	15.3
70.06509	8.4
72.08080	1.8
73.01046	2.3
76.02139	100.0
79.05410	5.7
81.06968	6.5
84.08054	6.9
84.73760	1.3
85.02825	1.9
85.72506	1.4
86.05970	2.9
86.09632	2.8
86.98981	25.2
88.03886	2.6
91.05408	1.7
99.02596	7.5
102.82903	1.4
103.05424	2.6
105.00040	30.9
105.06976	18.3
107.04903	1.7
107.30412	1.6
109.06469	3.5
110.48380	1.5
111.04404	1.9
116.05283	6.8
117.06946	1.9
117.13132	1.5
120.08048	16.2
121.08391	6.2
122.02682	77.9
124.80054	1.4
133.85519	1.6
134.09641	7.6
137.05922	8.1
145.03204	1.9
146.06013	3.1
161.03076	1.6
162.05791	40.1
162.09084	12.2
190.05252	2.7
191.07391	1.4
208.06403	5.9
208.09683	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	208.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05448	1.2
56.96500	3.0
58.47979	0.2
63.73252	0.2
67.05418	0.4
68.26832	0.3
73.15455	0.3
75.02702	0.3
82.03642	0.3
82.94790	0.3
84.95940	1.5
92.10249	0.4
121.01620	2.6
139.02675	3.0
144.03204	1.9
154.06447	0.5
161.96130	0.3
162.04260	1.3
168.06789	100.0
169.07106	0.7
174.02579	0.4
181.07541	6.8
197.86343	0.3
208.08656	93.8
209.08992	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0968
Annotation	2-acetamido-4-methylphenyl acetate
Peak:m/z	Relative Intensity
54.33569	0.3
56.96512	0.4
60.04456	49.1
64.51163	0.3
70.23112	0.3
76.52079	0.3
79.05408	28.5
86.44854	0.3
92.10931	0.4
95.04882	0.6
103.05411	10.0
103.07502	0.3
105.06982	0.7
106.06496	55.1
107.04897	100.0
108.05245	0.5
131.04893	37.3
135.04388	0.8
148.07553	15.2
149.02316	1.9
149.05988	3.8
153.05449	1.3
157.90399	0.3
161.81519	0.4
163.03777	0.8
166.02531	0.5
178.52147	0.5
179.14081	0.3
190.08598	2.8
194.02107	1.8
208.09608	0.5
209.04443	5.5
210.24136	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0443
Annotation	FRAXETIN
Peak:m/z	Relative Intensity
56.54267	0.3
56.96495	1.7
60.04448	0.4
65.03848	2.2
67.05415	0.9
67.92410	0.4
69.03333	1.7
69.06969	0.5
79.05398	3.1
81.06961	1.9
82.04111	3.4
82.94693	0.4
83.04900	0.7
83.78569	0.4
84.08062	0.7
86.09602	0.9
91.05406	1.6
92.02515	0.6
93.03318	0.8
93.06953	2.6
95.04881	1.9
95.08514	0.9
96.57601	0.3
97.02829	0.4
98.97454	0.4
105.06976	1.6
107.04192	0.8
107.04895	17.3
107.08525	2.1
109.06433	0.8
109.10096	0.7
110.03648	2.7
117.72380	0.4
120.02048	0.8
121.02795	5.2
121.10067	0.8
125.05886	0.4
129.92325	0.4
131.08548	0.6
135.04367	14.8
135.65651	0.5
138.03088	8.5
145.03941	0.7
145.10094	0.4
148.01543	0.7
149.02309	44.2
150.03021	1.8
153.05424	18.5
162.95804	0.6
163.03859	18.9
165.05405	0.6
166.02582	16.4
177.01778	3.2
181.04912	7.4
194.02061	36.7
209.04407	100.0
209.15295	0.8
210.04735	2.1
217.39497	0.4
229.88333	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0446
Annotation	6,8-Dihydroxy-7-methoxycoumarin
Peak:m/z	Relative Intensity
53.03874	0.8
55.05436	1.5
56.96492	1.5
57.03378	1.2
65.03857	1.2
67.05412	3.0
67.75031	0.5
69.03339	3.4
69.06978	2.6
71.04903	1.2
71.16418	0.5
71.45427	0.5
74.10389	0.5
76.37302	0.6
77.60697	0.5
79.05407	10.1
81.03325	0.6
81.06966	3.6
82.04117	3.2
82.94787	0.7
83.04893	0.8
91.05399	7.1
92.10255	0.8
93.06961	9.3
95.04885	3.0
95.08525	4.8
97.06474	0.6
105.03390	0.7
105.06976	6.5
107.04193	0.9
107.04891	18.2
107.08547	6.5
108.04147	0.6
109.06479	1.3
109.10093	0.8
110.03599	2.9
116.98565	1.4
119.08536	0.8
120.02007	0.6
121.02820	5.3
121.06461	4.9
121.10121	4.7
123.04456	0.7
123.07982	1.3
123.97411	0.6
125.06013	0.6
126.93701	0.9
129.06956	0.6
131.08522	7.1
133.02835	1.5
133.10068	1.3
134.99574	0.6
135.04390	15.5
135.11639	3.1
138.03099	6.0
143.34009	0.6
145.10110	3.1
147.11632	0.7
149.02318	39.4
149.03505	1.4
149.05936	1.1
149.09610	3.5
149.13242	0.7
153.05441	15.8
153.08984	0.9
163.02596	0.9
163.03870	18.9
163.11078	1.1
165.05458	1.2
166.02591	13.0
166.06268	0.9
167.06958	0.9
173.13228	1.2
177.01816	2.6
178.06207	3.8
179.03366	2.8
181.04910	4.9
185.97488	0.9
190.89331	0.6
191.10564	1.1
191.14235	0.8
194.02068	36.8
194.05716	3.4
209.04424	100.0
209.15314	1.4
210.04794	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0444
Annotation	FRAXETIN
Peak:m/z	Relative Intensity
53.03875	0.4
55.05437	0.6
56.96513	0.3
62.36321	0.2
62.76935	0.2
65.03851	1.6
67.05417	0.4
79.05389	1.9
81.06964	0.6
82.04115	2.8
91.05379	1.1
92.02544	0.3
93.03320	1.6
93.06950	0.4
95.04863	0.7
97.06434	0.3
105.03328	0.3
105.06936	0.3
107.04892	16.3
107.08498	0.4
110.03594	2.9
111.70934	0.3
119.08547	0.3
120.02007	1.2
121.02798	5.5
121.10043	0.3
135.04376	15.5
138.03094	7.0
145.03932	0.6
149.02307	43.9
150.02954	1.4
153.05438	18.6
163.03857	18.9
163.05232	0.5
165.05415	0.5
166.02570	14.4
177.01784	2.6
181.04892	6.3
181.18724	0.3
194.02060	36.8
195.02382	0.6
209.04404	100.0
210.04683	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0808
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.24844	0.9
53.03891	8.1
55.01816	20.5
55.05433	1.5
56.96492	4.9
57.03373	1.0
61.02831	1.3
62.77012	1.0
62.95995	1.0
64.33636	1.1
65.03861	12.4
66.04653	1.1
67.05421	6.5
67.92437	1.2
69.03355	2.0
71.04884	1.7
75.04393	10.0
78.04625	17.1
79.05418	10.9
81.03326	1.8
81.06968	4.4
82.94752	1.5
85.02821	8.4
89.03823	8.3
91.04819	2.1
91.05400	59.2
92.06145	1.1
93.03329	15.0
93.06970	18.1
95.04893	30.4
97.06473	9.8
98.97551	1.3
103.05399	23.1
105.03304	4.4
105.04424	3.9
105.06945	4.9
106.04113	100.0
107.04896	6.9
107.08543	5.3
108.05692	1.7
109.06471	7.7
110.03645	1.4
111.04373	4.0
111.08031	1.2
113.52108	1.1
116.98605	1.2
117.03314	5.7
117.06996	1.4
118.04080	1.4
119.04903	4.3
121.06456	67.3
121.10111	1.4
122.07236	1.3
123.04375	5.3
123.07999	1.7
123.97366	1.9
124.05149	4.7
125.05926	14.2
131.04852	4.4
133.02832	1.6
133.10107	1.3
134.03596	16.9
135.04379	6.6
135.07982	2.1
137.05946	21.7
138.06744	5.8
139.07518	4.9
145.02811	4.3
147.04387	2.2
148.05159	10.7
149.05951	67.3
149.09549	4.8
149.13069	1.1
151.03856	4.9
151.07460	1.8
152.08286	1.9
153.05440	6.5
153.09067	9.2
162.03104	1.0
162.95792	1.3
163.03821	1.3
163.07512	6.1
165.05452	1.4
166.06209	4.7
176.04723	1.5
177.05423	20.2
181.08554	12.9
184.17757	0.9
191.06958	5.4
194.05719	1.5
209.04253	1.2
209.08009	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	209.0808
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
50.72272	1.8
53.03881	12.4
53.56704	1.5
54.60288	1.7
54.82044	1.6
55.01802	12.3
55.05442	3.9
56.96495	13.4
57.06979	1.8
65.03859	12.5
67.05415	11.3
67.63403	1.7
67.92429	2.4
69.03339	2.7
71.04895	3.2
75.04379	9.6
77.03872	1.9
78.04634	18.7
79.05412	14.5
81.06964	8.1
82.04057	2.5
82.94741	10.1
83.04887	3.6
85.02838	14.7
88.43899	1.7
89.03829	7.9
91.05403	68.2
92.10296	3.8
93.03344	16.2
93.06979	25.8
95.04903	36.1
95.08523	3.4
97.06458	12.8
97.58354	1.9
103.05405	23.6
105.03339	2.9
105.04465	4.7
105.06950	4.8
106.04117	100.0
107.04862	10.1
107.08515	10.2
108.05695	2.6
109.06462	12.8
109.10127	2.2
111.04384	2.9
116.71654	2.1
117.03339	3.7
117.06972	2.6
119.04908	2.1
119.08558	3.2
121.06460	80.6
123.04406	3.6
123.07973	2.8
123.97427	3.9
124.05164	3.0
125.05961	15.2
126.93761	3.4
131.04916	2.3
131.08549	3.9
133.02832	2.6
133.10100	3.1
134.03615	17.9
135.04416	2.7
137.05972	21.9
138.06685	3.6
139.02689	3.7
139.07475	8.0
148.05124	9.1
149.02341	3.6
149.05940	64.2
149.13179	3.6
151.07535	2.6
153.05399	3.8
153.09077	12.5
162.95827	7.8
163.01921	2.1
163.03943	2.2
163.07465	9.3
165.05301	2.8
174.02625	3.2
177.05434	19.3
181.08556	14.8
185.97438	8.7
191.07007	3.8
197.07620	2.0
209.08116	10.4
209.15329	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44204	1.0
55.01810	1.8
55.05458	1.1
56.96505	11.6
57.03378	4.4
65.03847	1.3
67.05426	4.4
69.03344	1.4
70.06495	1.7
75.04382	6.8
76.56845	1.0
79.05417	1.9
82.94752	4.5
83.04904	1.5
83.97497	1.1
91.05407	17.7
93.06985	2.4
95.04862	2.4
103.05427	1.3
104.16434	1.1
105.06983	11.9
106.04104	7.9
107.04900	1.3
107.08533	100.0
108.49205	1.0
109.06461	9.4
111.04405	1.1
118.21930	1.1
119.06023	2.0
120.15855	1.2
121.06470	9.2
121.99283	2.1
123.97389	2.3
128.42403	1.1
131.04845	1.8
135.04385	1.1
135.08012	48.3
137.05971	2.3
140.00403	4.7
140.33237	1.3
149.02315	1.5
149.05943	8.3
153.09041	1.4
162.95828	5.0
163.01971	5.7
163.07486	1.2
170.97559	1.6
177.05475	1.9
185.97447	4.5
198.55292	1.2
209.04411	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03890	3.3
55.01808	8.4
55.05450	21.1
56.96507	19.3
57.03366	4.6
57.07015	3.8
60.04439	4.7
65.03868	3.0
67.05434	20.3
68.38116	2.3
69.03345	4.7
69.06980	15.5
71.04916	19.1
72.04427	3.2
79.05418	69.0
80.05722	2.7
81.03338	3.9
81.06989	21.5
82.94763	5.2
83.04897	14.6
83.08529	2.8
85.02837	4.6
86.09628	4.9
91.05415	49.2
92.10865	4.4
93.06452	2.8
93.06983	57.7
95.04901	26.0
95.08537	11.0
97.06454	17.2
99.04397	2.6
103.05407	13.7
105.06985	38.7
106.04102	13.2
107.04909	33.3
107.07856	4.2
107.08545	75.8
108.05256	3.6
109.06454	10.4
109.10118	3.1
110.07121	9.5
115.05335	3.5
117.06966	13.0
119.08518	15.8
120.08055	10.2
121.06450	45.0
121.10097	42.7
122.10339	2.5
123.08002	4.6
123.97404	4.4
125.05939	4.7
125.09473	2.9
126.93719	4.3
129.06924	4.1
131.08545	100.0
132.05489	1.9
133.10051	2.8
135.04367	3.8
135.08023	9.5
135.11699	3.9
144.94829	2.8
145.06398	3.2
145.10100	29.2
145.70969	2.3
147.07994	2.6
149.02315	9.7
149.05991	10.8
149.09619	62.3
153.05486	16.1
161.02969	5.3
162.03091	2.5
162.95824	3.9
163.02672	5.1
163.03867	4.5
163.07436	4.2
163.11147	15.5
163.97632	3.1
165.05568	2.1
167.07085	2.5
167.96323	3.4
173.09566	2.6
177.00526	2.7
177.05342	4.8
185.97401	4.7
191.10654	19.3
194.02078	5.5
209.04439	32.0
209.11749	26.2
209.15411	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	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.55581	0.8
53.03895	1.1
55.01826	1.9
55.05454	9.7
56.29947	0.9
56.31397	0.9
56.96499	1.6
57.07009	1.1
60.51648	0.9
64.80303	0.9
65.03857	2.1
67.05424	10.7
69.03358	7.4
69.06994	2.5
78.04626	1.5
79.05424	12.7
81.06978	24.3
83.04912	1.4
91.05411	19.2
93.06976	8.8
94.91857	1.3
95.04900	5.6
95.08544	5.1
105.06979	16.4
106.04120	6.7
107.04904	2.3
107.08540	29.8
109.06478	14.8
109.10101	15.5
115.05404	9.0
117.06992	8.0
117.86923	1.0
118.35829	1.0
118.68650	1.0
119.08527	10.1
121.06459	4.8
121.10097	18.0
122.07242	19.2
123.08035	4.2
131.08498	3.1
133.10103	98.8
135.08028	25.8
137.09596	100.0
147.11687	1.2
149.05992	2.2
149.13234	8.9
173.13258	4.4
185.97530	1.3
191.14308	1.4
209.04582	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.55509	1.3
53.03894	3.8
55.01800	2.9
55.05441	2.8
56.96493	8.0
57.07016	3.1
59.41904	1.3
65.03851	2.7
67.05440	11.8
67.92435	2.0
69.03345	17.1
69.06990	10.3
70.06513	1.4
71.04923	2.4
78.04607	2.3
79.05415	12.4
81.03343	12.5
81.06982	16.6
82.94759	3.7
83.04908	3.2
88.69364	1.5
91.05399	18.2
92.18774	1.5
93.03294	1.7
93.06979	15.0
95.04890	15.8
95.08539	22.5
97.06464	2.3
103.05433	3.8
105.06967	17.8
106.04121	14.3
107.04887	2.9
107.08538	20.0
109.06479	18.3
109.10116	3.2
110.07233	1.7
111.08043	2.2
115.86924	1.7
117.06921	2.3
119.08574	12.9
121.06454	12.5
121.10083	24.1
123.08030	21.0
123.11651	13.4
123.97392	2.3
125.05969	3.0
126.93787	2.2
131.08569	2.6
133.10120	3.2
135.08095	2.4
135.11673	2.7
137.06000	1.5
137.09592	2.7
137.13321	1.9
144.94765	1.9
145.00923	1.9
145.06317	1.4
146.77090	1.8
147.11656	8.5
149.05986	7.6
149.09630	11.4
149.13274	6.3
151.11174	13.6
154.00896	1.5
162.95872	2.6
165.12724	100.0
170.97552	2.1
177.05510	2.8
179.73880	1.5
185.97440	3.1
191.14282	3.3
197.24922	1.5
209.15343	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.63236	1.2
53.03877	1.7
53.79631	1.5
54.10248	1.6
55.01807	5.9
55.05451	34.8
56.96490	9.7
57.03362	3.0
57.07002	11.9
61.91642	1.2
64.34015	1.6
65.03852	3.9
67.05427	25.8
69.03341	12.8
69.06997	16.4
70.06505	1.6
71.04909	3.9
78.04638	2.3
79.05407	25.6
81.03333	2.4
81.06973	40.9
82.07378	1.6
82.94736	2.2
83.04901	29.9
83.08521	2.4
84.08077	3.3
85.02820	3.3
85.06481	2.6
86.15114	1.5
91.05408	30.8
92.10195	2.9
93.03328	2.6
93.06975	40.8
95.04897	11.9
95.08534	36.1
97.06451	8.6
103.05394	3.7
105.06966	22.4
105.91783	2.0
106.04089	11.0
107.04904	6.7
107.08537	55.0
109.06473	24.9
109.10104	39.6
109.42419	1.6
111.07991	3.4
114.79179	1.6
116.98530	1.9
117.06969	2.2
119.08521	14.7
121.06462	23.2
121.10099	21.7
122.07232	2.1
123.08018	100.0
123.11685	3.1
123.97385	2.6
125.05932	2.3
127.07522	17.5
131.08571	15.0
133.10091	12.9
134.03647	2.3
135.08025	13.3
135.11697	6.1
137.09579	8.3
139.07587	3.6
145.10117	2.7
147.11621	7.4
149.02345	2.1
149.05971	6.9
149.09592	6.7
149.13266	12.0
151.11188	5.6
153.09058	10.5
154.09874	15.3
155.10626	3.6
158.10866	2.5
161.13287	2.0
162.95804	2.1
163.07425	2.0
163.11211	1.6
167.96346	1.9
173.13228	7.5
177.05380	1.7
185.97375	3.9
188.82411	1.6
191.06967	1.9
191.14246	10.1
209.04433	3.0
209.07996	2.4
209.15312	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	209.1536
Annotation	Nopyl acetate
Peak:m/z	Relative Intensity
51.22570	2.2
53.03872	3.6
55.01806	5.8
55.05443	19.2
56.96511	38.2
57.03366	3.9
58.45866	2.6
62.07484	2.8
64.33808	2.9
67.05422	21.1
67.92445	3.0
69.03343	6.8
69.06981	6.3
70.06493	4.3
71.04897	18.8
73.02818	3.5
78.04616	3.6
79.05408	33.5
81.06979	45.7
82.94750	13.5
83.04905	4.5
85.06451	4.5
91.05409	48.3
93.06960	73.2
95.04881	23.8
95.08537	71.9
97.06464	15.6
103.05415	5.0
105.06973	58.6
106.04109	25.5
107.04918	5.0
107.08534	60.6
108.85838	2.9
109.06490	16.7
109.10113	14.6
115.05390	4.7
117.06964	6.9
119.08532	100.0
121.06460	23.5
121.10118	28.7
121.99326	4.3
122.07207	13.8
123.07989	3.3
123.97426	7.5
126.93750	5.6
130.59177	3.2
131.08501	13.3
133.10098	62.6
135.08015	12.9
135.11678	25.8
137.05911	3.8
137.09589	53.3
144.98111	5.3
145.10065	7.8
147.11694	7.1
149.02264	4.7
149.05945	17.6
149.13211	12.4
153.09058	5.6
161.13235	13.6
162.95837	5.9
163.01918	6.6
163.07454	3.8
167.96376	3.4
169.07138	4.2
173.13312	4.1
177.05434	5.4
185.97383	6.6
191.14281	6.8
209.04471	4.9
209.15364	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03886	3.1
55.01574	1.4
55.01811	9.3
55.05450	25.7
56.49022	1.5
57.03372	9.6
57.07007	9.0
59.04934	10.0
61.19044	1.3
63.85083	1.5
67.05430	34.1
67.30957	1.4
68.99695	3.4
69.03359	10.8
69.06992	30.8
70.44839	1.3
71.04914	16.5
78.04601	1.3
79.05408	32.2
81.03342	3.7
81.06976	49.5
83.04898	26.7
83.08533	10.9
85.06478	16.5
91.05396	28.6
93.06971	74.7
95.04898	23.6
95.08531	45.0
97.06486	15.0
99.08017	19.8
103.05393	2.9
105.06988	40.5
106.04118	6.6
107.04913	17.5
107.08537	89.7
109.06474	23.3
109.10107	32.0
111.04410	1.7
111.08061	11.3
115.05403	1.9
116.29147	1.6
117.06989	8.0
119.08553	16.8
121.06456	34.3
121.10100	71.0
123.08028	30.2
123.11652	7.3
125.05967	6.8
125.09579	13.9
129.06950	2.3
130.86961	1.4
131.08530	30.2
133.10097	46.6
135.07990	22.2
135.11693	6.2
137.05878	1.8
137.09615	8.1
139.07544	8.9
139.11160	3.8
143.08530	2.7
145.10120	9.4
147.11699	10.5
149.05934	3.1
149.09598	100.0
149.13232	21.2
151.11162	54.1
151.12367	2.1
153.09045	9.2
158.10884	3.5
163.11118	6.3
163.14780	17.0
167.07079	2.6
173.13232	22.7
191.14259	24.3
209.15312	24.7
227.51814	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.86990	1.5
55.01810	2.0
55.05445	16.3
56.96481	2.7
57.03360	1.7
57.07014	2.7
61.02844	2.1
64.72637	1.5
67.05426	13.0
69.03347	100.0
69.06982	13.1
71.04909	2.9
71.49194	1.8
79.05401	28.6
81.03332	3.6
81.06973	41.2
83.04909	7.8
83.08509	3.1
85.02825	2.7
85.06469	3.6
91.05410	20.9
93.06968	37.1
95.04895	10.9
95.08549	18.1
97.06436	4.2
97.10100	1.9
105.06968	35.0
107.04898	10.2
107.08535	40.8
109.06461	39.6
109.10099	4.3
111.08011	3.9
117.06982	6.2
119.08538	20.5
121.06434	2.5
121.10094	26.6
123.11661	4.3
124.64995	1.6
127.07464	2.1
131.08530	20.2
133.10092	34.5
135.04399	3.3
135.07990	11.3
135.11632	11.4
138.03099	3.5
141.97617	1.7
143.08479	2.2
145.10071	3.5
147.11667	2.9
149.02284	19.1
149.09581	3.6
149.13229	8.0
151.11153	2.2
153.05460	7.2
158.10921	2.3
161.13184	2.0
163.03879	8.1
163.14775	10.3
166.02530	3.7
167.06921	1.6
173.13203	19.8
181.04948	2.1
191.14264	19.3
194.02034	11.2
209.04404	46.1
209.15347	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.17560	1.7
55.01769	1.8
55.05444	42.4
56.53706	1.6
57.03366	2.0
57.06996	9.0
67.05416	13.4
68.02181	1.9
68.99691	2.6
69.03345	38.3
69.06981	20.6
71.04861	3.1
79.05377	5.2
81.06965	23.6
83.04895	22.0
83.08508	9.3
85.06459	13.5
91.05382	12.1
92.10213	2.7
93.06973	27.1
95.04891	8.8
95.08538	24.1
97.06448	4.1
97.10104	17.7
99.08012	14.9
105.06947	14.1
107.04876	2.7
107.08534	54.1
109.06448	11.4
109.10086	15.5
110.07120	9.5
111.08041	8.9
113.05917	4.3
119.08519	5.3
121.06422	3.9
121.10097	34.3
123.07992	3.8
123.11623	4.2
125.05965	3.2
125.09578	89.3
127.07491	2.7
133.10092	11.4
135.07942	15.9
135.11674	5.0
137.09569	3.6
139.07533	5.3
139.11116	4.4
145.10072	2.9
147.11684	2.4
149.09586	100.0
149.13176	11.3
151.10004	3.0
151.11139	66.0
153.09062	9.7
154.09741	1.9
163.14783	4.7
173.13202	10.8
191.14301	25.3
201.01511	2.2
209.15349	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.00247	1.8
53.03881	2.9
54.99907	1.5
55.01813	6.2
55.05450	69.5
56.96502	42.9
57.03368	9.1
58.75172	1.5
60.36296	1.6
61.02846	2.1
67.05434	14.2
67.92428	2.5
69.03348	13.8
69.06984	17.8
70.06496	7.6
71.04904	12.5
71.74314	1.9
72.08069	4.1
73.02820	3.9
79.05405	16.9
81.03321	4.2
81.06963	12.0
82.94749	8.1
83.04901	31.6
83.08527	26.5
84.08046	21.1
85.02818	10.6
85.06482	1.7
86.09612	11.1
88.67221	1.4
91.05410	19.4
93.06973	32.1
95.04887	100.0
95.08543	4.0
96.04417	2.6
97.02811	10.4
97.06451	8.7
97.10094	4.0
98.03165	2.2
98.97486	10.9
99.04369	8.0
103.05344	2.1
105.06978	18.0
107.04888	7.6
107.08534	29.3
109.02834	2.7
109.06458	11.3
109.10113	17.0
110.01216	2.1
111.08022	10.2
116.98557	13.0
117.06993	3.8
119.01784	4.1
119.08528	8.4
121.02785	2.7
121.06451	4.2
121.10085	46.8
123.11639	4.0
123.97382	6.4
125.05912	2.4
125.09578	6.8
126.93716	3.8
127.03903	2.2
127.91858	1.9
128.02264	12.7
128.98532	2.7
129.10197	5.9
131.08542	20.0
133.10062	12.2
134.99600	4.0
135.08022	2.9
135.11649	3.2
137.02808	11.0
138.03052	3.0
139.02602	2.1
143.08498	2.1
145.06522	2.2
145.10107	10.1
147.11720	2.4
149.01265	5.2
149.02293	3.6
149.05925	2.3
149.09595	6.6
149.13203	2.8
151.11169	17.8
153.05455	2.0
153.09062	8.6
158.99643	2.2
161.04843	3.1
162.95848	3.4
163.07471	3.3
163.11154	6.6
166.02635	3.9
167.02216	2.9
167.14288	25.1
173.13258	3.4
179.05884	7.1
185.55817	3.3
185.97424	7.0
191.06898	3.4
191.14249	3.5
194.02049	30.4
209.04433	14.5
209.11649	1.9
209.15318	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	210.9404
Annotation	Unknow
Peak:m/z	Relative Intensity
63.18507	22.3
72.45114	21.4
73.81591	22.4
77.69210	24.7
100.17104	23.7
210.93954	100.0
233.13977	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	211.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80635	0.5
55.05442	0.7
55.39193	0.4
56.96502	8.0
57.03370	0.6
57.07011	0.4
60.50187	0.4
65.03893	0.6
67.05413	1.0
68.02506	0.5
79.05389	2.1
81.06963	1.0
84.95945	0.5
91.05386	4.8
93.06906	0.7
94.04105	2.0
95.04887	2.2
95.08510	0.5
105.06985	3.4
107.04896	1.0
109.06448	3.2
110.53043	0.5
119.04882	7.0
122.03596	8.4
127.55335	0.5
133.06439	0.9
134.61023	0.5
137.05940	100.0
139.03893	0.8
147.04324	6.0
150.97679	0.5
151.07478	5.1
153.05438	3.0
154.06187	1.9
155.52806	0.5
163.03874	1.0
178.06190	1.0
179.06961	3.7
190.17621	0.5
211.09576	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
50.56380	1.1
51.66776	1.1
55.05455	19.4
55.36798	1.3
57.07010	4.5
59.04903	1.2
64.21912	1.1
67.05426	38.3
69.03352	13.1
69.06985	20.3
71.04918	1.5
79.05408	6.9
81.06974	38.6
83.04897	12.1
83.08550	11.8
85.06471	2.8
89.81882	1.1
91.05418	5.8
93.06967	15.3
95.04887	2.1
95.08537	44.5
97.06450	2.0
99.08020	1.3
105.06981	7.5
107.08534	29.6
109.06443	13.9
109.10105	100.0
111.08025	1.4
119.08535	19.4
121.10104	8.3
123.08012	15.7
123.11657	11.1
133.10104	13.1
135.11664	49.2
137.09595	12.6
147.11644	1.6
149.13240	5.4
151.11162	15.4
151.14764	9.2
165.16385	1.5
175.14809	9.6
182.33188	1.4
193.15862	13.1
211.16957	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
55.05230	1.1
55.05454	21.5
56.96500	2.2
57.06998	5.8
59.04911	1.3
59.20184	1.0
67.05077	1.7
67.05428	46.2
69.03358	12.7
69.06985	16.0
71.04881	5.0
71.08533	1.0
73.39891	1.0
79.05402	5.7
79.52813	1.0
81.06972	37.7
83.04893	13.8
83.08543	9.8
85.06469	4.2
91.05386	4.0
93.06976	15.9
95.04883	2.3
95.08533	42.3
98.97506	1.5
99.07996	1.7
99.95673	1.1
105.06964	10.2
107.08530	31.3
109.06450	16.3
109.10105	100.0
111.08024	2.0
113.06902	1.0
116.98553	1.4
119.08519	19.6
121.10081	8.9
123.08035	15.7
123.11621	8.1
133.10091	16.9
135.11655	51.5
137.05894	1.4
137.09586	16.8
147.11617	1.1
149.13235	4.6
151.11176	11.4
151.14775	9.4
153.12697	1.4
158.91803	1.3
165.16284	1.2
175.14799	13.1
193.15790	10.6
197.97931	1.1
211.16968	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
51.07830	1.7
53.00258	1.9
53.03857	2.2
55.01810	3.0
55.05450	35.0
56.96501	15.4
57.03360	3.6
57.06992	8.7
59.88532	2.1
61.02866	2.0
62.82597	2.1
65.03854	2.4
67.05427	35.6
69.03339	15.4
69.06979	35.3
71.04920	3.2
73.02832	3.4
75.48901	1.9
75.79223	1.9
79.05399	13.1
81.03308	2.0
81.06972	55.7
83.04893	15.6
83.08517	11.3
85.02804	4.8
85.06448	2.6
91.05402	20.1
93.06966	41.3
95.04884	11.3
95.08532	64.8
97.02815	4.6
97.06467	2.4
98.97507	10.5
99.08015	2.2
103.05370	2.5
105.06969	32.6
107.08529	56.8
109.06442	11.3
109.10098	100.0
111.08015	4.6
116.98576	4.1
119.08528	54.6
121.10086	22.3
123.08028	20.0
123.11670	23.5
125.09559	3.0
128.98567	3.8
133.10089	34.8
134.99611	2.8
135.11656	52.4
137.05891	18.8
137.09599	13.8
146.99648	4.1
147.11632	8.4
149.13248	5.1
150.73193	2.2
151.11119	5.3
151.14801	4.9
155.23636	2.2
155.54109	2.4
167.06985	4.7
168.85098	2.1
170.99532	2.5
175.14777	36.0
193.15875	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	211.1691
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03873	1.9
55.01816	3.6
55.05217	2.3
55.05447	35.6
57.03363	3.6
57.07006	19.1
59.04934	6.7
63.31619	1.4
63.60957	1.4
65.03869	1.6
67.05421	66.3
69.03332	9.3
69.06978	48.1
71.04907	19.2
71.08549	2.0
74.26974	1.4
79.05395	22.3
81.03284	1.9
81.05677	1.7
81.06514	3.0
81.06969	81.9
83.04903	20.1
83.08540	12.9
85.02792	2.1
85.06469	15.5
85.42989	1.4
91.05392	19.6
93.06966	45.9
95.04890	16.7
95.08526	100.0
97.06446	9.5
97.10052	4.4
99.17079	1.7
103.76532	1.8
105.06979	23.1
107.08527	61.9
109.06473	16.5
109.10106	64.0
111.08035	13.0
119.08527	53.7
121.10086	10.3
123.08008	9.2
123.11655	37.6
125.09566	6.6
133.10100	27.4
135.11646	42.1
137.05956	2.4
137.09601	18.5
147.11671	7.2
149.13242	10.7
151.11150	3.6
151.14827	2.8
153.12753	2.8
161.72826	1.7
171.96535	2.2
175.14790	28.5
193.15889	15.0
211.16887	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	212.0916
Annotation	Methyldopa anhydrous
Peak:m/z	Relative Intensity
53.03877	2.9
55.01815	2.8
56.96498	11.2
57.03372	13.0
61.02856	7.7
65.03860	7.9
69.03333	11.1
70.06509	10.4
73.02838	12.2
73.78656	1.7
79.05408	6.9
81.03333	4.0
83.04900	2.0
83.17462	1.8
84.04402	2.0
84.08089	2.1
85.02815	17.1
87.04387	2.8
91.05414	15.6
93.03306	20.2
95.04869	3.6
97.02825	9.8
98.05936	2.4
98.97493	29.9
99.04393	2.1
106.06486	21.9
107.04906	3.5
109.02808	2.6
110.01219	3.3
110.03631	3.1
110.07104	2.9
110.97504	7.0
111.04381	46.6
116.98588	18.9
119.01783	9.3
119.04906	7.5
120.08088	2.2
121.06451	33.6
125.05955	55.3
125.06932	4.0
127.03884	3.0
128.02322	3.5
128.98566	15.0
131.01915	2.5
134.03627	2.2
134.05971	42.4
134.99585	2.7
136.07524	4.0
137.05995	3.3
138.10222	13.2
140.02145	1.8
146.99658	15.4
149.05949	92.1
151.06262	3.6
152.07050	2.1
153.05426	100.0
158.99635	3.8
161.01190	3.4
161.02847	2.8
165.00668	2.2
166.08582	72.4
166.09761	34.2
170.99542	3.1
173.01208	1.9
173.02937	4.1
176.81528	1.9
177.00679	2.6
177.05406	2.7
180.59166	2.1
184.10728	7.2
185.02921	2.6
189.00615	8.7
194.08066	9.7
195.06438	33.4
195.86177	1.8
207.01695	2.1
211.12469	1.7
212.10469	30.5
219.01793	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	212.0917
Annotation	CJ 14877
Peak:m/z	Relative Intensity
50.16442	1.4
52.01289	1.4
53.03874	2.1
55.01802	4.5
55.05446	3.7
56.96509	18.2
57.03360	10.5
61.02844	11.1
66.44609	1.6
67.05407	2.6
68.43478	1.8
69.03333	12.9
70.06476	1.8
73.02818	9.6
79.05403	18.8
80.04931	8.8
81.03337	10.3
81.06964	2.1
82.06514	1.8
83.04894	13.4
85.02815	18.6
87.04399	9.0
91.03887	7.9
91.05400	4.3
92.10842	2.8
93.06974	3.0
94.06490	55.9
95.04892	4.3
95.08551	2.2
96.04417	2.2
96.08047	17.5
97.02821	12.0
98.05991	1.8
98.97509	16.0
102.05460	2.0
103.05401	2.2
105.06932	2.3
106.06506	24.6
107.04912	2.5
108.04422	2.2
110.05956	2.3
110.07153	2.8
110.97523	1.9
111.04395	17.1
116.98550	18.2
119.01785	3.3
120.08047	7.7
122.05956	2.6
122.09586	2.6
124.07549	29.9
127.03857	8.1
128.02283	2.3
128.98532	4.0
134.05969	68.5
134.99596	9.2
136.07559	14.5
138.09163	1.9
145.04878	2.7
146.99605	16.4
148.07552	30.2
148.97356	3.6
152.07036	100.0
153.00743	2.2
154.08592	8.6
158.99756	2.0
164.07007	3.2
165.00682	2.3
166.08589	34.8
167.07027	3.2
168.07341	1.8
177.00699	7.9
184.09616	3.3
189.00633	9.7
194.02620	8.4
194.08067	29.4
194.15482	2.5
207.01939	2.0
212.09117	23.2
212.16551	2.6
219.01598	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	213.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81765	8.8
55.01816	15.9
57.03360	21.0
61.02843	41.5
62.72324	8.8
69.03332	38.6
70.06486	48.4
70.46283	8.4
73.02836	86.1
81.03300	13.9
81.58990	9.5
85.02838	100.0
87.50800	8.5
92.10278	21.2
95.88543	8.4
96.02355	16.6
97.02818	45.6
97.77528	8.1
110.07133	12.2
111.02911	12.6
119.01862	55.3
120.01922	10.4
127.03873	21.1
131.01862	20.0
137.02927	12.3
138.03268	9.9
143.01846	41.4
155.01849	14.8
161.02896	85.7
162.02997	12.6
173.02931	90.5
175.02661	14.4
177.01198	10.6
185.02925	49.9
186.03110	10.7
203.03990	22.6
213.12274	20.3
225.01497	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	213.1484
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
51.76070	1.0
55.01818	18.1
55.05453	100.0
56.96497	1.2
57.03354	1.2
59.04922	2.1
67.05131	1.5
67.05435	27.1
69.03332	6.6
69.06994	16.2
71.04908	60.9
79.05408	22.0
81.06577	1.6
81.06982	31.6
83.04881	6.5
83.08541	56.2
84.67940	1.0
85.06458	6.1
87.04387	6.5
88.07534	1.5
91.05382	5.5
93.06973	19.0
95.04875	2.9
95.08539	11.1
97.06467	66.4
97.09486	2.1
97.10103	63.5
101.09585	1.8
103.83051	1.1
105.06979	2.8
106.22529	1.1
107.08539	23.8
109.10085	7.8
111.07994	2.9
115.03419	1.2
116.98431	1.3
117.06938	5.5
119.08454	1.3
121.10073	1.2
125.09589	33.4
131.08543	2.9
133.10121	1.4
135.08029	6.3
135.11633	6.0
147.11688	1.4
149.13185	1.8
155.11357	1.3
159.11688	3.0
169.12338	1.3
177.12733	2.9
189.11234	2.6
195.13771	28.9
213.14813	74.2
214.33740	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
55.01813	3.5
55.05457	31.4
56.96499	15.7
57.03367	15.9
57.07005	9.5
61.02853	3.7
67.05431	87.1
67.91072	3.3
69.03338	4.8
69.06992	30.2
70.06492	6.8
71.04933	5.7
74.65076	3.1
79.05408	52.6
81.06974	100.0
83.08541	24.5
88.07568	36.0
91.05409	29.9
92.10844	5.6
93.06969	75.0
93.36219	3.6
93.78897	4.0
95.04905	15.8
95.08540	33.8
97.06453	16.2
98.55286	3.5
98.97566	4.4
105.06976	6.6
107.08546	30.2
111.04417	3.8
111.07998	5.2
116.98568	4.9
121.10107	16.6
131.08537	6.2
133.10098	7.7
134.99632	9.1
135.09163	4.7
135.11650	4.2
149.01180	4.5
149.13225	15.8
149.94002	4.8
152.93181	4.3
159.11623	14.3
167.97147	4.4
185.07155	13.0
195.09157	15.3
195.13756	4.4
214.41888	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	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
52.68024	1.7
55.01812	4.5
55.05453	30.8
56.96497	16.1
57.03358	5.3
57.06992	4.8
58.67379	1.9
63.12746	2.2
65.38937	2.3
65.60152	2.1
67.05428	70.7
69.03329	2.5
69.06992	30.6
70.06499	5.6
71.04908	3.4
72.93690	4.5
79.05403	43.7
81.03305	4.3
81.06973	100.0
83.04897	11.2
83.08540	23.7
84.76376	2.1
85.06425	2.0
88.07531	25.3
90.94769	4.3
91.05415	22.0
92.10839	3.2
93.06963	49.3
95.04887	10.5
95.08524	27.2
97.06459	13.7
97.47342	2.4
98.05994	2.1
98.97546	2.7
105.06950	9.3
105.56683	2.6
107.08546	27.2
109.10116	3.2
111.04365	3.1
111.08018	3.6
113.06026	2.9
115.91110	2.4
116.98573	3.0
117.06927	3.9
119.08510	2.8
121.10085	11.6
123.11649	2.6
131.08522	4.7
133.10091	5.7
134.99612	3.5
135.11673	14.5
148.97304	3.8
149.13214	18.9
149.93990	3.4
159.11688	9.6
167.14313	2.4
167.97131	2.7
185.07065	5.6
195.09093	5.6
195.13788	3.3
213.14568	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	213.1848
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
55.01815	2.3
55.05447	100.0
56.96492	12.7
57.07016	30.7
59.04934	3.6
67.05421	11.4
69.03335	3.8
69.06984	76.2
70.06501	3.0
71.04916	4.0
71.08537	15.0
72.93694	10.4
73.06461	3.3
74.19208	2.1
79.05399	11.3
81.03294	3.0
81.06969	29.1
83.04910	2.6
83.08531	47.9
88.07555	20.9
90.94770	2.5
91.05416	3.3
92.10898	5.1
93.06976	25.3
95.04919	3.4
95.08528	28.8
97.06434	10.1
97.10101	46.6
98.05964	2.7
98.97493	4.9
105.06980	3.7
107.08513	22.3
109.10132	3.1
111.08002	11.8
111.11676	10.1
121.10047	17.2
125.09612	4.4
127.49976	2.7
134.99632	5.5
135.11670	4.0
137.13164	2.6
145.39804	2.6
148.97342	3.9
149.09630	3.5
153.00644	2.5
167.97209	2.7
171.65936	2.5
177.16324	21.5
185.06960	3.6
190.98615	2.4
191.74173	2.6
195.09187	9.3
195.17451	10.7
213.16374	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	214.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	0.8
55.05449	24.0
55.23009	1.0
56.96486	6.2
57.01694	0.8
57.03372	2.0
57.07000	4.1
59.66092	0.8
60.95780	0.8
67.05427	51.7
67.38310	0.9
68.04936	0.9
69.06646	1.3
69.06986	23.3
71.04903	5.5
71.24337	0.8
72.93690	5.7
78.62485	0.9
79.05404	8.7
81.03308	1.1
81.06971	54.3
82.06552	1.0
83.04893	3.6
83.08533	17.1
85.06458	5.9
90.90302	1.6
90.94745	7.3
91.05383	6.2
93.06968	7.3
95.04898	2.2
95.08528	100.0
96.08783	0.9
97.06453	6.3
97.10092	2.3
98.97508	1.2
99.08006	1.7
105.06949	4.7
107.08511	1.7
108.51808	0.8
108.95810	1.7
109.06542	0.9
109.10101	17.8
119.08521	6.0
121.10046	1.6
123.06743	1.1
132.95723	1.2
133.10103	4.9
134.99585	1.3
135.11652	1.8
136.07487	0.9
137.09587	1.5
137.13234	4.3
149.94017	3.5
149.96068	1.3
150.96864	17.2
161.13210	13.7
167.67339	0.9
167.97133	5.5
168.10141	1.4
168.97798	1.1
179.14310	8.3
190.98755	1.2
191.97137	1.8
196.09662	1.5
197.15291	4.0
214.10651	4.6
214.17877	2.1
215.16341	5.7
216.68445	0.9
233.17668	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61244	1.9
55.05459	2.3
56.96492	4.2
57.07009	68.6
58.02889	9.0
61.87345	1.9
63.40986	2.2
67.05421	3.1
69.07018	2.2
71.08541	28.3
73.29655	1.7
74.09625	3.8
85.10103	12.1
88.07574	7.8
92.10831	3.3
95.04887	3.5
96.68490	2.0
98.05965	2.5
102.09117	16.4
116.10669	5.3
129.59511	3.0
150.96774	4.7
196.09607	2.5
209.99515	2.3
214.10732	5.1
214.21632	100.0
214.25084	29.8
215.21877	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	214.2528
Annotation	Tetradecylamine
Peak:m/z	Relative Intensity
56.96493	1.6
57.07009	20.0
60.83837	0.6
63.06518	0.7
71.08538	6.8
72.93731	0.7
74.75027	0.7
85.10105	1.4
85.87340	0.6
88.62227	0.6
95.04869	1.2
105.17082	0.6
119.35499	0.7
214.10674	0.8
214.25252	100.0
215.25584	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01873	0.2
54.81628	0.2
55.78849	0.2
70.06503	0.4
70.95779	1.1
72.08075	0.3
72.93688	3.2
81.03329	0.4
81.06985	0.3
84.08046	0.4
86.09661	0.3
90.94742	3.3
91.05420	0.3
98.97491	0.4
105.06918	0.3
108.95808	0.6
113.06216	0.2
115.05399	1.6
116.98557	0.9
122.32990	0.2
132.95795	6.8
134.99635	0.3
139.01804	1.1
142.06505	3.1
146.06012	0.5
149.96046	1.2
150.96861	20.3
154.06496	1.3
155.06982	0.4
167.97104	1.7
168.06792	1.1
168.11285	0.2
168.97879	1.2
169.07567	100.0
170.05943	0.4
170.08044	0.5
171.09111	0.5
173.98386	0.5
191.97130	2.6
197.07101	1.1
209.98145	2.1
215.08116	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.139
Annotation	d-Dethiobiotin
Peak:m/z	Relative Intensity
53.03865	0.7
55.01798	0.5
55.05445	5.0
56.04965	2.2
56.96502	3.8
57.06991	0.7
58.06541	0.9
62.32794	0.5
64.22115	0.5
66.82788	0.5
67.05080	0.6
67.05424	13.3
68.04943	0.5
69.03323	0.8
69.06985	13.8
70.06519	5.2
71.04910	1.0
72.93686	2.3
79.05396	3.5
81.06969	7.0
82.06489	0.6
83.08511	0.8
84.08045	1.3
85.02827	0.7
86.05995	0.6
86.09600	1.1
90.94738	2.8
91.05389	2.8
91.99986	0.5
92.10867	1.1
93.06973	6.0
94.06497	0.6
95.04876	1.1
95.08528	13.7
95.89282	0.5
96.04403	3.3
97.06415	0.8
98.97527	2.0
99.05496	9.1
100.07511	0.7
101.85712	0.5
103.54826	0.5
104.63560	0.5
105.06929	0.6
107.08495	1.1
108.08080	2.0
108.95801	0.8
109.06425	0.9
109.10088	15.3
110.09624	3.7
111.05519	5.3
111.11671	0.6
112.11127	0.7
116.98564	0.7
119.08575	3.7
125.07045	1.0
126.12751	3.8
132.95807	5.1
136.11188	10.9
137.07066	1.2
137.09579	4.4
137.94585	0.5
139.01813	4.9
149.96078	0.8
150.96844	18.5
151.08627	2.0
151.12302	3.1
152.10684	0.7
153.10225	1.0
154.12277	6.0
157.10098	0.6
167.97134	1.2
168.97815	1.1
169.13330	0.8
177.00688	0.6
179.11746	36.0
191.97119	2.5
197.12808	100.0
209.98123	2.5
211.16948	0.6
215.13860	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	215.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	1.2
54.81343	1.9
55.05448	36.6
56.96498	6.9
57.03365	2.8
57.07024	2.6
59.04903	1.7
67.05422	38.1
69.06982	28.7
70.06527	1.6
71.04908	18.4
72.93697	3.2
73.64528	1.4
74.09599	2.1
74.93079	1.4
79.05406	20.2
81.03319	2.1
81.06969	87.1
83.04898	7.2
83.08530	19.5
85.02844	1.9
85.06453	15.1
90.94744	7.1
91.05402	19.6
92.10330	2.4
93.06966	26.5
95.08526	100.0
97.00739	9.7
97.06470	15.6
97.10109	6.7
99.08022	7.0
105.06968	30.3
107.08519	10.6
108.95789	2.2
109.06474	1.6
109.10062	11.7
111.07993	1.8
119.08532	37.1
121.00715	11.2
121.10081	3.5
123.08024	6.4
126.09136	3.3
129.66554	1.9
132.95793	11.1
133.10103	21.1
135.11665	15.9
137.07118	1.9
137.13255	9.0
139.01791	55.2
144.02390	2.1
149.96187	1.7
149.98517	1.7
150.96864	38.9
152.11995	1.8
161.13225	34.0
162.03334	12.8
167.97075	3.5
168.97981	2.3
179.14235	13.4
191.97144	3.1
191.99611	2.1
197.15343	6.5
198.11211	7.7
209.98128	2.7
216.12238	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	215.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54920	1.4
53.03891	1.9
53.71832	1.3
55.01810	3.3
55.05451	38.4
56.96500	6.7
57.03355	3.6
57.07009	3.2
57.23282	1.4
64.33118	2.1
67.05429	38.4
68.73947	1.5
69.06990	32.3
70.95775	3.0
71.04911	15.8
72.08051	3.0
72.93710	16.8
72.94051	2.0
74.85912	1.5
77.98737	1.7
79.05408	19.5
81.03349	1.8
81.06506	3.4
81.06976	85.0
83.04893	6.7
83.08530	20.4
84.21053	1.4
85.06454	19.8
90.94747	11.9
91.05403	25.5
93.06966	24.5
95.04900	3.6
95.08533	100.0
97.00733	9.6
97.06458	19.4
97.10089	8.9
98.97487	3.4
99.07999	7.1
105.06975	28.1
107.08526	11.3
108.95795	3.9
109.10087	11.6
111.08041	1.9
115.07594	1.7
116.98552	3.8
117.06984	2.1
119.08542	39.4
121.00735	4.0
121.10089	9.2
123.07997	4.0
125.96065	1.6
126.09113	2.7
127.84113	2.0
131.08565	1.7
132.95819	21.3
133.10110	27.8
134.99664	2.4
135.11673	12.8
135.82553	1.7
137.09601	2.2
137.13219	11.3
139.01808	51.4
144.02310	2.9
149.96100	3.0
150.96858	90.9
151.11246	1.8
161.13210	43.5
162.03389	10.6
167.97130	8.7
168.97890	7.2
173.98427	2.4
179.14206	18.4
181.31265	1.7
185.13332	1.6
191.97141	9.1
197.15350	8.1
198.11162	3.1
198.67030	1.6
209.98203	8.3
216.12337	6.7
230.13982	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19796	0.3
53.00240	0.5
55.05451	2.7
56.96492	1.5
57.07009	4.2
60.43933	0.2
67.05423	1.6
69.06981	0.4
70.06506	0.3
70.95793	0.5
71.08548	35.4
72.08066	0.4
72.93710	2.7
74.09587	0.3
78.03170	0.3
79.05396	0.4
81.06963	1.5
82.06508	4.4
83.04900	4.1
84.08067	0.4
85.06060	0.3
85.06470	4.8
86.05992	0.7
88.11201	12.1
88.88753	0.3
90.94747	2.8
91.05390	0.5
93.06998	0.4
95.08537	0.8
97.00769	1.2
97.02821	0.4
100.07550	20.6
108.95817	0.8
110.05979	1.9
111.04387	8.5
114.09133	1.4
116.98638	0.5
121.00719	1.1
128.07040	8.2
128.39645	0.3
129.05394	0.6
132.95808	4.9
134.99588	0.4
139.01804	7.4
149.96143	1.2
150.96866	18.0
152.14291	2.5
156.13814	2.6
162.03369	1.9
167.97139	1.7
168.97887	1.9
169.07460	0.4
170.15366	100.0
172.76051	0.3
173.98546	0.4
180.13814	1.5
191.97205	2.3
198.14859	57.0
199.15186	0.4
203.27760	0.4
209.98198	1.5
215.17424	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	216.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63628	1.6
54.15033	1.6
55.01802	3.8
55.05188	3.6
55.05451	100.0
56.96505	1.8
57.03365	3.8
57.06770	2.3
57.07015	35.8
67.05429	24.1
69.03352	2.1
69.06986	85.1
70.06539	2.0
71.04911	12.8
71.08538	12.5
71.30853	1.5
72.08070	3.7
75.96655	1.7
78.99677	2.5
79.05399	19.0
81.03319	2.0
81.06972	41.2
83.04890	11.9
83.08031	3.1
83.08535	89.7
85.06461	4.5
85.10098	2.4
86.05980	9.4
91.05392	2.4
93.06973	28.7
95.08531	30.6
97.00718	3.5
97.06464	22.3
97.10097	46.9
100.07543	12.9
101.05979	3.2
107.08540	35.1
109.10098	7.9
111.08017	20.2
114.09119	7.5
121.00737	3.3
121.10101	22.6
123.11646	2.7
125.09612	13.9
126.09129	4.6
128.10677	3.0
135.11685	7.3
139.01805	40.0
139.11176	3.8
139.14801	3.1
155.06972	4.2
156.17465	2.7
162.03380	9.3
163.14787	51.1
170.11719	2.2
181.15816	26.6
198.11232	11.9
198.18518	15.6
199.16922	2.6
216.12283	11.4
216.19562	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	217.097
Annotation	Lycoperodine 1
Peak:m/z	Relative Intensity
52.26431	0.2
54.67065	0.2
58.09987	0.2
58.61882	0.2
74.01973	0.3
74.02353	6.7
87.42099	0.2
91.05405	0.3
103.05389	0.3
117.06953	1.4
128.06183	0.2
129.06952	0.2
130.06491	2.1
132.08040	1.3
143.07271	2.5
144.08058	100.0
145.06454	0.3
146.05992	0.8
155.05989	0.4
156.08087	0.3
166.64810	0.2
171.09140	1.8
173.10713	0.3
188.07028	0.3
202.58340	0.2
208.74469	0.2
217.09706	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	218.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45844	0.7
55.05437	1.4
56.96500	16.0
57.03357	0.9
58.82355	0.7
69.03328	3.1
69.06987	48.0
70.02837	0.8
70.06510	1.0
70.92252	0.6
72.08071	1.8
73.02818	3.9
74.02352	5.5
76.07554	1.5
76.35029	0.6
83.08514	0.9
84.08070	6.0
84.95962	0.9
85.02810	1.7
86.09624	57.6
87.00751	9.0
92.10600	1.9
97.00299	0.8
97.02824	3.8
98.02334	0.8
98.97510	80.8
104.03399	39.0
110.97521	0.7
112.03909	3.9
112.07545	14.2
116.03423	10.4
116.98565	100.0
124.52631	0.8
128.98555	3.7
130.08600	3.3
132.10118	1.1
133.02797	1.1
134.99623	73.9
140.00162	1.2
146.99596	3.0
153.00679	16.2
154.08603	10.8
158.01218	6.1
158.99577	1.0
161.01228	1.0
172.09647	60.1
176.02267	3.7
177.00613	7.2
177.05438	0.9
189.05504	0.9
193.04912	5.4
194.05225	0.8
195.00130	0.9
195.01683	7.6
200.09227	0.9
200.12791	0.8
204.10690	0.7
215.03992	1.0
219.90530	0.7
223.99835	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81581	0.6
55.01812	0.9
55.05450	16.5
56.96501	15.2
56.96762	1.2
57.03378	0.8
58.06265	1.0
58.06532	20.9
59.04935	0.7
67.05423	2.6
69.03353	0.9
69.06979	3.2
71.95173	1.2
72.08047	0.8
76.07552	58.7
79.05404	3.9
79.72643	0.5
81.03310	0.5
81.06979	5.5
81.17461	0.5
83.04910	0.6
83.08535	3.0
84.04459	0.6
84.08073	1.1
86.09617	1.2
91.05428	0.8
92.10910	0.8
95.04884	1.2
97.02837	1.1
97.10104	10.6
98.97511	67.3
107.08540	2.5
111.04390	0.6
116.03357	0.7
116.98566	92.6
117.98963	0.8
123.04391	0.7
125.09579	3.8
134.99620	100.0
135.99966	0.7
139.69116	0.6
140.00186	1.4
144.08006	0.9
146.05986	0.8
146.99658	0.8
153.00670	27.3
158.01228	8.4
172.95284	0.8
174.08449	0.6
176.02266	4.0
177.00674	7.4
182.15286	5.5
183.13727	4.5
190.96326	0.8
195.01750	9.4
200.16409	21.2
200.96350	0.6
218.17491	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33343	0.6
50.53797	0.7
53.36354	0.7
57.07011	15.0
58.06546	1.0
62.05990	0.8
65.36726	0.6
66.98963	0.7
70.06508	25.4
71.08550	7.4
76.73855	0.8
88.07552	33.5
102.09089	7.5
106.08606	15.9
116.98547	0.8
156.17424	0.8
168.76149	0.8
174.18497	1.3
184.60175	0.7
200.20059	11.8
218.21111	100.0
219.21506	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0263
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44463	61.3
78.51015	58.1
92.10121	100.0
93.70451	63.4
97.02386	55.8
107.19217	57.1
131.30373	70.3
138.77168	67.2
142.17917	69.2
176.93294	66.4
219.02577	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	219.1015
Annotation	Bitalin A
Peak:m/z	Relative Intensity
52.10335	1.1
55.05416	1.7
56.96510	12.8
57.03339	2.1
60.84342	1.2
63.74928	1.1
67.05404	2.2
69.03352	1.8
75.36220	1.2
76.23342	1.3
81.06966	3.1
83.04926	1.2
91.05407	13.3
92.10905	2.1
93.06969	1.8
93.90714	1.4
95.04896	2.2
95.08569	1.4
98.97527	9.9
99.97864	2.0
103.05380	2.8
105.06960	6.0
107.08543	1.7
114.37610	1.5
115.05414	17.1
116.06182	2.9
116.98565	17.7
117.06975	5.0
119.08531	6.3
121.06527	1.6
121.09956	1.5
128.06192	13.6
129.06958	56.3
130.07741	6.8
131.04913	13.2
131.08531	49.2
133.10089	2.1
134.99609	20.7
135.99948	3.3
137.05939	6.1
141.06973	49.9
142.07744	1.6
143.08559	2.7
144.05652	9.4
145.06474	13.1
145.10094	5.6
146.06046	3.1
146.07219	6.7
148.05104	1.8
153.00633	2.8
154.94154	2.0
157.06468	26.3
158.06067	2.5
158.07253	39.7
159.04413	5.0
159.08026	20.9
159.11589	2.5
160.05101	6.9
161.05949	2.6
161.09561	2.8
161.13206	2.3
163.07452	2.4
169.06425	16.2
170.07253	9.8
172.95239	9.6
173.05894	7.6
173.13174	1.6
174.05214	3.2
174.06731	100.0
175.07491	10.0
175.88832	1.4
186.05196	2.5
186.06694	23.3
188.08269	7.4
189.09070	69.5
190.94978	2.9
190.96281	8.3
191.10632	2.8
201.09076	37.9
201.16356	1.6
219.10104	69.9
219.17331	2.8
225.79250	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1127
Annotation	N-Acetylserotonin
Peak:m/z	Relative Intensity
53.35355	0.3
55.05449	0.3
56.48912	0.3
56.96482	2.0
57.86668	0.2
59.33867	0.2
59.69352	0.3
60.04462	0.3
65.82931	0.3
66.85630	0.3
67.05421	0.4
69.03358	0.3
69.06961	0.3
70.06493	1.5
79.05392	0.4
81.06951	0.5
81.30213	0.3
84.53338	0.3
86.09605	0.5
88.03909	4.2
91.05388	1.5
92.10899	0.5
95.04865	0.4
95.08526	0.4
98.97527	4.0
103.05370	0.5
105.06965	0.7
107.08521	0.4
115.05392	3.6
116.98567	5.7
117.05701	4.7
117.98901	0.7
118.06503	1.3
119.08483	0.3
120.08034	1.8
123.11636	0.4
129.06946	1.4
130.06503	4.5
131.08505	0.7
132.08046	25.8
134.99615	4.6
135.99983	0.3
142.06493	6.7
143.07277	9.6
144.04431	3.0
144.05421	0.4
145.05214	8.0
145.06369	0.5
145.10095	0.5
146.06041	0.7
153.00633	0.4
157.06494	0.5
158.09610	0.8
159.09138	14.9
159.11693	0.3
160.07535	100.0
161.07909	0.4
170.05960	9.7
172.95250	0.5
174.06715	0.7
189.09019	0.8
202.08589	32.9
219.11472	0.9
219.17342	0.4
224.25893	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	3.2
55.01801	11.5
55.05437	10.3
56.96489	2.0
57.03378	31.3
58.41783	2.3
59.04919	9.0
60.55701	1.9
61.02851	26.4
66.19540	2.2
67.05437	20.1
69.03348	63.4
69.06993	15.5
71.01266	3.9
73.02829	3.5
74.11163	2.0
75.04388	3.9
79.05409	36.9
79.93732	1.9
81.03370	2.7
81.06973	100.0
82.53956	2.1
83.04890	9.1
83.08515	4.6
85.02826	44.8
85.06467	24.4
86.09644	3.5
87.04395	25.6
91.03869	9.2
91.05403	51.8
93.06973	71.7
93.07504	2.6
95.04887	15.9
95.08519	19.6
96.33591	2.2
97.02819	25.4
97.06472	31.2
98.97511	9.5
99.08009	4.3
105.06963	30.7
107.04940	5.1
107.08535	35.3
109.06458	22.4
109.10055	3.5
111.07438	2.5
111.08040	41.0
115.03892	17.8
115.05363	4.0
116.98561	11.7
117.06971	32.8
119.08538	47.0
123.08039	19.3
125.09570	11.4
129.06926	4.5
129.08922	2.4
133.04935	14.1
134.99556	3.1
135.08017	25.7
137.09583	11.1
141.09079	16.9
147.08026	29.2
153.09068	23.8
165.09062	29.8
171.10071	3.7
183.10100	12.8
189.11235	3.3
201.11224	8.5
219.12137	2.7
220.83881	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1337
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
51.29351	0.6
60.04456	100.0
60.89832	0.6
86.09625	72.4
87.05517	3.0
92.10490	1.7
98.97509	0.7
128.10645	1.3
132.10161	31.0
173.12811	14.3
182.49023	0.9
201.12383	1.3
219.13327	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	219.1337
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
51.29351	0.6
60.04456	100.0
60.89832	0.6
86.09625	72.4
87.05517	3.0
92.10490	1.7
98.97509	0.7
128.10645	1.3
132.10161	31.0
173.12811	14.3
182.49023	0.9
201.12383	1.3
219.13327	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	220.1177
Annotation	D-pantothenic acid
Peak:m/z	Relative Intensity
55.05437	1.6
57.07001	10.2
59.04934	10.2
61.14291	1.0
65.16418	1.1
67.05425	10.6
67.17944	1.0
69.06969	6.9
70.02877	11.8
70.03207	1.8
72.04420	21.6
72.77113	1.3
73.02808	2.0
73.85811	1.1
74.02348	2.7
83.04900	1.3
85.06458	16.3
86.09637	1.5
87.08010	1.4
90.05473	100.0
92.63658	1.5
95.04894	10.2
96.08043	1.8
98.02336	19.6
100.03887	2.5
103.07496	7.1
113.05946	2.6
116.03400	11.7
120.97786	1.4
124.07531	27.1
125.86646	1.4
142.08569	10.7
149.24684	1.3
160.09596	1.7
167.12425	1.5
184.09616	16.3
202.10683	20.3
220.11732	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	220.118
Annotation	D-pantothenic acid
Peak:m/z	Relative Intensity
52.95391	1.0
54.81527	1.3
55.05448	0.9
57.07008	12.5
59.04928	7.6
60.65988	1.1
67.05431	10.2
69.06980	6.9
70.02870	14.8
72.04423	20.4
73.02826	7.0
74.02337	2.0
85.06472	17.0
86.09563	1.3
87.08022	1.1
90.05480	100.0
92.46526	1.1
95.04910	11.1
96.08041	2.9
98.02358	19.2
103.07523	6.3
113.05968	6.0
116.03391	13.5
124.07558	28.6
131.06938	1.9
142.08627	9.1
153.03789	1.1
160.09673	1.4
184.09628	15.9
202.10681	21.9
220.09753	1.9
220.11760	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	221.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59192	62.8
50.74195	73.8
89.62770	87.4
104.90057	100.0
209.64612	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	221.0919
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
61.17080	0.6
64.11894	0.6
68.06500	0.6
74.68170	0.6
74.92045	0.5
75.49002	0.6
82.02856	2.5
90.05458	0.8
91.05884	0.8
94.06472	3.2
98.02382	0.7
98.97516	1.1
116.98467	0.7
120.08075	0.8
130.06485	100.0
132.04410	51.6
132.05437	1.0
134.05989	2.4
146.06000	0.7
148.07516	2.8
149.78552	0.6
157.07571	57.8
158.05968	73.9
162.05476	2.8
175.08612	35.5
176.07079	1.1
185.07126	1.1
203.08119	21.4
204.06564	3.1
221.09187	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	222.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
67.79303	6.7
71.07289	9.2
73.54848	7.8
86.09628	100.0
88.44759	7.3
92.10664	9.5
94.74679	9.3
98.05983	12.5
162.95578	56.8
222.02911	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01801	0.5
55.05446	0.9
56.96500	17.1
57.03363	0.7
66.69077	0.3
66.71799	0.3
69.03342	2.5
69.70521	0.4
70.06491	1.9
72.08070	3.4
73.02828	0.8
75.48549	0.4
75.54609	0.4
81.03331	1.9
81.06960	1.0
83.22980	0.4
84.08073	3.0
84.95961	0.5
84.97423	0.4
85.02805	0.6
86.09628	4.3
91.05412	0.6
93.06983	0.7
95.04903	0.6
95.08509	0.6
97.02804	3.3
97.96771	0.4
98.97510	52.1
102.96783	0.8
105.06976	0.5
107.04929	0.6
109.02821	0.5
110.07111	3.1
116.98565	81.4
119.01796	0.4
120.08061	13.2
120.97839	2.2
123.08014	2.7
128.01416	0.4
128.98528	0.6
129.10165	1.8
130.06488	69.7
132.04414	14.3
133.02802	1.7
134.99620	100.0
138.98907	2.7
140.00156	2.6
146.99609	3.0
148.06375	0.7
148.07541	17.4
149.01210	0.6
151.07495	3.5
152.96439	0.4
153.00674	31.0
156.99991	0.6
158.01215	19.0
158.05975	20.7
158.99553	0.7
159.06306	0.7
169.08675	0.6
175.11528	0.4
176.02269	7.6
176.07019	30.2
177.00574	0.6
178.02640	0.6
183.06430	2.4
193.04933	0.8
193.53032	0.6
198.28865	0.4
201.04178	0.4
204.06332	0.5
222.07555	3.8
223.05943	0.4
237.02875	0.5
241.00305	0.5
243.01450	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0599
Annotation	K 251-1
Peak:m/z	Relative Intensity
50.47150	0.5
51.20335	0.6
55.05442	0.9
56.96243	0.6
56.96499	11.4
63.76957	0.5
64.14276	0.5
69.03343	1.2
69.11929	0.5
70.06503	0.6
71.32064	0.5
71.95171	0.8
78.04623	6.4
79.05383	1.1
81.03339	1.4
81.06950	1.2
84.75552	0.5
84.95924	0.8
85.02825	2.9
91.05381	1.4
92.10242	1.1
93.06960	1.3
95.04859	0.7
95.08500	0.8
97.02866	1.1
98.97510	21.7
99.04400	0.8
99.97849	4.9
104.56821	0.6
105.03297	1.2
105.06940	0.7
106.04135	5.0
107.04877	7.9
107.08490	1.0
109.02836	0.9
116.97746	1.2
116.98566	28.0
117.98902	8.0
120.08067	0.8
121.06448	0.8
123.04366	0.8
133.02817	1.3
134.03606	9.6
134.99619	38.7
135.04372	16.2
135.07971	0.8
135.11696	0.7
135.99960	10.3
144.25975	0.7
149.02283	3.1
150.03087	1.1
153.00685	12.7
154.01001	3.3
158.01279	4.3
158.99605	2.6
159.01555	2.4
161.02336	1.2
162.03084	45.4
163.03864	12.8
164.04677	0.6
167.07059	0.8
168.85640	0.7
176.02264	0.8
177.00633	10.0
178.02518	0.8
179.03368	13.1
180.04135	2.8
190.02559	46.8
193.01331	4.5
194.02103	6.2
195.00131	0.6
195.01805	2.8
195.06496	2.9
207.02849	24.9
208.03633	31.0
223.05965	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0601
Annotation	K 251-1
Peak:m/z	Relative Intensity
52.04522	0.2
52.29016	0.2
53.03884	0.8
56.76946	0.2
56.96503	0.2
65.03873	0.2
78.04620	5.0
79.05404	3.6
80.26720	0.2
81.03339	0.4
89.03832	1.2
90.04551	0.2
91.05387	1.2
92.02529	0.2
92.40266	0.2
93.03320	0.3
94.70152	0.2
95.04898	1.6
98.87383	0.2
98.97506	1.4
105.03333	2.0
105.04457	0.2
106.04109	4.9
107.04897	30.8
116.02534	0.2
116.98562	1.0
117.03329	0.9
118.04104	0.5
119.04895	0.3
119.32296	0.2
120.02032	0.3
122.03593	0.3
123.04388	0.5
124.05080	0.3
133.02814	1.8
134.03586	9.8
134.99609	0.4
135.04378	10.3
137.02325	0.4
137.06004	0.2
144.02049	0.3
145.02866	0.3
145.03941	1.4
149.02309	1.1
150.03055	0.8
151.03807	0.3
152.04657	1.0
161.02319	1.5
162.03081	45.7
163.03860	14.7
164.04553	0.2
165.01768	1.3
167.06963	2.1
177.01764	0.5
178.02545	2.6
179.03339	11.5
179.06946	0.5
180.04117	3.8
190.02565	43.4
191.03227	1.3
193.01277	5.0
194.02055	4.3
195.06465	1.3
205.01196	0.4
207.02847	20.4
208.03632	23.9
210.36143	0.2
223.05969	100.0
224.06323	1.0
239.93771	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96506	14.9
57.07018	10.2
60.95812	1.4
65.03866	2.1
69.86046	0.9
71.24824	1.2
78.16815	1.0
79.58123	1.1
81.03333	1.1
90.78996	0.9
98.96892	1.8
98.97512	37.3
99.97854	9.0
116.98570	56.5
117.98899	13.7
118.98164	1.1
121.02793	11.1
134.99629	69.9
135.99969	22.3
140.00116	1.3
149.02315	100.0
153.00687	23.7
154.01021	5.6
158.01212	8.7
159.01639	7.5
167.03381	2.0
176.02315	4.5
177.00682	2.5
177.02594	1.6
178.08490	1.2
180.34760	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1076
Annotation	Gly Phe
Peak:m/z	Relative Intensity
56.96492	0.6
57.03368	0.3
66.19387	0.2
66.52253	0.2
69.03345	0.4
72.08067	0.4
81.03320	0.6
84.08060	1.0
85.02816	1.5
86.09608	0.4
93.06972	1.2
98.97485	0.3
101.76129	0.3
103.05404	4.2
107.04896	1.7
109.02825	0.4
116.98567	0.6
120.08053	100.0
121.08397	0.5
129.10210	0.5
131.04903	1.6
134.99652	0.4
144.75037	0.3
149.05957	1.1
163.82005	0.2
166.08591	16.3
166.12138	0.3
177.00555	0.5
177.10179	4.6
181.02890	0.3
185.22244	0.3
209.92175	0.3
223.10753	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96503	51.0
57.03371	2.0
59.04912	1.9
69.03353	3.2
70.06502	2.1
70.77817	1.4
73.02837	2.5
73.96819	1.8
74.21688	1.4
74.97503	1.8
79.05429	2.0
81.03326	1.6
83.90784	1.4
84.08070	3.8
85.02839	1.6
91.05396	2.7
97.02805	2.8
98.97476	2.8
103.05407	3.2
105.06981	17.2
106.40356	1.8
115.05388	7.3
117.05718	21.6
117.06951	2.8
118.06526	15.0
118.53302	14.2
119.01879	9.9
120.08068	7.4
121.08389	2.1
126.53123	2.0
127.53851	19.8
128.06178	2.3
130.06483	17.1
132.08052	100.0
133.08440	6.7
135.53706	2.1
137.02936	4.0
140.52858	16.2
142.03470	2.1
143.07289	30.9
144.08075	26.7
146.06017	14.5
149.53334	3.6
158.99644	2.2
160.11180	28.7
164.07072	2.2
170.06015	11.6
174.02209	2.2
178.12216	20.7
179.04037	2.1
181.06451	8.8
188.07057	7.8
189.07343	2.7
192.03297	16.9
201.00710	9.2
203.05920	2.4
210.04405	3.7
215.04935	2.9
216.03258	3.7
218.04723	12.3
219.01694	4.0
222.04318	1.9
224.09079	4.1
224.12781	7.5
233.05856	5.7
234.04387	3.8
235.07492	2.9
236.05864	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	225.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16135	0.2
62.44310	0.2
82.99706	0.3
86.72148	0.2
90.26142	0.2
92.09181	0.2
101.00810	10.4
114.76749	0.2
119.01874	100.0
120.01982	1.1
121.02303	0.5
121.39018	0.3
124.02380	0.9
137.02930	51.4
138.03114	0.3
139.03355	0.3
142.03476	27.5
160.04523	14.4
161.02913	9.0
161.04309	0.2
165.05104	0.9
179.03970	23.1
180.04288	0.2
184.04543	1.7
202.05606	2.7
207.28780	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04613	0.6
51.58768	0.7
55.01796	1.0
55.05445	6.0
56.96497	22.3
57.07011	17.2
67.05413	5.2
69.03343	1.4
69.06989	7.0
70.17533	0.8
71.08537	4.0
71.95161	4.1
73.30437	0.7
79.05387	3.5
81.06963	11.1
83.04879	2.0
83.08533	1.7
85.06452	1.5
91.05384	4.0
93.06950	3.8
95.08532	5.2
97.06439	1.9
98.97467	1.0
101.00809	1.1
101.94960	54.3
102.96811	1.7
105.06942	1.8
107.08503	1.3
109.06444	6.6
109.10089	1.7
109.24168	0.8
119.01869	46.7
119.08559	1.0
119.96015	35.0
119.98207	1.3
120.97858	7.1
121.10062	3.8
123.08006	3.7
135.66808	0.8
137.02930	40.2
137.09596	1.2
137.97070	42.5
137.99232	1.7
138.98912	9.6
142.03467	18.2
142.97627	1.5
143.03598	0.8
146.99632	1.3
149.09540	1.6
151.07578	1.2
155.98125	27.0
156.00182	0.9
156.99974	2.0
158.05939	1.0
160.04518	11.3
160.98656	12.3
161.02875	3.9
163.06937	3.1
168.07755	0.8
175.03957	1.0
175.08783	1.1
177.09035	3.8
178.99709	11.7
179.04002	11.8
179.05528	1.6
184.09288	1.1
189.04468	1.4
193.09821	3.1
195.10158	4.7
202.10258	1.6
210.12457	10.1
212.12961	0.8
225.14803	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	17.2
56.47253	1.4
56.96498	69.3
57.03366	15.2
57.07007	16.2
59.27240	1.4
67.05419	14.5
69.06974	17.7
71.04874	2.0
71.08533	10.9
71.95158	6.8
74.97492	2.6
77.28107	1.4
79.05394	12.3
80.06171	1.5
81.06963	26.7
82.87891	2.1
83.04882	3.1
83.08533	2.1
84.01441	1.8
84.95950	1.6
85.02822	8.8
91.05394	4.3
93.06958	11.1
95.08511	12.8
97.02252	6.7
97.06465	2.3
98.97487	9.3
99.75397	1.6
101.00796	6.8
101.94962	91.0
102.96812	7.4
103.02250	2.4
105.06948	7.5
107.08522	3.6
109.02236	2.0
109.06450	1.6
109.10109	2.3
116.03047	2.7
116.98552	4.3
117.06960	2.3
118.67941	1.9
119.01867	100.0
119.08509	4.0
119.96017	61.4
120.01979	2.3
120.97849	13.2
121.04162	2.0
121.10111	4.0
127.03913	2.5
133.09967	1.7
134.99622	7.4
135.05623	2.8
135.11630	4.1
137.02930	98.6
137.05345	2.5
137.96007	2.4
137.97079	71.4
137.99232	3.3
138.98891	19.4
142.03494	32.7
142.97632	2.8
155.03665	2.0
155.98117	50.3
156.99950	7.4
158.06000	1.7
159.03278	2.4
160.04506	26.9
160.98621	16.6
161.01286	2.3
161.02950	9.2
161.04594	2.6
163.02673	2.6
167.06476	3.2
173.04842	3.3
175.08810	2.0
178.99695	20.0
179.02460	2.8
179.03960	26.4
184.09319	3.5
185.04900	2.4
187.06354	2.9
189.04202	1.8
193.03847	2.6
193.09834	2.8
199.06308	3.2
201.04260	1.8
202.05704	2.1
202.10358	8.7
202.93106	1.9
203.05890	4.2
213.04373	2.5
213.07863	3.9
217.07452	9.5
231.08994	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	225.1482
Annotation	MKN-003A
Peak:m/z	Relative Intensity
53.75479	0.5
55.05451	6.8
57.07008	3.9
65.03834	0.7
67.05427	32.1
69.03339	2.5
69.06977	1.2
71.04906	0.9
76.56020	0.5
77.76430	0.5
79.05395	3.0
79.58472	0.5
81.06973	5.8
83.04889	1.1
85.06459	5.6
91.05397	4.3
93.06968	10.3
95.04889	3.6
95.08530	100.0
97.06477	0.9
105.06975	9.2
107.08530	7.9
109.06466	2.6
109.10114	2.4
113.05943	2.8
117.06927	0.6
119.01864	2.2
119.08527	13.5
121.06440	1.0
121.10100	5.7
123.08021	20.9
123.11643	3.7
131.08511	1.1
133.10066	2.2
135.11659	6.3
137.09637	0.8
141.09073	0.7
143.01889	0.6
147.08041	1.1
147.11652	3.5
149.09581	11.6
151.07503	0.6
151.14795	0.8
156.09273	0.7
161.01694	0.6
161.02882	3.0
161.13231	3.4
165.05635	0.5
165.12663	2.5
167.32790	0.5
189.12717	2.6
207.13762	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	225.1484
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
55.01794	1.0
55.05452	5.1
56.96491	1.2
57.03363	2.8
57.07008	7.7
59.04933	0.8
59.41296	0.6
65.36234	0.7
67.05422	9.1
69.03345	5.1
69.06963	2.7
71.04900	1.4
71.08533	3.8
79.05415	6.1
81.03327	3.3
81.06963	8.6
81.52509	0.6
83.04897	28.2
83.08534	0.8
84.29783	0.5
85.02806	1.4
85.06451	4.0
85.10088	2.5
88.03923	0.8
91.05402	5.4
93.06962	6.2
95.04899	6.1
95.08538	13.3
97.02800	1.6
97.06443	3.0
99.04389	0.8
99.08008	7.4
101.00792	1.1
101.94961	4.5
105.06978	10.5
107.04882	3.0
107.08524	11.1
109.06460	28.2
109.10104	1.5
111.04383	13.6
115.03856	0.9
116.98555	1.1
119.01875	31.0
119.04887	1.0
119.08538	8.0
119.96014	3.0
120.97851	0.8
121.06451	5.0
121.10099	10.2
123.04433	0.9
123.08010	100.0
123.11646	1.1
125.05987	0.9
125.09570	4.9
127.03840	1.0
127.07521	1.4
129.05418	0.6
133.06387	1.1
133.10146	2.4
135.11650	2.5
137.02927	22.9
137.03891	1.3
137.05966	0.8
137.09581	3.0
137.97079	3.5
138.98880	2.9
139.10999	0.6
141.09059	0.9
142.03474	10.8
143.01846	1.4
145.10095	1.2
147.04375	0.8
147.08041	0.9
147.11653	1.6
149.09567	8.8
151.07552	2.8
151.11147	2.8
155.98053	0.9
160.04550	5.4
161.02913	5.0
161.13242	1.6
163.11121	2.6
165.09096	0.8
165.12671	1.4
167.06955	0.7
167.10609	6.2
174.10240	0.8
177.46826	0.7
178.99648	0.8
179.03958	9.2
186.11018	0.9
189.12718	2.5
202.05595	1.1
207.06459	1.0
207.13731	4.8
214.09175	0.7
225.14734	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.01804	2.2
55.05446	6.3
56.96494	3.3
57.03366	3.8
57.07005	21.3
61.02859	1.6
63.60676	1.7
67.05418	7.3
69.03328	9.9
69.06989	2.9
71.04890	7.7
71.08535	3.6
73.02818	1.9
79.05402	22.1
81.03333	1.9
81.06982	15.4
83.04897	2.7
85.02798	2.3
85.10088	2.4
91.05402	28.2
93.06962	26.0
93.77203	2.4
95.04871	10.0
95.08524	12.5
98.97488	3.3
101.00757	6.1
101.94957	21.5
102.96768	3.3
105.06967	29.5
107.08533	100.0
109.06449	16.0
109.10085	4.0
113.63808	1.8
117.06993	1.8
119.01873	85.8
119.05999	2.3
119.08534	25.2
119.95989	10.6
120.01925	2.5
120.97875	3.0
121.02576	1.9
121.10092	19.2
123.08014	8.8
127.03826	2.6
133.06482	2.2
133.10074	7.1
135.11693	1.8
137.01953	3.4
137.02930	62.4
137.05911	3.5
137.09554	3.3
137.97064	15.3
138.98912	6.8
142.03487	25.8
147.07942	2.7
147.11627	2.5
149.09569	17.3
151.07520	9.5
155.98093	7.1
160.04471	16.8
161.02919	7.1
161.09547	3.5
161.13208	13.8
165.05127	2.3
165.09042	2.4
167.06859	2.1
178.99721	3.2
179.03957	24.1
183.11578	2.0
189.12770	3.3
207.13704	13.6
225.14734	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	226.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	0.3
56.96502	1.5
57.07014	0.4
60.95763	0.3
65.03878	1.8
69.06980	0.3
69.77449	0.2
70.27473	0.2
81.62148	0.2
91.05405	100.0
92.05753	0.4
101.94937	0.3
102.96807	3.8
119.01862	0.5
119.96042	0.3
120.01994	0.5
120.97860	4.1
123.87926	0.2
138.98901	4.4
143.05345	0.3
148.07538	1.8
156.15042	0.3
157.00034	1.5
162.00522	0.5
166.07770	1.1
180.01599	0.3
180.04065	0.3
181.10104	4.2
194.10503	0.4
226.12253	5.1
226.15845	1.2
226.17937	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01807	2.1
55.05447	3.9
56.04961	3.1
56.96496	16.5
57.03382	2.8
57.07008	15.8
60.05564	12.2
63.37748	1.9
67.05409	2.3
69.03337	4.2
69.06989	23.5
70.06501	100.0
71.04870	2.2
71.08530	11.0
72.08053	8.4
79.05405	5.3
80.04912	2.4
81.03325	4.6
84.04411	4.4
84.08085	3.5
85.02807	10.5
85.74917	2.2
86.09139	4.1
86.09621	75.8
87.94408	2.1
91.05402	8.5
93.07006	2.7
95.04878	5.0
97.02800	10.1
98.05971	3.1
98.97490	5.2
99.04410	3.3
104.91866	2.0
107.04898	8.7
108.08053	2.3
110.05981	9.0
112.08668	14.2
115.08630	2.6
116.06988	2.5
116.98535	8.7
119.01854	20.6
120.01939	23.2
120.08029	9.1
121.01628	4.8
123.04395	5.0
127.03822	4.1
128.98553	2.4
134.05965	4.5
134.99611	3.4
136.07556	15.6
137.02846	16.4
138.03006	22.4
142.03465	3.0
142.98531	3.1
143.03601	11.0
146.99658	2.8
147.04440	2.7
148.07539	2.9
159.03267	3.3
161.01154	2.7
161.02921	4.3
161.04636	2.7
162.03146	2.9
165.05417	2.4
167.03430	2.1
171.10847	2.5
175.11903	9.6
179.03976	3.9
180.04105	9.1
181.04944	2.7
203.02269	4.4
208.09608	3.9
226.07007	2.7
226.10553	11.5
231.43312	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	226.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01805	13.1
55.05449	80.5
56.96499	3.1
56.98431	1.9
57.03377	3.2
57.07014	42.5
58.06535	3.2
60.95772	4.2
67.05429	44.1
68.49241	2.4
69.06994	54.8
71.08539	14.2
78.73309	2.1
79.05407	33.0
81.06975	70.7
82.06496	4.0
83.04913	4.4
83.08540	78.7
84.08075	3.6
85.06477	3.3
86.05967	13.4
86.06542	1.9
86.09646	2.4
91.05404	9.8
93.06969	41.6
95.08529	59.1
96.08057	3.6
97.06458	15.7
97.10103	30.7
98.09626	3.5
100.07555	12.3
100.11140	2.4
102.96832	21.1
105.07015	2.6
107.08538	38.9
109.10094	9.9
110.09641	4.6
111.08025	14.1
114.09078	4.8
114.93017	2.8
118.43777	2.5
120.01913	4.1
120.97874	30.3
121.10107	32.2
123.11715	2.8
124.11248	16.6
125.09646	5.4
131.08540	12.2
135.11690	9.1
138.12837	4.6
138.98909	17.1
156.17294	3.0
156.99992	2.7
162.00441	2.8
163.14815	30.5
173.13184	5.0
180.01608	3.3
180.17427	65.7
181.15846	13.8
198.18561	9.4
210.39297	2.7
226.15875	19.7
226.17986	100.0
227.16321	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67430	4.9
55.31112	5.2
63.74020	5.1
65.84645	5.5
92.10549	11.0
96.00526	28.8
116.53934	5.4
138.95039	6.1
146.10603	6.3
146.40639	5.3
181.95068	5.9
182.05821	6.8
210.05310	25.6
227.07855	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05433	0.9
56.96486	0.4
62.42414	0.1
64.96793	0.1
67.05436	0.2
69.03348	0.2
69.06970	0.2
72.33369	0.1
79.05392	0.3
83.04871	0.2
83.08517	0.4
83.61459	0.2
93.06962	0.4
95.04902	0.2
95.08529	0.2
98.97479	0.2
100.11192	2.7
102.96758	0.2
107.08505	0.3
109.06469	0.2
109.10064	0.2
111.04361	0.2
114.09037	0.2
116.63223	0.2
119.01855	0.4
121.00822	0.2
121.01583	1.3
138.98933	0.3
139.02687	1.0
140.04921	6.0
144.03223	0.3
163.01706	0.3
166.39732	0.2
167.05994	39.4
168.06464	0.2
181.02812	0.9
185.07062	100.0
186.07423	0.9
189.42126	0.2
213.06552	16.4
227.08105	24.2
227.17648	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77664	0.2
52.68518	0.2
55.48423	0.2
57.47706	0.2
67.05405	0.2
69.58238	0.2
69.83094	0.2
74.31168	0.2
77.00308	0.2
77.97411	0.2
107.08535	0.5
109.10078	0.4
110.84910	0.2
121.10073	0.3
140.04912	5.8
147.78548	0.3
151.11049	0.3
167.05998	37.9
185.07050	100.0
186.07326	0.5
213.06528	15.5
227.08093	22.7
228.08434	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	0.9
56.96492	0.4
61.94715	0.2
67.05407	0.3
69.03326	0.3
74.70601	0.2
76.16899	0.2
78.04641	0.2
79.05400	0.5
81.06969	0.8
83.08525	0.4
86.09612	0.4
91.05402	1.2
93.06974	1.5
95.04871	0.7
97.06450	0.2
98.97471	0.3
100.11179	1.5
103.05417	0.9
107.04922	0.3
107.08517	0.8
109.06478	0.4
116.98544	0.3
119.01836	0.2
119.14880	0.2
121.01574	0.5
121.06433	1.1
121.10102	0.3
123.04377	0.5
123.08054	0.2
131.08553	0.3
137.05940	0.4
140.04915	5.8
148.31456	0.2
149.05986	0.5
151.11131	0.3
163.01746	0.2
167.05957	38.0
177.05354	0.4
185.07057	100.0
186.07378	0.9
208.08595	0.2
213.06540	19.1
227.08090	24.8
227.17451	0.3
235.39680	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1276
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
50.02969	2.9
50.79553	4.1
53.03877	4.2
54.81539	4.3
55.01801	17.4
55.05220	3.5
55.05452	58.7
56.96492	9.3
57.03362	15.3
57.06998	5.3
65.13084	3.6
67.05416	47.1
69.03339	3.7
69.06989	35.3
71.04893	6.5
73.02823	4.1
79.05020	5.3
79.05414	76.6
81.03322	7.8
81.06976	51.8
83.04887	16.4
83.08537	39.5
91.05385	25.0
93.06966	94.1
95.04884	18.2
95.08521	95.4
97.02827	5.7
97.06416	7.3
97.10110	4.6
98.97539	4.0
99.04383	5.0
100.11187	66.2
105.06953	18.5
107.04893	19.0
107.08500	50.2
109.06456	7.4
109.10020	4.4
117.06946	20.0
117.15670	4.3
119.08514	21.1
120.97857	5.0
121.01616	37.2
121.06457	26.8
121.10086	27.9
134.99597	6.7
135.08084	3.8
135.11624	68.3
137.02869	4.0
138.98863	5.2
139.01714	4.7
139.02686	28.9
139.03699	4.1
144.03229	5.7
145.10078	56.3
163.01762	5.0
163.11145	64.4
167.07062	34.8
181.02887	22.6
181.12189	14.6
185.07051	9.1
189.05000	4.6
194.93565	4.6
227.12704	100.0
227.17470	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	227.1276
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03872	0.9
55.01799	2.4
55.05228	0.5
55.05453	9.4
55.90960	0.4
56.96485	0.8
57.03347	2.3
57.07019	3.7
60.04437	0.7
61.81210	0.4
62.53778	0.4
65.03845	0.8
67.05089	0.5
67.05426	13.0
69.03355	4.9
69.06974	5.2
70.06506	0.6
71.04906	8.6
72.04404	1.7
72.78896	0.4
75.65511	0.4
79.04960	0.6
79.05408	15.7
81.03326	0.7
81.06966	7.4
83.04893	5.0
83.08527	6.0
85.02806	0.5
85.06464	29.6
91.05405	13.1
93.06972	19.0
95.04897	8.2
95.08538	3.6
97.06463	4.4
98.05947	0.7
98.09621	0.9
98.97504	1.0
99.07997	1.0
100.11186	29.9
103.05428	1.8
105.06964	13.9
107.04895	6.3
107.08538	21.7
109.06488	3.6
109.10097	4.0
111.04388	5.7
111.08066	0.6
114.09093	1.7
115.05342	0.6
116.98565	1.7
117.06941	4.3
117.13808	0.7
119.01874	1.7
119.08537	9.8
121.01614	2.2
121.06459	10.3
121.10094	13.7
123.04387	3.7
123.07997	2.5
125.02330	0.5
125.05956	3.6
126.09126	0.9
129.06953	2.9
130.06500	0.6
130.07758	0.7
131.08531	30.9
133.10094	2.0
135.04395	0.6
135.08000	2.9
135.11659	3.3
137.05937	0.9
137.09576	3.2
139.01772	0.6
139.02737	0.9
139.07552	0.6
139.11108	0.7
140.04929	6.9
141.05457	0.6
142.12242	4.5
143.01846	0.6
143.08527	0.6
143.11803	2.7
145.10088	12.4
147.08032	3.1
147.11644	0.7
149.02342	0.6
149.05969	2.2
149.09596	27.6
149.13232	2.2
151.11150	2.4
153.05450	1.1
153.09079	0.6
155.07005	0.6
155.08507	0.9
159.14885	5.3
162.04300	0.5
163.01778	0.6
163.07550	0.9
163.11131	7.7
163.14838	0.6
165.09015	3.4
167.05981	41.2
167.10619	8.4
168.13817	2.8
173.09576	2.9
173.13272	0.7
177.05434	0.8
181.02879	2.4
181.04933	0.7
185.07065	100.0
185.16489	2.8
186.07367	2.3
191.10637	11.8
191.14261	0.9
209.11696	10.8
209.15097	0.6
213.06554	20.8
227.08119	27.4
227.12747	5.0
227.15802	0.5
227.17561	6.0
246.14253	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03876	3.0
55.01800	8.9
55.05453	69.8
57.03368	4.0
57.07009	15.8
57.72046	1.6
58.57246	1.6
59.04919	1.9
65.03856	2.4
67.05428	55.1
67.82700	1.7
69.03351	100.0
69.06991	39.2
71.04903	4.3
72.93631	2.0
74.14835	1.6
79.05404	62.0
81.03333	63.5
81.06969	65.6
83.04899	27.6
83.08540	14.8
85.02813	13.4
85.06458	10.8
91.04890	3.1
91.05402	38.5
93.06972	77.1
95.04893	23.5
95.08530	44.9
97.02863	4.1
97.06458	10.8
97.10113	20.9
105.06969	47.3
107.04887	8.9
107.08539	91.1
109.06472	52.0
109.10100	19.8
111.04392	7.5
111.08039	4.6
115.03882	18.0
115.05377	3.5
117.06951	20.2
119.08521	27.0
121.06417	4.8
121.10100	52.6
123.07980	17.1
123.11649	3.8
125.09580	4.3
129.05420	3.7
131.08533	25.2
133.10091	37.3
135.08005	18.5
135.11629	15.1
137.09529	1.8
139.11157	2.2
143.07024	2.3
143.08527	9.1
145.10075	13.3
147.11638	8.4
149.09566	3.9
149.13240	4.9
151.09950	1.9
151.11153	7.8
153.09088	19.5
158.10861	8.6
161.13193	4.9
163.14746	14.1
167.07005	33.5
173.13214	29.6
175.20096	1.8
179.14305	2.8
191.14284	26.6
204.10164	1.9
209.15291	24.9
227.16335	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1753
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
55.05447	17.8
70.68211	0.3
76.56360	0.4
83.08532	10.4
100.11180	100.0
125.05870	0.4
139.08604	0.5
209.16437	10.8
227.17484	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	228.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	1.4
55.05188	1.7
55.05450	50.7
57.07004	5.3
67.05425	66.2
69.06654	1.4
69.06987	22.2
70.20387	1.2
71.04900	2.9
77.65691	1.2
79.05417	5.9
81.06974	59.2
81.07450	2.2
83.08530	31.6
85.06467	5.5
91.05395	5.5
91.86909	1.2
92.10234	2.5
93.06939	10.0
95.08526	100.0
97.06422	2.6
97.10082	11.8
99.07986	1.3
101.33693	1.3
105.06960	3.1
107.08526	5.3
109.06506	1.4
109.09389	2.6
109.10102	44.2
111.08031	2.5
111.19775	1.3
119.08508	7.0
120.07210	1.1
121.09994	1.8
121.19905	1.4
123.11670	6.7
133.10086	7.1
147.11684	5.4
151.14778	1.4
175.14748	15.7
193.15845	10.7
211.16899	2.4
228.19572	3.0
233.85616	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03872	1.1
55.05452	39.7
56.64281	1.0
56.96503	1.1
57.03372	1.2
57.06995	2.8
67.05074	2.3
67.05424	62.7
69.06979	19.6
71.04909	1.5
79.05404	8.4
80.02962	1.0
81.06969	59.6
83.08535	27.8
84.31790	1.1
85.06492	4.5
91.05402	5.2
93.06953	10.5
95.04869	1.1
95.08528	100.0
97.06454	2.4
97.10084	10.6
105.06969	6.3
107.08539	5.6
109.10097	37.4
111.08002	2.2
119.08524	7.7
121.10048	1.5
123.08006	1.8
123.11650	5.9
126.15124	1.2
129.09123	1.8
133.10106	9.8
135.11646	1.2
135.15546	1.2
137.09618	1.6
147.11626	1.2
149.13205	1.9
151.14781	2.8
155.10643	1.4
175.14804	20.5
193.15811	10.2
211.16902	6.1
222.90187	1.1
228.19556	5.8
228.23123	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	228.2684
Annotation	n-Pentadecylamine
Peak:m/z	Relative Intensity
57.06776	0.6
57.07010	10.1
57.75836	0.5
58.06524	2.7
60.08092	37.7
69.06380	0.4
71.08536	3.8
75.15021	0.4
79.83241	0.5
85.10075	0.8
86.58073	0.4
92.00587	0.5
92.64128	0.5
98.32455	0.5
199.50374	0.5
214.96387	0.4
228.26807	100.0
229.27174	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70135	2.5
52.74943	2.3
53.00241	3.4
55.01799	13.4
55.05438	4.5
55.53819	2.7
56.39216	2.2
57.03374	38.8
58.05759	2.0
60.34362	2.4
61.02842	3.1
65.03855	2.7
67.01777	10.9
69.03346	80.8
69.06977	4.6
70.06197	3.3
70.06512	54.4
71.04922	4.0
73.02827	3.9
75.95707	2.3
78.66238	2.4
79.05394	14.1
81.03341	42.0
81.06931	3.6
83.01235	23.4
83.04898	19.4
85.02831	55.4
86.09631	39.3
91.05383	11.5
92.10531	6.0
95.04850	13.5
97.02232	4.0
97.02818	100.0
97.06482	2.8
98.03586	2.7
99.04368	11.1
101.02283	3.3
107.04866	9.9
109.02773	4.0
109.06454	3.8
111.04379	17.6
115.03867	2.8
116.07047	39.8
123.04340	5.2
125.05975	3.2
127.03831	2.8
135.04395	4.9
139.03795	3.7
149.30809	2.9
163.03864	3.9
163.29805	2.6
165.05461	5.9
193.04938	3.6
211.05934	4.1
229.07005	4.1
229.15358	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	229.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00247	2.1
53.03876	8.3
53.52095	1.5
55.01800	9.2
55.05442	3.5
56.60115	1.3
57.03374	32.9
61.02837	3.7
65.03859	3.8
67.01784	6.4
67.05407	6.6
68.99670	1.6
69.03351	57.4
70.06495	9.9
71.04895	4.1
72.08044	1.9
73.02824	3.2
79.05424	20.4
81.03338	29.8
81.06966	10.6
83.01256	16.9
83.04882	10.5
84.08061	4.3
85.02824	48.0
85.27750	1.5
86.09619	7.4
87.77698	1.6
91.05388	11.5
93.03295	1.9
93.06976	2.0
95.04910	13.9
97.02824	100.0
97.06466	2.1
99.04367	7.3
101.02317	2.3
106.79823	1.7
107.04893	7.3
109.02793	2.1
109.06441	2.3
110.07103	2.6
111.04390	15.1
113.02287	2.7
115.03867	3.9
116.07007	3.8
119.04862	2.8
123.04368	3.7
125.05959	2.2
127.03846	2.2
130.82335	1.9
131.03384	3.9
135.04405	4.1
137.05939	3.3
139.03848	4.1
143.03304	2.1
153.05403	2.0
156.08054	7.5
163.03865	1.9
165.05418	8.6
167.06984	4.3
168.07939	2.8
181.04890	2.0
182.08350	40.8
183.09142	19.8
193.04997	3.7
211.06145	3.7
211.08617	17.9
229.07071	7.3
229.09683	21.7
229.15305	2.2
229.43781	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	229.1221
Annotation	Dehydrolindestrenolide
Peak:m/z	Relative Intensity
50.52525	7.2
52.57485	10.0
53.03878	12.4
54.81403	10.1
55.05444	20.9
55.88586	8.9
56.96496	77.8
57.03354	10.8
57.07022	13.0
59.79916	8.3
64.31342	11.5
67.05418	52.6
69.03344	49.6
69.06989	17.5
70.07697	9.9
75.02763	8.4
79.05416	12.5
79.44617	8.3
79.79916	9.3
81.06979	72.9
84.95969	11.9
91.05397	55.5
93.06977	25.9
93.65969	11.1
95.04877	16.6
95.08536	51.1
98.97517	25.4
101.24089	9.1
102.79859	9.5
105.06952	23.1
107.08470	12.1
109.02832	14.9
109.10108	19.0
116.98561	37.9
119.08546	20.1
121.06435	15.2
131.08481	25.6
133.10088	39.6
134.99634	42.7
143.08571	25.0
145.10081	17.3
146.91826	21.6
155.08510	17.3
159.11575	17.3
164.92870	22.0
173.09612	53.0
173.13231	48.8
182.93831	21.7
183.11705	11.1
186.10336	17.1
187.11124	100.0
193.04892	12.0
201.12627	73.6
204.02892	10.7
228.23203	17.1
229.10132	14.1
229.12167	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1431
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
53.95435	2.7
55.01802	18.6
55.05453	30.7
56.96499	27.6
57.03368	5.1
57.07006	5.0
60.24458	2.7
67.05421	44.7
69.06979	41.7
71.04897	7.0
71.66392	3.0
73.76955	3.2
79.05408	27.2
81.03338	3.8
81.06971	100.0
82.45052	3.5
83.04897	14.6
83.08534	20.5
83.89340	3.0
85.06484	7.5
91.05402	47.4
93.06959	19.2
95.04896	6.9
95.08527	58.3
97.06454	21.4
105.06963	48.2
107.08530	20.7
109.06458	13.7
109.10107	15.3
116.98544	7.7
119.08542	51.2
121.10110	26.9
123.08006	4.6
123.11658	35.3
129.06984	13.9
131.08548	3.9
132.23642	3.6
133.10098	8.8
134.99576	7.7
146.91853	7.5
147.11667	82.2
149.02339	4.2
151.08551	3.6
151.14774	5.0
157.10107	22.8
164.92876	13.7
165.12688	26.3
175.11148	22.9
185.13402	4.2
193.12224	4.8
212.09076	3.9
229.14272	58.1
229.23567	5.3
248.00356	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	229.1545
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
53.98921	0.4
55.01796	0.8
56.49059	0.4
58.06265	0.7
58.06531	10.8
59.07299	2.9
60.07817	0.7
60.08093	10.9
63.02426	0.4
64.33196	0.5
68.04938	1.9
70.06505	69.9
72.08067	0.6
89.46706	0.4
96.08067	3.4
98.05970	1.0
101.20394	0.5
105.84681	0.5
111.90832	0.4
114.05481	8.3
114.09132	4.0
116.07027	2.2
124.07532	5.8
126.09084	0.9
135.69292	0.5
142.08609	61.5
170.08052	2.8
171.02956	0.5
219.07912	0.5
229.15417	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1797
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
50.38863	0.5
51.31232	0.6
53.00244	1.2
53.03876	1.2
55.01815	5.0
55.05447	31.1
56.96492	3.0
57.03360	4.1
57.07012	12.3
59.04926	5.7
65.03880	1.0
67.05421	59.7
69.03340	9.0
69.06982	43.7
70.06506	1.1
70.66515	0.6
71.04898	16.7
71.08533	0.8
71.64891	0.7
74.02331	0.6
79.05394	14.3
81.03322	1.1
81.06969	62.1
83.04885	14.3
83.08528	13.6
85.02832	3.0
85.06451	11.7
86.09631	1.2
91.05399	16.1
93.06369	1.1
93.06963	36.2
95.04902	8.4
95.08524	100.0
97.02798	1.0
97.06438	8.5
97.10103	4.6
98.97488	1.0
99.04385	1.2
99.08005	2.6
101.09591	1.1
105.06964	21.1
107.08529	46.2
109.06464	14.6
109.10096	72.3
111.08028	11.1
113.05935	1.3
113.09591	1.0
116.98548	2.7
119.01841	0.8
119.08527	47.3
121.01626	1.5
121.10100	10.9
123.08021	17.2
123.11647	43.7
123.81342	0.7
125.09569	7.5
127.11205	0.8
131.08475	1.0
133.10092	19.9
135.11649	37.1
137.09576	21.9
137.10567	1.0
145.10147	0.7
147.11679	5.9
149.13208	11.8
151.11150	4.7
151.14775	7.3
153.12741	1.5
155.10625	1.7
161.02896	1.0
163.02695	1.7
165.16374	1.4
175.14763	31.9
183.51454	0.7
185.02867	1.1
193.15819	29.7
193.17455	1.3
194.12567	0.7
208.10277	1.1
211.16876	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	230.2476
Annotation	Lauramine oxide
Peak:m/z	Relative Intensity
54.82180	1.1
57.06732	1.4
57.07011	37.0
58.06522	2.4
61.70756	0.8
62.05772	0.8
62.06017	14.2
63.58371	0.8
66.72832	0.9
71.08543	15.5
74.27950	0.8
75.84325	0.8
80.13894	0.9
85.10073	4.1
90.57313	0.9
99.40417	1.1
212.23703	8.9
230.24730	100.0
231.25044	1.4
231.35742	1.0
236.90871	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.2476
Annotation	Lauramine oxide
Peak:m/z	Relative Intensity
50.13280	1.6
52.16391	1.7
53.68262	1.8
54.81924	2.5
55.05442	2.1
56.96494	11.3
57.07015	36.8
58.06535	2.7
62.06024	17.5
67.05426	2.1
71.08538	19.8
81.03379	1.7
81.91753	1.7
86.06005	3.1
87.04387	1.9
97.02809	3.4
98.05993	7.8
104.09906	2.0
106.96516	2.9
107.08536	2.4
116.98555	3.1
129.93684	2.1
134.99651	4.4
142.98656	7.4
152.07080	2.0
156.17445	26.2
160.99576	2.2
174.18494	100.0
185.02953	3.3
208.04495	2.5
230.10075	3.9
230.24744	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	230.9898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32027	6.4
62.61956	8.2
70.06517	79.0
71.06828	9.9
73.29102	9.7
86.09603	12.6
115.71080	9.4
116.07060	8.7
142.08624	22.1
143.08968	54.2
180.36533	9.4
185.02905	12.2
230.15799	100.0
231.16003	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	0.2
53.25015	0.2
54.15744	0.3
55.05446	2.5
56.04958	1.2
56.96494	0.4
57.03354	0.3
68.04399	0.2
69.01470	0.2
69.07008	0.3
70.06503	0.6
70.24702	0.3
72.08061	12.6
73.73632	0.3
74.02347	11.1
81.19882	0.3
83.57835	0.3
84.08046	1.4
85.02814	0.3
86.09630	4.3
91.05413	0.4
97.02809	0.5
98.97491	1.4
100.28027	0.3
102.05465	1.4
109.08628	0.2
115.05400	0.5
116.98601	0.4
117.05689	1.6
117.06951	1.3
118.06491	5.6
120.08027	0.4
129.10155	0.4
130.06480	21.1
131.08536	1.3
132.08105	0.3
132.10152	0.4
141.06923	0.5
142.06474	0.7
142.07719	0.3
143.07271	22.9
144.08055	7.9
146.05977	13.7
146.99615	0.3
154.06476	10.5
155.07259	0.5
156.08052	4.5
157.08844	5.8
158.09608	100.0
160.07527	0.3
167.07259	1.6
168.08035	25.2
169.08778	1.9
170.05907	1.5
170.09645	2.4
172.07516	1.5
185.02997	0.3
185.10683	0.7
186.09007	0.6
187.12271	0.3
188.07013	13.9
196.07561	1.5
214.08578	14.1
231.11218	10.7
231.17107	0.3
240.05489	0.3
248.86957	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01800	0.4
55.05221	0.4
55.05449	7.0
56.04962	1.8
56.96501	10.7
57.03357	0.5
57.53537	0.3
66.65996	0.4
66.82464	0.3
67.05405	0.8
69.03335	1.8
69.06985	4.4
70.06499	1.0
72.08067	51.5
73.02844	0.4
74.02347	11.0
76.28645	0.4
78.06220	0.4
79.05393	0.7
81.03324	0.4
81.06975	0.4
83.04859	0.7
84.08059	1.9
85.02832	1.6
86.09149	0.5
86.09621	10.3
91.05408	3.5
92.10841	0.5
95.04895	0.7
95.08498	0.5
97.02795	0.8
98.97490	3.4
102.05463	0.9
103.05344	0.6
107.08559	0.4
109.06460	0.4
116.98566	3.7
117.05703	1.0
117.06967	0.7
118.06488	6.4
120.08051	1.0
126.09124	0.5
128.02359	0.5
128.98541	0.5
130.06488	22.7
131.08530	1.0
132.08038	1.9
132.10159	3.5
134.99625	1.9
141.06964	0.9
141.53586	0.4
142.06491	0.5
143.07277	23.9
143.08336	0.8
144.08047	8.2
146.05980	15.4
146.99629	0.8
147.05592	0.5
148.55043	0.5
149.01231	0.6
154.06490	10.2
155.07227	0.5
156.08087	5.4
157.08829	6.0
158.09616	100.0
158.99619	0.6
159.09982	0.7
161.01178	0.6
164.05933	0.5
167.02187	0.5
167.07291	0.9
168.08034	26.2
169.08844	2.0
170.06041	0.6
170.09579	1.6
172.07530	2.4
177.00645	1.6
185.02916	1.7
185.10712	0.9
186.09160	0.9
186.53403	0.5
188.07022	13.2
189.00658	0.5
193.60657	0.5
196.07532	2.2
201.00594	0.8
203.03981	0.6
214.08601	10.6
231.11261	10.5
231.16980	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16773	0.7
53.00240	1.0
53.03866	0.9
55.01798	2.1
55.05449	14.9
55.42891	0.8
56.04958	1.4
56.96497	7.3
56.96721	0.8
57.03378	7.9
57.05735	1.0
60.04466	1.0
61.02847	3.9
62.39821	0.8
64.97005	0.9
67.05428	3.3
69.03344	16.8
69.06985	24.5
70.06497	5.4
71.04894	3.9
71.06986	0.8
71.79821	0.8
72.08065	100.0
73.02818	3.7
79.05403	1.9
79.70033	1.0
81.03341	7.5
81.06963	4.0
83.04921	1.6
84.04415	1.8
84.08060	11.9
85.02830	19.6
86.09621	21.2
86.34790	1.0
87.08019	6.4
87.65719	0.8
91.05400	3.5
93.06972	4.9
95.04893	1.7
95.08537	4.4
97.02841	9.4
97.06399	0.9
98.97487	7.9
99.04369	3.9
99.08013	1.0
100.03876	1.1
103.05397	1.0
105.06966	1.0
107.08507	0.9
109.02827	1.6
109.10154	1.6
110.07131	1.7
111.08016	4.3
116.98582	6.3
118.06461	1.1
120.08054	1.4
126.09097	1.6
127.03872	6.0
128.23372	0.8
128.98572	1.7
129.06947	1.4
129.10187	1.6
130.06490	4.7
131.08511	1.7
132.08009	1.5
132.10155	1.1
134.99612	4.7
135.00536	1.0
137.02882	1.1
141.06927	1.1
144.08105	1.3
145.04932	1.3
146.99635	3.4
149.09554	1.1
152.90329	0.8
156.08049	4.9
158.09587	1.3
167.07198	1.9
168.08057	11.9
169.07567	1.3
170.09599	1.1
177.00645	2.0
183.09102	1.5
184.07576	1.5
185.02853	3.3
185.07008	1.8
186.09077	3.5
189.00677	3.2
195.01634	1.0
195.09009	1.7
199.08618	1.7
206.39148	0.9
208.04475	1.5
213.10205	1.5
219.01704	1.4
231.11163	5.7
231.17097	3.6
232.17009	0.9
246.55951	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1702
Annotation	Leu Val
Peak:m/z	Relative Intensity
50.34187	0.4
51.40628	0.4
54.81740	0.4
55.05233	0.4
55.05455	4.8
56.04944	0.5
56.06862	0.3
64.33526	0.5
66.64848	0.4
69.06990	0.6
72.08072	36.8
84.08080	2.3
86.09631	100.0
87.10023	0.4
87.23222	0.4
90.05508	0.5
118.08590	1.8
129.10222	0.9
165.57181	0.5
185.16542	1.7
201.96373	0.4
201.98787	0.4
231.16998	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	231.1702
Annotation	Val Leu
Peak:m/z	Relative Intensity
50.13423	0.4
53.03877	0.6
54.81583	0.4
55.05449	12.2
56.96506	1.8
57.05768	0.4
66.64069	0.4
69.03339	0.6
72.08064	100.0
76.63838	0.4
77.20117	0.4
84.08095	0.4
85.02817	0.5
86.09623	37.8
90.05496	0.5
91.51854	0.4
97.02866	0.5
98.97521	2.2
116.98560	0.8
118.08647	0.6
128.98534	0.5
132.10156	3.8
146.99614	0.5
185.16525	0.9
186.09053	0.5
231.16951	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	231.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21495	0.8
53.00247	1.1
53.03881	1.5
53.48526	0.7
55.05451	29.2
56.96495	1.5
57.03372	2.1
57.07014	11.1
59.04924	0.8
63.62200	1.0
67.05423	23.6
67.12759	1.0
69.03334	1.5
69.06982	33.3
71.04901	4.5
72.08061	11.9
79.05403	26.3
81.06973	62.7
83.04885	1.6
83.08536	24.0
84.77329	0.9
85.06474	14.8
86.09626	4.6
91.05372	7.3
92.10907	2.0
93.06973	51.5
95.04893	2.2
95.08527	100.0
97.06489	1.7
97.10098	14.3
98.97514	1.8
99.08020	5.8
104.47884	1.2
105.06964	6.2
107.08535	75.1
109.06458	1.6
109.10104	44.9
111.08028	4.4
111.11669	2.0
113.09542	1.0
119.08542	1.8
120.04548	1.0
121.10093	82.6
123.11638	11.9
135.11650	19.0
137.13271	9.1
139.11153	4.5
143.01242	1.0
144.49988	0.9
149.13248	5.2
151.14813	1.2
156.34967	1.0
165.16345	7.7
168.85765	1.0
169.34753	1.0
177.16350	78.1
183.17354	4.2
189.51010	1.0
195.17386	25.1
213.18518	2.4
231.19644	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03870	1.0
55.01813	3.0
55.05452	24.6
56.02076	0.7
56.21199	0.7
56.96501	1.4
57.03357	4.0
57.06787	0.7
57.07017	14.7
59.04928	1.4
67.05428	26.6
69.03335	2.0
69.06987	35.6
71.04894	5.4
71.08530	1.6
72.08060	0.9
79.05409	27.4
81.06974	61.1
83.04868	1.1
83.08538	25.9
85.02814	1.7
85.05998	0.9
85.06470	14.1
91.05393	12.6
93.06971	49.9
93.40252	0.8
95.04887	1.9
95.08533	100.0
97.02819	1.2
97.06427	1.5
97.10102	11.0
98.97498	1.9
99.08036	8.0
105.06982	6.4
107.08537	75.8
109.06488	3.1
109.10103	46.8
110.81132	0.8
111.08015	5.0
111.11666	3.9
113.09560	1.1
116.98574	1.2
121.10098	85.4
123.11652	13.2
125.09545	1.9
128.98558	1.4
135.11659	22.7
135.97694	0.8
137.13220	7.9
139.11121	4.8
144.08067	5.6
146.99663	1.4
149.13239	7.8
151.11240	0.8
151.14761	2.0
158.99724	0.9
159.18961	0.8
165.16417	6.7
177.16351	68.9
183.17422	1.9
186.09105	3.8
189.00755	1.2
195.17404	26.4
213.18434	3.5
231.19467	3.1
232.27295	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78414	0.5
53.00223	0.5
54.63355	0.6
55.05452	1.0
56.96503	8.1
57.03371	2.3
57.06763	0.7
57.07011	9.6
58.06542	0.8
61.02837	1.1
69.03341	3.0
70.06142	0.9
70.06512	19.9
71.08548	5.6
73.01706	0.6
73.02825	2.7
79.05394	1.0
84.95963	0.8
85.02812	4.8
85.10100	1.2
86.98949	0.8
87.04388	0.7
88.07550	26.5
91.05408	17.4
92.10907	0.9
97.02808	3.3
98.97511	4.8
102.09120	7.4
103.05379	4.9
106.08622	14.0
107.04892	1.4
109.10122	0.6
116.98587	6.3
119.01717	3.3
127.03941	1.2
128.02257	1.5
128.98558	5.6
130.06493	0.8
134.99617	3.2
143.07266	0.7
146.99646	4.2
149.01202	5.8
158.09604	4.3
158.99608	0.7
161.01257	1.1
167.02267	1.2
170.99660	0.8
177.00673	1.5
179.06583	0.6
184.07581	1.2
186.09081	19.3
188.20047	1.0
189.00670	4.1
191.02222	1.3
209.00084	0.7
209.04951	0.9
214.21626	10.6
232.22668	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53231	2.7
52.90719	3.0
56.04985	24.4
56.96486	14.2
57.03358	4.1
69.03353	4.2
69.65871	2.8
70.06501	4.5
72.08062	17.7
72.68396	2.8
73.02834	4.6
74.05594	5.5
74.05991	100.0
82.17568	3.0
84.04413	14.1
84.08070	12.8
85.02824	12.6
86.05984	3.3
86.09633	41.9
89.52235	3.2
92.64481	2.8
97.02811	6.4
98.97516	6.5
103.90633	3.2
104.07046	6.2
116.98527	4.6
119.01870	7.7
128.98546	5.0
129.72307	2.8
131.01881	3.2
132.10194	13.0
146.99580	4.6
161.02875	12.9
216.06674	3.8
220.90994	3.3
233.15024	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1494
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
52.99389	0.5
54.12373	0.5
56.04720	1.0
56.04972	20.4
57.03361	3.5
58.06531	4.6
72.08078	0.8
72.56809	0.6
74.05986	100.0
75.04371	0.7
76.46688	0.5
82.07310	0.6
82.13306	0.5
84.03941	0.8
84.04419	11.5
85.02838	1.0
86.09624	30.1
90.27674	0.6
96.04397	0.6
96.62984	0.7
98.97539	0.8
101.07073	1.0
104.10679	4.3
116.17029	0.7
120.01853	0.5
130.04912	0.7
132.10156	12.4
136.81277	0.6
144.27260	0.6
155.68433	0.7
163.75116	0.7
169.13274	1.0
170.11641	0.8
182.18369	0.7
182.98380	0.6
187.14394	4.7
215.13850	4.0
216.12318	0.7
233.14917	10.3
237.18578	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1494
Annotation	Thr Leu
Peak:m/z	Relative Intensity
50.56250	0.4
56.04717	1.1
56.04972	20.8
56.73384	0.4
57.03373	4.5
58.06525	3.3
69.06988	1.1
72.08064	2.2
74.05986	100.0
75.04372	0.9
77.73987	0.7
84.04420	9.5
85.02791	0.6
86.09623	31.0
101.07062	1.4
104.10693	2.4
106.93478	0.5
122.89194	0.6
132.10167	12.7
136.64128	0.6
169.13310	0.8
180.96919	0.6
187.14420	4.6
215.13914	3.4
233.14900	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	234.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01471	1.0
53.03887	1.4
54.07809	1.2
54.22005	1.2
54.23091	1.1
54.81628	1.2
55.01802	2.0
55.05449	2.5
56.04980	6.6
56.96497	14.6
57.03370	12.8
57.07005	1.2
58.02912	2.3
58.06521	1.5
59.04934	13.4
60.04451	6.2
61.02860	12.5
68.04951	5.5
69.03352	21.8
69.06981	21.4
70.06512	10.2
71.95169	1.5
72.04438	14.5
72.08081	12.5
73.02827	17.2
74.06002	9.3
81.03325	6.9
84.04433	15.3
84.08070	8.0
84.18691	1.4
84.95978	1.9
85.02334	2.8
85.02831	49.4
85.08906	1.8
86.03209	1.3
86.05991	20.9
86.09628	69.5
86.72536	1.3
87.04390	10.9
87.09969	2.5
88.03909	14.1
88.07558	8.9
95.01226	1.9
96.04416	10.0
96.08096	1.3
97.02822	17.6
98.09644	10.0
98.97511	41.9
99.04391	3.0
100.11184	2.6
102.05495	1.6
103.03868	3.4
104.07030	2.2
109.02824	5.6
110.01221	1.8
110.07134	2.3
110.09696	1.7
110.97529	7.3
111.04394	1.4
114.05497	2.8
116.98578	34.6
119.01814	8.9
121.01698	1.6
127.03886	9.6
128.10674	44.1
128.98563	18.3
130.04980	1.7
131.01888	1.4
132.06465	1.4
132.10185	12.4
134.99629	13.9
140.02231	1.9
140.10754	1.7
142.04988	3.2
143.00156	3.2
144.10147	2.0
145.04942	2.9
146.08090	2.9
146.99634	18.7
149.02814	2.5
152.10678	12.0
158.11754	8.1
158.99623	8.8
161.01259	1.5
161.02971	1.7
165.00624	1.5
170.11691	10.6
170.99654	6.8
174.11240	7.4
175.04533	1.5
177.00681	12.2
187.04478	2.0
188.12785	100.0
189.00655	12.7
191.03868	2.4
192.07745	2.2
198.11234	2.9
201.00722	2.0
207.01721	1.6
217.10712	2.2
219.01712	6.8
234.09738	2.0
234.13342	17.2
234.18083	3.0
237.02734	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	234.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67734	0.6
54.81602	0.7
56.96495	1.7
58.06535	7.1
58.86779	0.6
59.04922	3.8
60.04455	1.2
70.06502	4.2
72.08067	100.0
73.08941	0.8
84.08063	18.3
86.05975	4.9
88.07540	4.2
89.84711	0.7
101.00792	1.4
103.02370	1.7
112.11179	4.1
118.04958	7.7
119.01877	25.7
121.03448	1.8
121.08536	0.9
129.10184	1.3
130.03476	0.9
130.08620	3.4
131.01877	3.9
137.02934	17.4
144.05031	3.4
145.03424	11.1
146.08092	59.8
147.01360	1.7
148.04472	0.7
149.02942	3.3
160.09679	5.3
163.04517	9.4
163.10719	3.3
174.02437	1.4
188.04124	0.9
189.02437	4.3
207.03419	1.5
216.03571	3.5
217.01880	1.5
217.15414	25.3
234.14490	1.2
234.18077	31.8
235.03026	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	234.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	0.8
56.04972	18.7
56.96496	0.7
57.06741	0.7
57.07009	14.8
57.67643	0.3
57.79557	0.4
58.06266	0.6
58.06531	10.4
60.04463	3.3
60.13337	0.3
68.04951	0.8
69.06992	0.5
70.06503	0.3
71.08544	8.3
74.05990	15.8
83.04881	0.4
86.05978	2.1
88.07552	66.5
92.10942	0.7
104.07021	0.8
111.04379	0.9
118.08596	9.9
122.08086	9.2
128.98509	0.5
139.01767	0.9
154.15834	0.6
155.06955	0.9
173.08017	0.4
186.18492	95.7
187.18840	0.5
195.77426	0.5
216.19511	3.8
217.10709	1.7
234.20587	100.0
235.20901	2.2
245.63380	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81953	4.1
57.49662	3.5
61.90115	3.8
144.75850	4.7
149.01096	74.8
156.72105	4.1
162.04201	30.5
172.92670	4.4
176.05817	16.8
177.06580	5.2
189.07652	4.5
201.63226	4.0
223.29951	3.9
232.98499	4.2
236.07870	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0916
Annotation	Cherianoine
Peak:m/z	Relative Intensity
55.05442	0.8
59.73661	0.6
70.43755	0.6
104.04908	3.0
114.37105	0.6
118.06498	1.2
131.18495	0.9
132.04419	19.2
146.05974	5.4
147.06779	10.3
160.03891	11.3
174.05490	8.8
175.06250	100.0
176.03288	0.7
176.06914	1.1
177.04153	3.0
178.04935	3.7
188.03435	1.2
190.04945	2.8
192.06520	19.3
202.04938	3.2
203.05746	54.5
206.04445	14.3
220.06010	3.5
221.06783	23.4
222.04037	1.2
233.46359	0.8
236.09134	89.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1126
Annotation	CHEBI:133389
Peak:m/z	Relative Intensity
50.72256	0.7
53.03882	1.1
55.01799	1.9
55.05436	4.4
56.04964	1.1
56.96495	5.8
57.03361	4.0
57.06995	5.1
58.06530	1.4
59.04929	6.6
60.04453	70.8
60.43437	0.7
61.02843	1.5
64.23888	0.7
67.05422	11.1
68.04921	0.9
69.03354	6.3
69.06980	3.3
70.06512	6.1
71.04888	1.3
72.08064	1.5
73.02829	1.9
73.06457	1.2
74.05984	10.3
75.04356	0.8
81.03320	4.2
83.04890	1.6
84.04408	3.5
84.08053	4.7
85.02818	9.4
85.06462	9.8
86.02350	6.3
86.05981	8.6
86.09592	4.1
87.04376	1.7
87.08006	0.9
88.03918	1.8
89.00672	0.9
95.04890	13.3
96.04412	1.0
97.02808	12.2
98.97495	8.5
99.04389	1.2
99.89312	0.8
103.05372	1.0
103.07539	6.3
106.04966	100.0
110.05975	0.9
110.07108	5.2
111.04350	6.2
112.03909	1.5
113.05930	1.1
116.03410	0.8
116.98575	7.9
117.85048	0.9
120.08019	0.9
123.04390	1.5
126.09070	1.8
127.03858	3.3
129.10222	1.0
132.02873	4.2
134.99619	5.4
140.35233	0.8
141.05415	1.2
143.05661	1.3
144.82349	0.9
146.06004	14.2
146.99648	2.0
147.03194	0.8
152.07051	3.1
154.08524	5.9
155.04625	1.1
158.99655	1.1
164.05113	1.3
172.09624	2.1
176.06987	1.2
177.00679	3.2
190.08659	1.3
190.10597	0.8
200.09146	13.9
202.83824	0.9
218.10187	12.1
236.09035	3.9
236.11171	19.0
236.14835	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	0.9
56.04979	0.7
56.33904	0.7
56.82022	0.7
56.96485	4.8
57.03362	5.7
57.07013	0.7
58.99509	2.1
59.99034	34.2
60.04409	0.9
67.05419	1.5
69.03337	1.4
69.06974	1.9
70.06501	0.9
72.08061	3.7
75.04371	0.9
79.05391	1.2
81.03303	0.9
81.06931	0.9
84.08066	10.4
85.02818	1.7
86.09631	6.6
86.98963	3.7
88.02129	100.0
88.03909	1.7
91.05401	4.2
93.06959	2.2
95.04877	1.7
97.02827	1.3
98.97491	7.4
99.04375	1.1
100.92302	0.9
102.04600	3.5
103.05396	32.5
104.99989	1.6
105.06969	4.9
107.08484	0.9
110.07111	3.7
116.05253	71.3
116.98535	7.4
120.08031	8.7
121.08384	5.4
123.04393	1.1
127.03836	1.3
129.06985	1.1
129.10146	1.1
130.04129	10.7
131.04872	49.8
133.06468	1.9
134.99620	8.3
146.05975	1.1
147.04424	1.9
147.06693	0.8
148.05151	62.3
150.03984	6.9
153.00638	1.3
160.05135	1.0
161.05914	5.3
162.06680	3.8
163.07478	16.9
163.98331	1.3
167.07028	1.2
175.07521	1.5
177.00699	1.1
177.05406	1.6
181.08566	1.3
191.06845	1.0
192.01442	5.4
192.06505	3.8
193.04845	1.2
220.04543	44.8
237.07552	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0865
Annotation	N-Formyl-D-kynurenine
Peak:m/z	Relative Intensity
51.15482	0.4
54.81651	0.5
56.96500	2.6
61.65197	0.5
69.76519	0.5
70.06501	0.8
71.29064	0.6
72.08067	0.6
74.01935	0.8
74.02349	6.8
84.08071	1.1
85.02825	1.3
86.09618	1.1
91.00122	0.5
91.05390	3.0
93.91318	0.6
94.06482	9.7
98.97507	11.7
99.00729	2.8
99.11629	0.6
103.05402	2.5
104.04914	2.9
107.04890	0.7
116.98566	14.1
118.06477	14.3
120.04393	6.3
120.08050	56.6
122.05943	0.7
128.04912	5.6
130.06483	6.8
131.04906	0.8
132.04413	3.8
134.06036	1.0
134.07076	0.5
134.99611	10.8
136.07530	13.5
140.95714	0.6
143.07236	1.2
146.05977	100.0
147.06360	0.6
148.03893	13.9
149.05983	0.7
150.05472	3.7
153.00630	2.3
156.04405	2.4
157.07568	4.4
158.05968	1.0
159.09109	0.9
164.07085	0.9
166.08591	17.1
172.67889	0.6
174.05444	18.8
175.08557	0.6
177.00620	1.2
191.08107	3.8
192.06477	4.9
195.01756	1.1
195.36819	0.6
202.04897	4.8
220.06065	2.8
237.08583	3.9
237.12350	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0867
Annotation	N-Formyl-D-kynurenine
Peak:m/z	Relative Intensity
55.01804	0.2
55.70264	0.2
56.04947	0.3
56.96502	0.3
57.03377	0.2
60.04451	0.4
64.33008	0.2
69.03336	0.3
70.06504	0.8
72.08060	1.6
74.02347	9.6
74.05986	0.2
81.03342	0.3
84.04421	0.4
84.08055	1.3
84.67078	0.2
85.02805	0.8
86.09612	0.9
88.86348	0.2
91.05385	0.9
94.06488	0.4
97.02816	0.4
98.97506	2.2
99.04341	0.2
107.04894	0.2
111.04388	0.2
115.73742	0.2
116.98557	2.4
118.06479	2.2
119.01849	0.2
120.08012	0.3
121.96513	0.2
128.04919	5.1
128.98598	0.3
129.10194	0.3
130.06496	1.0
132.04407	1.2
134.99609	1.5
146.05975	100.0
146.99585	0.2
147.06366	0.9
147.94720	0.2
148.03880	3.2
148.07588	0.3
158.05989	0.9
159.91986	0.2
164.07039	0.3
173.07039	1.0
174.05495	0.4
177.00690	0.3
177.05446	0.2
191.08160	0.9
192.06497	1.0
219.07582	0.9
219.21080	0.2
237.08707	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90162	0.5
53.03886	0.7
54.81974	0.6
55.05448	1.0
56.04975	0.7
56.96501	5.2
57.03381	10.5
57.07007	0.5
64.45762	0.5
69.03355	1.5
69.06978	0.9
70.06507	3.9
72.08069	3.6
73.02837	0.8
74.05995	0.8
79.05421	1.2
81.03357	1.2
84.08074	5.9
85.02830	3.1
86.09631	10.3
91.05395	2.9
93.06982	1.7
95.04897	1.3
97.02827	2.6
98.97517	10.9
99.04372	0.6
102.04620	7.3
103.05411	65.3
105.06995	6.6
110.07145	0.9
115.05404	3.0
116.98567	13.0
117.06934	1.2
120.08064	39.4
121.06493	1.3
122.06783	0.7
128.06232	0.7
129.10190	1.1
130.04129	23.0
130.08617	1.0
131.04904	88.6
131.19675	0.7
133.06474	7.0
134.99634	15.0
137.05995	0.7
145.06482	1.4
146.05952	3.0
147.04465	4.5
147.11240	1.1
148.05177	100.0
153.00693	3.3
160.05165	2.4
161.05934	9.7
162.06752	7.7
163.07516	28.1
172.31815	0.6
172.95192	2.5
175.07509	2.7
177.00697	2.8
190.95241	1.1
191.07025	1.4
192.06520	3.7
195.01701	1.5
201.09135	0.8
204.07771	0.9
219.09921	0.9
237.07219	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	0.8
54.82027	1.0
55.05449	1.6
56.96490	5.2
57.03371	6.3
67.05430	2.9
69.03349	1.2
69.06968	1.6
71.04890	1.1
71.95141	0.8
73.02795	0.9
79.05402	1.2
81.03336	1.0
81.06964	4.5
90.91135	0.7
91.05402	3.1
93.06960	3.7
95.04886	1.5
95.08508	1.8
97.02810	1.3
98.97543	5.4
102.04633	6.8
102.05207	0.8
103.05402	89.7
105.06943	7.4
107.08516	1.9
109.06475	0.8
109.10126	0.9
115.05414	1.3
116.98568	6.8
117.06963	0.9
119.08535	1.7
121.06441	0.8
121.10048	1.2
128.06212	1.5
129.06938	1.5
130.04111	20.1
131.04890	100.0
131.08505	3.3
133.06470	1.4
133.10117	1.1
134.99626	6.8
139.01797	1.2
141.06927	1.0
145.10127	1.8
147.04410	1.0
148.05165	65.6
151.11140	1.2
158.07230	1.0
158.99651	1.2
159.08049	1.0
159.11703	0.9
160.05168	1.4
160.12679	0.8
161.05952	1.9
162.06703	3.5
163.07507	17.2
172.95279	0.8
174.06651	0.9
177.00668	1.7
189.09105	1.0
191.06886	0.7
192.06432	2.9
237.07455	1.0
237.15131	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1231
Annotation	Phe-ala
Peak:m/z	Relative Intensity
50.91692	0.4
56.69530	0.6
56.96504	1.3
59.46423	0.4
69.03353	0.6
70.06506	1.2
72.08068	1.0
73.12859	0.5
74.02345	4.9
79.05415	0.6
83.47002	0.5
84.08057	2.5
85.02835	0.6
86.09626	2.2
91.05405	1.2
92.10717	1.0
93.06960	0.6
94.06490	6.6
98.97513	7.6
99.00750	2.2
102.75833	0.6
103.05421	4.1
103.15724	0.5
104.04903	0.9
107.04919	0.8
116.98565	8.7
118.06491	13.2
120.04422	2.9
120.08051	100.0
120.74861	0.5
128.04907	2.7
129.10237	0.9
130.06490	4.0
131.04909	2.6
132.04431	4.1
134.99593	6.6
136.07552	11.8
142.81488	0.6
146.05983	59.7
146.99640	0.7
147.06360	0.6
148.03888	10.5
149.05968	1.0
150.05507	2.5
156.04433	1.2
157.07593	3.0
158.06007	1.1
164.07048	1.1
166.08595	32.6
174.05469	13.5
177.00613	0.8
191.08150	2.8
191.11757	1.1
192.06538	4.7
195.01843	1.0
202.05002	1.3
203.08258	0.9
219.07701	0.7
220.06006	1.3
237.08627	1.2
237.12286	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	237.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	2.9
54.63712	0.7
55.01806	3.3
55.05455	0.9
57.03372	9.0
57.07007	8.7
61.02855	12.3
62.84511	0.7
64.32890	0.7
69.03349	24.8
69.06992	0.8
69.76713	0.8
70.06516	1.6
71.04908	1.4
72.08042	1.1
73.02820	6.3
76.55703	0.6
81.03329	9.7
84.08081	3.0
85.02826	100.0
86.09626	3.0
87.04372	3.0
91.03870	3.6
92.10212	1.7
94.34015	0.7
97.02815	25.1
98.97515	3.4
99.04375	3.5
103.05431	0.9
107.04885	0.8
109.02802	9.4
115.03844	1.1
116.98574	3.2
119.01910	1.1
120.08040	1.2
127.03868	13.4
131.04913	0.7
134.99629	3.1
143.01849	1.4
145.03445	1.7
145.04945	13.2
146.06056	0.8
148.05196	1.2
155.01935	0.7
161.02893	5.5
163.05893	1.1
176.09448	1.0
177.05075	1.3
185.02887	4.4
203.03984	5.5
204.04245	1.1
204.48346	0.7
215.04002	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01583	2.8
55.01814	51.7
55.05447	3.4
56.04962	2.9
56.96488	9.8
57.03352	3.0
58.98609	1.9
66.86443	1.7
69.03334	2.5
69.59789	1.7
70.06500	13.5
70.95746	1.9
72.08052	12.5
73.02823	100.0
74.05991	2.4
81.03320	1.9
84.04451	1.8
84.08060	27.4
86.09626	22.9
87.03860	4.1
87.04380	65.9
92.10291	2.6
98.97507	4.6
103.05408	8.3
104.05753	2.4
105.05448	20.2
108.63052	1.8
110.07131	2.4
112.07519	2.3
116.98559	3.4
118.06467	4.5
120.08041	9.3
122.00159	1.8
129.10175	3.1
130.06488	3.4
131.04878	3.3
132.05197	3.3
134.99538	2.5
136.07602	2.8
142.69630	1.8
146.05984	3.2
148.05135	10.9
148.07529	2.8
149.05534	3.2
150.96852	4.5
154.94057	2.3
156.99910	1.8
161.04457	10.6
172.95184	9.1
178.08595	1.9
190.96138	7.1
192.06570	7.8
197.01082	2.1
207.04930	7.7
218.99275	1.9
221.06464	4.2
232.13666	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1073
Annotation	Fumariflorine
Peak:m/z	Relative Intensity
54.81917	0.5
55.01815	0.5
55.05457	0.6
55.54955	0.5
56.04958	0.5
56.96495	2.4
57.03393	0.7
59.04922	2.8
60.04432	0.5
65.25930	0.6
69.03350	4.1
70.06523	4.6
72.04438	0.6
72.08054	2.5
72.93723	0.5
79.05422	4.5
81.03324	0.6
84.04410	1.3
84.08073	3.2
85.02831	3.3
86.09615	3.6
87.04384	0.8
88.49014	0.7
91.05392	9.8
92.10341	0.8
97.02808	2.8
98.05990	0.6
98.97504	2.8
103.05403	14.0
105.06281	0.8
105.06974	19.8
107.04920	5.2
112.08720	0.9
115.03849	0.7
116.98544	1.4
117.05697	2.3
117.07012	1.0
118.06486	11.4
119.07280	20.0
120.08054	24.8
121.06514	0.7
121.08431	8.6
127.03896	0.8
128.06107	1.4
129.06955	10.6
129.10176	1.2
130.06477	3.1
131.04897	1.0
131.07266	2.8
132.08051	4.9
134.99635	0.9
136.07599	2.4
144.08078	8.2
145.08759	0.9
146.05994	2.7
146.09628	100.0
147.09959	1.4
147.86522	0.6
148.07378	0.6
150.96812	0.8
156.04364	0.8
156.08037	3.0
162.09085	1.3
164.06949	0.8
164.10626	0.8
169.99243	0.6
172.95175	2.4
173.35258	0.6
174.05373	2.1
174.06714	0.9
174.09059	4.7
176.04179	0.7
178.05827	2.6
180.53394	0.5
190.96242	2.7
192.06516	3.1
192.10155	72.2
193.10512	0.8
220.06966	2.4
220.09549	0.7
225.77194	0.6
238.10471	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	238.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04976	0.7
56.96496	1.5
57.07010	14.1
61.01088	0.5
62.14486	0.3
70.95791	0.4
72.01910	0.4
72.04430	83.4
72.99789	2.8
83.09372	0.4
88.02139	100.0
108.17764	0.4
109.01097	0.4
132.95801	0.4
139.18317	0.4
150.91640	0.4
150.96867	1.9
164.71803	0.4
165.07301	0.6
173.98421	0.8
182.06326	16.5
192.06476	0.6
193.06828	0.4
210.92160	0.4
226.10632	0.4
238.12579	13.9
247.22688	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00119	1.3
59.03131	11.7
61.01057	13.7
61.44161	1.8
62.98957	2.3
67.05409	2.2
69.06984	2.2
71.08548	4.6
73.04673	14.0
73.12080	1.7
75.02596	18.9
77.00509	4.0
77.04153	57.9
79.02074	22.0
81.06984	2.3
91.05717	100.0
93.03644	45.2
95.01570	8.4
105.07287	9.3
109.06783	3.8
115.09359	7.8
117.07288	4.0
133.03482	3.4
133.10403	48.8
137.88451	1.8
143.71846	1.8
150.96840	9.0
151.11482	9.8
156.11871	2.8
164.33835	1.8
173.98547	2.4
198.18484	3.4
215.18274	13.4
238.10559	1.8
238.19737	4.2
239.08820	2.0
242.38208	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78413	20.9
51.74920	21.4
51.80409	28.9
57.03611	27.8
58.47941	24.1
59.99882	20.9
60.80959	22.2
70.06507	28.8
84.08060	100.0
85.53928	25.8
92.10783	38.3
98.13877	29.2
99.58627	26.8
108.77015	26.1
136.07524	33.4
141.36858	25.7
150.05423	40.0
155.61089	27.1
201.60854	26.6
253.62915	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0312
Annotation	Unknow
Peak:m/z	Relative Intensity
63.42300	59.3
69.03391	56.5
84.08080	83.1
127.03824	64.0
150.05492	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96498	10.4
58.81920	0.2
60.12674	0.2
64.33441	0.2
71.04888	0.2
71.95175	1.0
72.08078	0.3
81.03293	0.2
98.97507	79.6
102.96808	0.4
116.98562	100.0
118.99097	0.2
119.01876	1.0
134.99615	94.9
137.00044	0.3
137.02890	0.3
138.98895	0.2
140.00182	2.5
153.00679	23.9
156.97392	0.3
157.97604	0.3
158.01216	12.4
158.99551	0.3
174.98457	0.9
175.04399	0.2
175.98683	0.3
176.02246	4.3
177.00662	10.0
181.02879	0.2
182.64143	0.2
195.01727	12.0
200.02264	0.4
218.03311	0.5
218.05528	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	12.3
55.01804	4.9
55.05448	2.9
56.96497	10.7
57.03366	11.1
57.07031	2.3
61.02848	4.5
67.05414	9.8
69.03345	58.5
69.06966	3.4
70.06508	2.8
71.04903	3.1
72.08081	3.3
76.17986	2.3
79.05412	8.8
81.03339	45.2
83.01251	3.3
83.04897	3.9
84.08070	10.8
85.02820	53.3
86.03140	3.3
86.09683	2.6
91.05393	11.2
92.10687	4.3
93.07001	2.7
95.04887	15.1
97.02814	100.0
98.97512	64.5
99.04393	20.6
101.02348	3.3
107.04913	10.6
109.02827	9.3
110.07110	13.9
111.04398	9.8
115.03860	3.8
116.98563	94.7
120.07998	2.6
121.02847	2.3
123.04398	10.4
125.02254	2.9
127.03857	15.1
128.04176	2.8
134.99615	90.6
135.04346	5.1
139.03880	2.9
140.00113	2.5
145.04950	5.4
151.03889	5.0
153.00676	23.7
158.01207	10.2
163.03899	2.9
177.00639	9.7
181.07137	2.4
186.57632	2.6
195.01752	4.1
229.55154	2.3
241.07022	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	241.1544
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
52.46623	0.3
54.81464	0.3
58.06531	30.5
70.06506	4.6
72.08051	0.4
77.56013	0.4
81.03327	0.7
84.08062	16.3
98.09615	2.7
98.97513	1.6
114.05450	0.7
116.07026	0.6
116.98565	1.4
126.05418	0.5
128.10669	5.4
134.99655	0.6
144.10214	2.6
150.14687	0.4
168.10126	1.9
196.09660	8.2
213.15973	0.5
221.44923	0.4
241.15410	100.0
250.17188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81956	1.3
55.05444	1.2
56.04961	2.3
56.96494	5.3
57.03352	1.5
58.06523	2.2
59.04919	3.2
61.02828	1.3
62.06020	13.7
69.03339	2.7
69.06987	2.9
70.06498	5.5
72.08063	3.3
73.02813	1.9
73.08515	1.3
78.03689	1.8
81.03309	2.3
83.06024	30.8
84.04423	6.1
84.08067	9.3
84.95961	1.6
85.02814	3.1
86.09605	8.7
88.03894	1.3
95.04893	5.0
96.04385	1.3
97.02818	6.8
98.97495	16.4
99.97827	2.4
110.07087	5.8
112.03664	3.1
116.98568	15.3
117.98873	2.2
119.01864	2.3
122.05993	2.3
123.04386	18.3
134.99646	14.2
135.99936	2.0
151.86580	1.4
152.07024	1.4
153.00716	1.6
153.05226	2.6
161.02899	1.8
162.37794	1.3
165.05391	2.2
173.02911	2.0
177.00751	2.9
178.08575	1.4
203.03784	1.4
219.01637	1.7
224.08955	7.5
242.09937	100.0
242.14923	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	242.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81734	1.3
56.96480	1.4
57.07013	20.1
58.02886	10.3
59.93058	2.2
67.84812	1.5
69.06960	1.5
71.08537	8.5
80.70139	1.3
85.10096	2.7
88.07543	7.7
89.42146	1.4
92.10956	1.7
98.97508	8.6
99.97874	1.7
100.11213	2.7
102.09103	17.1
116.10680	3.9
116.98529	12.0
117.98879	3.1
118.96713	31.1
132.96648	2.0
133.99075	3.4
134.99634	15.2
135.99982	3.3
142.15884	7.3
153.00615	2.1
154.96439	8.5
172.97444	2.6
176.09915	1.7
177.00691	1.5
177.98021	21.4
186.22090	2.0
187.80217	1.7
200.99637	1.7
242.24728	100.0
242.28311	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	243.0526
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70774	79.5
59.92035	85.9
62.63314	73.2
63.83460	80.5
76.55440	93.9
84.06823	100.0
84.63985	97.9
93.59107	91.3
113.10928	93.5
167.24785	95.1
193.51625	99.4
226.80579	93.7
237.18880	95.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11311	0.5
53.03900	0.7
54.57181	0.5
54.92329	0.6
55.05444	5.8
56.04966	1.2
56.96497	6.9
57.03374	13.9
60.08111	0.7
61.01069	0.6
63.07600	0.5
65.03854	1.2
67.05430	2.3
69.03347	3.4
69.06982	1.0
69.43051	0.6
70.06506	7.8
71.04893	1.0
72.08064	10.6
73.02823	1.5
74.05986	0.7
75.04399	1.6
77.03850	0.8
79.05408	2.5
81.06968	7.1
82.06535	0.7
83.04910	1.4
84.04429	1.5
84.08070	18.4
84.95945	1.3
85.02818	3.3
85.06477	0.9
85.08425	0.7
86.09634	6.7
88.03918	0.8
91.05404	52.2
93.06990	1.6
95.04897	12.2
97.02835	4.6
98.06030	0.8
98.09613	2.7
98.97514	8.2
99.08035	0.8
100.07550	1.3
103.05413	2.5
105.06978	3.3
107.04884	1.3
107.08552	1.2
109.02851	0.9
109.06425	4.4
110.07118	3.0
110.97509	0.7
111.04409	1.3
116.10690	3.1
116.98589	6.8
117.06926	0.8
117.19473	0.6
119.04894	34.9
119.08527	1.4
120.08076	2.4
121.06447	2.7
122.03591	3.3
123.04379	69.0
123.08003	1.3
127.03831	0.8
128.07072	0.7
128.98560	2.9
129.06981	0.7
129.10182	5.6
130.06467	0.8
131.08458	0.7
133.02756	0.8
133.06413	1.0
134.99597	5.5
135.04430	0.9
135.08005	0.8
136.05191	7.0
136.99223	0.9
137.05005	1.1
137.05963	19.5
137.09673	0.7
139.03830	0.7
140.04655	4.1
143.08499	0.8
145.10130	0.8
146.99629	2.7
147.08063	0.8
149.05946	0.8
151.07518	100.0
153.00656	0.9
154.06221	41.2
155.07016	3.8
158.99612	1.3
161.01135	0.9
165.00726	0.7
165.05476	1.0
165.08998	0.6
166.06305	0.8
167.07002	2.6
168.04149	4.7
169.08569	8.8
173.13254	1.3
174.06641	1.0
177.00679	1.5
178.43857	0.6
183.06493	41.3
184.06865	0.7
189.00662	0.8
189.09087	2.8
193.05064	0.6
197.01303	0.8
198.14847	6.4
207.10089	4.8
211.57010	0.7
219.01688	0.8
222.06395	1.4
225.11209	1.5
226.14391	3.8
243.04955	1.6
243.12186	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	244.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83351	0.2
51.04948	0.2
56.96513	0.4
58.18834	0.2
60.00558	0.2
72.93697	0.3
82.99786	0.3
84.08072	0.8
89.74229	0.2
94.56451	0.2
98.43466	0.2
98.97517	1.3
100.02393	0.2
101.00807	7.4
112.72987	0.2
116.98598	1.4
119.01875	100.0
120.01995	1.3
120.97849	0.2
121.02343	0.2
124.02361	0.2
128.08264	0.2
131.01826	0.2
133.03415	0.3
134.99622	0.3
137.02931	59.5
137.29543	0.2
138.03038	0.7
139.03323	0.2
142.02359	0.4
142.03479	12.1
143.01874	0.7
148.95412	0.2
156.62195	0.2
157.03360	0.3
160.04530	6.3
161.02916	13.3
165.05098	0.3
168.61951	0.2
175.04425	0.2
178.00984	0.3
179.03970	35.2
184.04526	1.0
202.05568	2.0
203.03987	1.0
220.02025	0.4
221.01682	0.7
221.05038	2.5
222.26208	0.2
244.05399	0.3
244.13252	1.2
245.05049	0.4
262.03162	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.227
Annotation	N-(2-HYDROXYETHYL)DODECANAMIDE
Peak:m/z	Relative Intensity
51.54385	1.5
54.58485	1.4
56.96501	3.5
57.07014	18.6
57.08647	1.3
58.06523	10.8
70.06503	9.8
71.08545	3.5
72.08078	1.9
72.93687	2.9
74.59493	1.4
83.08528	1.8
86.05993	31.8
90.94749	4.0
98.97535	3.1
100.02406	2.8
100.07540	49.1
102.96799	11.6
112.05025	2.8
112.88806	1.5
113.03433	3.8
116.98586	2.7
118.03474	2.1
118.08619	3.1
119.01906	2.1
119.98250	1.8
120.97858	17.2
133.31624	1.8
134.99635	3.2
138.98920	19.4
146.33141	1.7
156.99954	6.9
162.00536	2.0
167.97141	2.2
197.99168	2.7
203.05295	2.6
226.21603	100.0
244.22659	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	244.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01801	0.9
55.05453	5.4
55.93462	4.4
56.04967	1.1
56.96497	3.8
57.03386	1.0
58.06523	4.1
60.04456	0.9
65.67662	0.6
66.94754	0.6
69.03368	2.6
69.06981	1.1
70.02846	1.0
70.06500	10.0
71.04924	0.7
71.08543	11.7
71.92927	1.2
72.08065	100.0
72.93694	17.4
79.05406	0.7
81.03336	1.0
81.06949	1.0
82.06490	1.1
83.08537	1.4
84.04418	7.4
84.08063	20.9
85.02819	1.5
86.09615	10.0
87.04333	1.0
88.81025	0.6
90.94743	20.8
92.64216	0.7
96.04371	1.2
97.02823	3.3
98.97502	3.7
99.08015	19.4
100.11185	9.6
101.00848	1.0
102.96832	2.9
107.04897	1.2
108.95787	8.2
110.07094	1.3
111.04387	1.4
112.05023	3.1
112.11253	2.3
113.03429	7.7
113.96322	1.7
116.98569	5.1
119.01872	17.1
120.01998	0.8
120.97883	2.9
125.96067	3.3
128.10640	1.5
128.98563	1.1
129.10205	5.5
130.08626	1.5
131.01810	1.4
131.97415	3.9
134.99629	3.5
137.02928	11.3
137.05910	3.3
137.99228	0.8
138.98903	3.1
139.99284	1.0
142.03448	1.3
143.01875	0.7
146.99649	1.0
147.11215	0.9
149.96063	8.2
150.96825	1.2
155.01561	17.2
156.13803	93.7
157.00034	1.2
160.02789	0.8
161.01622	0.6
161.02905	6.4
167.97115	15.4
172.97745	5.5
173.16418	5.1
179.03975	3.6
185.02908	1.6
190.98767	3.8
203.05235	3.5
221.04977	1.3
225.05049	0.7
227.21112	13.5
244.23767	22.6
245.04982	1.3
245.18581	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	245.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89349	0.2
55.01799	0.3
55.05444	1.6
55.93454	1.2
56.04975	0.3
56.96496	1.4
57.03360	0.5
57.06985	0.3
60.48317	0.2
60.95774	0.3
63.55658	0.3
67.05434	2.4
69.03343	1.6
69.06988	10.7
70.02867	0.4
70.06500	1.8
71.04915	3.6
71.92928	0.4
72.08064	0.5
72.93696	4.1
73.02856	0.3
76.77332	0.2
79.05399	2.3
80.04906	0.3
81.03323	0.4
81.06979	1.9
83.04895	0.5
84.04427	1.1
84.08064	4.6
85.02825	1.1
86.05450	0.3
86.05988	14.9
86.09624	100.0
87.09969	0.4
88.67773	0.3
89.93973	0.3
90.94744	4.0
91.05396	1.4
93.06960	1.3
95.04889	1.8
95.08512	0.6
97.02818	0.3
97.06462	0.4
98.97504	1.3
102.96796	1.1
105.06992	1.2
107.08553	1.6
108.95802	2.1
109.06431	0.5
109.10143	0.4
113.03438	4.9
113.96384	0.5
114.05478	5.7
116.98533	1.1
119.01826	0.4
119.08532	0.5
120.08060	0.6
120.97865	2.0
121.06460	0.4
121.10072	0.4
123.04393	0.2
123.08024	1.7
125.96042	0.5
126.57954	0.3
129.10179	1.2
130.06474	0.5
131.08530	1.2
131.97458	0.4
132.10162	15.0
133.06477	0.4
134.99649	0.4
137.05937	0.3
138.98897	3.0
141.07008	0.5
142.07747	0.3
143.08553	1.1
145.10147	0.6
147.29697	0.3
149.09584	0.3
149.96133	1.9
150.96822	0.4
156.09338	1.8
157.00038	0.5
161.02925	1.1
165.06982	0.3
167.97134	3.2
171.11671	1.2
172.97729	1.3
180.99895	0.3
184.08781	0.3
185.07040	0.5
190.98738	1.1
199.11163	1.7
245.11743	0.5
245.18578	2.6
246.90799	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1857
Annotation	Ile Leu
Peak:m/z	Relative Intensity
51.65731	0.2
53.58559	0.3
55.01797	0.4
55.05441	0.5
55.93441	0.4
56.04965	0.3
56.96496	0.5
61.96203	0.3
67.05398	0.3
68.42421	0.2
69.06984	3.0
70.06494	1.8
71.65917	0.2
71.92953	0.3
72.08057	1.1
72.93698	1.9
77.70515	0.3
79.05392	0.4
81.06972	0.3
84.04428	0.3
84.08057	4.5
85.02813	0.4
85.08394	0.3
86.09619	100.0
88.03904	0.5
90.94747	1.7
91.05392	0.6
93.06953	0.5
95.08507	0.3
97.06477	0.2
98.97490	2.0
102.96787	1.1
107.08538	0.4
108.95789	0.3
110.07135	0.5
113.03412	1.5
116.98560	1.9
119.01765	0.5
120.08012	1.2
120.97834	0.6
129.10214	0.7
130.08607	1.4
132.10143	3.3
134.99644	0.6
138.98871	0.6
147.11273	0.5
149.96071	0.6
158.99641	0.4
167.97124	1.4
171.09122	0.3
172.97694	0.5
177.00665	1.2
199.18044	1.4
201.12267	0.5
211.06258	0.3
245.18500	5.0
249.75832	0.3
253.16150	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1859
Annotation	Leu Ile
Peak:m/z	Relative Intensity
58.59379	0.2
67.05407	0.3
69.06987	2.5
72.93705	0.6
76.56053	0.3
79.05418	0.2
81.22668	0.2
84.04438	0.2
84.08071	0.4
86.05994	0.6
86.09627	100.0
90.94744	0.6
105.06982	0.3
113.03432	1.1
130.06502	0.3
131.08443	0.2
132.10162	2.6
157.07590	0.3
167.97182	0.4
185.07114	1.0
199.11226	0.3
199.18073	0.5
201.18343	0.3
202.21141	0.3
209.65746	0.3
225.23962	0.2
245.09286	0.3
245.18483	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	245.1856
Annotation	Ile Ile
Peak:m/z	Relative Intensity
57.05738	0.3
58.06507	0.4
62.04773	0.3
69.06985	15.2
69.60300	0.3
79.18872	0.3
86.09620	100.0
92.77004	0.4
132.10175	0.8
146.28740	0.4
175.58337	0.4
245.18524	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1857
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
53.00239	0.8
55.05440	0.4
56.04971	0.7
56.96499	6.1
57.03374	3.6
57.07013	28.2
58.06527	0.5
58.07354	0.5
59.04939	0.4
61.02845	0.4
61.19492	0.4
68.98933	0.4
69.03002	0.6
69.03348	9.1
69.06985	14.5
70.06511	1.7
71.04922	0.6
72.08064	0.8
73.02821	2.0
74.49593	0.3
75.04430	0.4
79.05370	0.5
81.03364	0.4
84.08067	4.2
85.02824	8.0
86.09625	100.0
87.04395	4.9
87.09947	0.5
90.94803	0.5
97.02825	14.8
98.97511	39.7
102.01485	0.4
107.01768	0.5
108.95825	0.5
110.97512	0.8
111.02016	1.9
112.99082	0.4
113.01777	0.6
113.03433	1.9
115.03852	3.0
116.98566	25.5
117.02018	0.4
118.50129	0.4
119.01762	0.9
120.08037	0.5
123.01992	0.4
124.07522	0.5
124.99099	1.6
125.01717	0.7
127.13380	0.4
128.02289	1.8
128.98587	2.5
129.10222	1.6
131.00130	2.3
131.01736	0.8
132.02515	0.7
132.10172	1.9
133.04956	0.9
134.02324	0.7
134.98627	0.4
134.99632	10.9
137.02805	0.6
138.02586	0.5
140.02280	0.9
140.25206	0.3
140.98584	1.0
143.00143	7.2
146.02298	2.6
146.99655	2.0
147.03137	0.9
149.01233	1.8
153.00720	1.5
155.02805	2.1
156.98058	1.3
158.99593	8.7
161.01189	9.8
167.02829	0.6
170.99599	3.5
173.01231	0.6
174.99121	1.9
176.03340	1.8
177.00658	15.1
178.01045	0.5
179.02321	2.9
182.99570	3.6
185.01277	0.5
185.03847	13.0
185.54045	1.8
189.00664	8.0
194.04440	3.9
195.01735	2.7
199.18015	1.5
201.00664	9.4
202.01149	0.5
204.06487	2.3
207.01761	4.9
213.00662	0.5
213.06979	15.5
213.57118	3.5
219.01703	11.9
224.57857	0.8
231.01605	0.9
237.02786	2.2
245.18535	4.0
249.02760	11.7
267.03738	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	245.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93964	0.6
55.05450	21.8
55.93456	5.7
56.04953	0.9
56.85756	0.7
56.96500	6.7
57.03359	1.3
60.04441	1.7
67.05379	1.0
68.00591	0.9
69.03342	1.5
69.06978	1.9
70.02865	1.3
70.06502	6.0
71.04896	0.9
71.74977	0.8
71.92901	1.2
72.08066	9.8
72.93318	1.4
72.93699	24.5
73.02818	1.2
73.94476	0.7
81.03328	3.3
82.06478	0.9
83.04892	5.1
83.08542	9.4
83.81386	0.8
84.04425	8.1
84.08067	17.2
85.02805	3.8
86.09634	9.0
87.04379	1.2
88.03909	1.3
89.93916	0.9
90.94752	23.8
91.05394	1.4
93.06956	0.9
93.23469	0.7
94.70092	0.8
95.04850	1.1
96.00769	1.1
97.02818	3.5
98.97502	1.2
100.11180	100.0
101.05963	5.8
102.05474	1.0
102.96818	3.0
103.05414	1.1
106.56418	0.8
107.95007	0.8
108.95805	10.0
110.05944	0.8
110.07114	1.4
111.04393	5.0
113.03435	17.4
113.96311	1.8
116.98542	3.5
117.13817	1.9
119.01833	7.5
120.08045	1.5
120.97813	5.6
125.96041	3.0
129.05437	1.7
129.10168	5.2
130.08588	1.2
131.01833	3.4
131.97375	4.0
134.99625	3.1
137.02917	4.4
138.02969	1.0
138.98923	4.4
145.03522	0.9
149.24088	0.8
149.96066	9.2
150.96899	3.7
155.01695	1.1
156.13791	1.7
156.99971	1.2
157.03444	1.3
161.01187	0.9
161.02890	8.3
162.00406	0.9
167.97116	21.0
172.97595	6.0
173.02948	1.2
175.04477	1.9
182.15338	1.6
185.02873	3.6
187.04399	1.2
190.98721	6.2
191.03947	0.8
203.03760	1.0
209.16463	6.2
227.17442	1.3
245.09779	1.4
245.18541	41.3
260.91830	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1447
Annotation	Leu-Gly-Gly
Peak:m/z	Relative Intensity
55.05448	4.8
56.04959	1.5
56.96500	0.7
57.03358	0.8
64.33356	0.6
65.65026	0.6
67.05436	0.7
69.03337	1.0
69.06983	17.8
70.02855	1.2
70.06511	5.3
72.08068	70.4
73.02812	1.1
76.03909	3.0
83.04940	0.6
83.06023	1.1
84.04425	15.9
84.08068	7.5
85.02830	3.4
85.03959	0.9
86.09624	100.0
87.05504	5.0
88.03906	3.1
92.10337	0.7
92.63988	0.6
93.06949	0.6
97.02854	2.4
98.02338	1.4
99.04385	0.7
101.07054	2.5
102.05451	0.7
110.02347	5.3
110.07152	0.9
113.03412	2.5
113.10726	3.3
114.03733	1.4
116.07011	1.3
118.08588	2.6
119.01855	1.3
121.01578	0.9
124.03872	1.4
127.03889	1.4
129.10193	24.2
129.11128	1.4
130.04987	1.6
130.08652	0.7
132.10136	1.4
133.06068	1.3
133.77446	0.8
139.02718	1.1
141.10211	7.5
143.11821	2.7
157.09705	3.5
161.02917	1.4
162.03072	2.3
166.08606	5.2
168.06310	0.7
171.11215	4.5
172.07536	0.9
182.36279	0.7
187.10802	2.7
193.00163	0.8
212.09117	2.7
229.11806	3.1
231.46054	0.7
246.14346	1.4
257.47882	0.6
261.55927	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1445
Annotation	H-Ile-Asn-OH
Peak:m/z	Relative Intensity
53.32176	1.2
60.27922	1.4
69.06988	67.2
70.02867	22.4
73.06468	4.3
75.05497	2.7
80.01286	1.7
82.02866	1.6
84.08065	7.7
85.03963	25.6
86.09625	89.0
87.05516	74.1
87.31046	1.9
88.03906	3.1
92.10246	4.0
96.34408	1.6
97.06493	2.0
98.02355	24.8
99.47323	1.6
101.44877	1.6
110.02356	100.0
110.03109	4.1
113.10715	69.4
114.37038	1.9
124.03925	19.2
125.49895	1.8
132.10170	10.6
138.09163	2.5
141.10202	98.3
143.11778	11.8
155.11755	4.0
162.40652	2.2
165.00583	1.9
166.08609	64.4
183.11266	7.5
183.43559	1.9
187.10732	31.6
200.13927	11.9
211.10684	3.0
212.09145	46.3
223.34134	1.6
229.11748	23.9
246.14468	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	246.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81461	0.8
57.06775	0.8
57.07008	15.3
62.06000	0.8
64.33114	0.6
70.06146	0.9
70.06506	22.8
71.08527	4.5
75.77623	0.8
77.70815	0.7
85.10082	3.1
88.07549	32.2
102.09118	6.4
105.87161	0.7
106.08605	14.7
161.24210	0.7
191.54951	0.8
228.23123	11.0
246.24202	100.0
247.24574	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	247.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80864	0.7
53.00246	1.7
53.03881	1.8
55.01805	5.2
55.05440	2.0
56.04972	12.1
57.03371	14.0
61.01063	9.5
61.02855	4.1
65.03841	1.5
67.01799	0.8
67.05425	1.8
68.99700	1.4
69.03344	100.0
69.06664	0.9
69.06982	8.3
70.02863	2.0
70.06507	14.1
70.89733	0.7
71.01260	2.9
71.04908	1.6
72.08069	1.3
73.02834	4.7
75.04430	0.8
75.66099	0.8
76.82063	0.8
79.05400	3.9
81.03330	21.6
81.06965	1.1
83.01250	9.4
83.04892	6.3
85.02822	49.4
85.03902	3.1
86.09620	75.5
87.04395	4.7
88.03368	1.5
88.03909	43.9
91.03844	1.1
91.05383	3.0
92.64223	0.9
93.03270	1.0
95.04885	5.2
97.02813	67.3
97.06458	0.9
97.74176	1.0
98.02339	3.2
99.00714	0.9
99.04383	9.5
101.02332	1.2
104.05267	10.5
107.04877	3.4
109.02827	5.7
109.06446	1.5
110.02352	9.5
111.04379	7.5
113.02287	1.6
113.10689	8.4
115.03870	22.4
116.07030	21.1
120.08056	0.9
123.04358	4.4
124.03875	1.4
125.02289	1.5
127.03878	18.8
129.11967	0.8
131.03358	1.9
132.10161	20.0
135.04369	1.9
137.05952	1.8
138.09070	1.1
139.03876	5.7
141.10187	15.8
152.64314	1.0
156.10109	1.6
157.04886	8.1
163.03908	3.3
165.05466	5.6
166.08577	8.7
181.04900	1.5
183.11226	1.7
184.09619	2.0
187.10735	2.0
199.05879	0.9
199.10777	1.3
201.12309	14.2
211.05986	2.0
212.09085	3.9
229.07018	5.0
229.11794	2.0
247.08110	3.0
247.10670	1.8
247.12880	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	247.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00247	1.2
53.03875	1.8
53.54069	0.8
55.01805	5.0
55.05433	3.7
55.71592	0.8
57.03374	13.6
57.07013	2.2
61.02843	1.5
65.03851	1.5
67.05424	3.7
68.99718	1.1
69.03348	94.3
69.06979	1.1
70.06499	5.7
71.01258	1.8
71.04898	4.1
72.08059	3.7
73.02827	1.7
74.02347	4.3
74.05967	1.0
75.84356	1.0
79.05379	4.0
81.03334	16.7
81.06988	2.1
83.01256	5.6
83.04893	6.9
84.04408	3.6
84.08079	3.9
85.02825	50.1
85.78593	0.8
86.09612	9.9
87.04379	5.0
87.09974	1.3
91.03878	1.4
91.05374	3.7
92.71017	0.9
95.04881	4.7
97.02822	50.0
99.04383	11.0
102.96807	3.5
105.07035	1.4
107.04885	1.5
109.02814	4.2
109.06488	1.6
110.07102	1.6
110.61625	0.9
111.04398	7.9
113.02253	1.3
115.03878	22.2
115.05312	1.1
118.06499	7.4
120.08032	1.4
123.04414	1.4
125.05925	1.5
125.07858	1.3
127.03859	12.4
128.06155	1.7
129.06964	29.9
130.06477	11.9
131.03328	0.9
132.08038	11.0
135.04375	4.0
137.02237	0.9
137.05931	1.2
139.03864	4.1
142.06471	1.7
143.07277	2.1
144.08060	17.6
146.05992	16.6
146.07088	1.5
153.01768	1.4
155.07248	1.7
156.08054	100.0
157.04944	7.4
157.08752	1.0
158.09653	2.0
160.07590	5.7
165.05463	4.5
168.08069	4.5
170.05936	10.6
174.09128	12.8
181.04916	1.4
183.06702	1.4
183.09129	3.5
184.07509	9.7
188.07060	10.2
193.04871	1.3
202.08640	5.1
211.05934	3.7
212.07005	1.9
217.07021	1.1
229.07089	4.5
229.09682	5.9
230.08080	13.8
247.08253	2.3
247.10707	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	247.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00253	0.6
53.03879	0.5
55.01797	1.3
55.05434	2.5
55.16498	0.5
57.03371	5.5
57.06997	1.3
57.81950	0.4
60.59586	0.6
61.02855	1.2
67.05416	0.9
69.03347	35.3
69.06984	0.7
70.06499	3.5
71.01259	0.6
71.04900	2.4
72.08065	2.4
73.02816	1.0
74.02357	6.4
76.55634	0.5
78.85233	0.5
79.05399	2.7
81.03336	7.1
81.06962	0.9
83.01252	3.8
83.04891	2.2
83.97868	0.5
84.04418	1.3
84.08070	4.0
85.02353	0.9
85.02827	16.7
85.17955	0.5
86.09617	5.4
87.04388	0.9
87.09957	0.6
91.05387	3.1
92.10477	1.1
93.06975	0.8
95.04881	3.4
97.02227	1.0
97.02821	21.1
98.97511	0.8
99.04364	3.1
102.96766	2.2
105.06963	2.2
107.04897	0.6
109.02816	0.9
109.06417	0.9
110.07103	2.1
111.04379	2.5
113.02293	1.0
115.03893	7.3
117.06963	0.5
118.06496	9.6
119.04908	0.5
120.08053	1.3
120.97852	1.1
123.04398	0.7
126.18873	0.5
127.03846	5.1
128.06180	2.1
129.06955	27.8
129.10202	0.9
130.05592	0.9
130.06485	12.2
131.07249	3.0
132.08049	11.2
135.04384	0.6
139.03856	2.3
139.50769	0.6
142.06493	1.1
143.07253	2.8
144.05721	0.6
144.08075	13.1
146.05981	16.6
146.09637	1.1
151.03850	0.7
153.01830	1.2
154.31943	0.6
155.07220	2.9
156.08055	100.0
157.04938	2.4
157.10037	0.7
158.05971	1.1
158.09653	2.3
160.07516	6.7
165.05438	0.9
167.07315	0.7
168.08086	4.8
170.05954	14.0
172.07547	0.9
174.09070	11.0
183.06744	0.8
183.09106	2.9
184.07539	6.8
188.07021	7.9
188.09479	1.0
193.04839	0.8
201.00693	1.0
202.08601	3.7
211.00824	0.6
211.05998	0.7
212.07014	0.7
215.06560	1.0
229.06847	1.1
229.09657	4.7
230.08116	10.6
247.08125	0.9
247.10719	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	247.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24310	0.3
56.82228	0.4
56.83334	0.4
56.96495	0.9
58.99520	3.6
61.01073	2.2
76.02160	1.5
84.08054	1.7
85.10294	0.5
86.09621	51.3
88.02132	100.0
88.03904	9.1
93.40405	0.4
98.09612	0.5
98.97488	0.6
105.06984	0.5
106.13162	0.4
115.05371	0.4
118.03247	0.7
132.10161	23.5
133.29539	0.5
142.06514	1.0
144.08443	0.8
144.10210	1.1
156.08415	2.5
170.05991	1.0
201.00746	2.0
201.10516	9.4
230.08409	0.7
247.11060	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1284
Annotation	alpha-Asp-Ile
Peak:m/z	Relative Intensity
53.03879	1.0
55.01803	1.1
55.05444	3.1
56.04971	20.1
57.03370	8.2
59.83923	0.5
61.01072	12.1
61.02840	0.9
65.03857	0.8
67.03750	0.7
67.05412	1.1
67.89492	0.5
69.03345	41.5
69.06980	13.6
70.02871	3.3
70.06503	19.3
71.01266	1.1
71.04886	0.8
72.08073	2.8
73.02821	4.4
74.02351	0.9
79.05396	1.2
81.03326	9.2
81.06976	0.8
83.01262	4.0
83.04893	3.4
83.39700	0.6
84.08064	1.1
85.02824	24.5
85.03941	4.1
86.09621	100.0
87.04404	2.4
88.03907	49.3
89.04256	0.6
91.05406	0.9
92.10285	1.3
92.10815	1.4
93.03355	0.6
95.04868	1.6
96.08027	1.0
97.02819	27.6
98.02363	4.6
98.02989	0.7
99.00716	0.9
99.04383	5.0
100.03934	0.8
101.02412	0.6
104.05260	16.9
107.04924	0.6
108.20560	0.6
109.02796	1.6
109.06458	0.6
110.02348	14.9
111.04398	3.9
113.10705	10.5
114.09138	0.8
115.03866	10.6
116.07031	28.8
116.98601	0.8
123.04389	0.8
124.03896	1.3
125.05923	0.6
127.03862	9.6
129.10164	0.6
131.03473	0.6
132.10158	21.0
135.04376	0.8
137.05899	1.1
138.09058	1.1
139.03847	1.0
141.10190	19.3
149.03040	0.6
151.03909	1.0
155.11790	0.8
156.10182	4.7
157.04904	4.7
165.05473	1.2
166.08560	9.9
182.08075	0.9
183.11305	1.4
187.10712	4.8
193.04898	1.3
199.10735	2.5
201.12292	18.9
211.06033	1.2
212.09065	5.8
229.07001	1.4
229.11824	3.7
247.08156	1.2
247.10863	2.7
247.12894	4.3
248.91449	0.7
254.01132	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	3.7
55.01805	6.7
55.05442	21.2
56.96492	45.4
57.03361	6.6
57.07002	7.5
60.05565	5.1
67.05438	57.2
68.60704	4.7
69.03336	27.3
69.06973	18.1
70.06519	57.7
71.04911	8.9
72.08060	58.5
79.05392	32.4
81.06971	50.7
83.04907	8.7
84.04423	8.9
84.08072	72.0
85.02826	79.0
86.03156	7.2
86.09644	34.8
91.05408	52.6
93.06980	72.9
95.04899	82.0
95.08511	19.9
97.02813	5.9
97.06427	5.5
98.97495	12.2
103.05396	19.9
105.06963	92.8
107.04192	5.9
107.04883	18.2
107.08522	29.2
109.06482	52.4
109.10104	5.7
110.07098	19.7
110.35817	4.3
111.04379	26.1
112.08662	6.3
115.05391	7.5
116.04797	4.7
116.98563	11.1
117.06950	20.6
117.23952	4.8
117.33250	4.9
119.08548	54.2
120.08053	46.8
121.06447	26.8
123.04398	33.8
123.08009	6.5
127.70766	4.6
128.06175	21.2
129.06934	10.7
129.10179	32.8
130.07712	7.5
131.08499	22.8
133.06462	6.1
133.10095	59.1
134.99623	7.8
135.08018	7.3
136.07530	7.2
137.05940	27.8
139.03883	53.7
141.06889	5.6
142.07739	11.7
143.08527	30.4
145.06465	8.2
145.10103	35.0
146.05991	20.5
146.07198	6.6
147.08009	7.4
150.96883	5.6
151.03844	22.1
151.07480	6.2
157.10088	10.5
158.07243	9.7
159.07976	21.7
159.09175	28.1
159.11656	19.6
160.09923	19.8
161.09598	79.8
163.07513	10.9
169.03198	5.2
172.08798	9.6
177.09055	8.4
183.11630	8.5
187.08612	46.5
187.11116	7.5
188.09393	86.8
189.09081	22.3
197.01135	32.4
199.99724	5.0
201.00687	18.8
201.12715	10.5
206.69417	5.1
211.11057	5.5
219.01782	6.5
219.13704	5.4
226.98062	4.9
227.02151	27.1
229.12097	6.8
237.02832	6.1
245.03258	6.1
247.10764	100.0
247.13257	24.6
249.09584	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	247.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	4.6
55.01806	5.0
55.05451	10.3
55.93460	5.3
56.96495	48.4
57.06992	6.1
60.05572	5.9
67.05422	44.3
67.09288	4.6
69.03337	34.0
69.06982	11.4
70.06502	53.9
71.04881	9.3
72.08066	34.8
79.05399	26.0
79.38396	5.4
81.03340	11.0
81.06969	26.1
83.04887	11.8
84.04440	6.2
84.08050	65.3
85.02813	84.9
86.03143	6.2
86.09615	39.0
86.21732	5.7
91.05392	56.3
93.06960	61.0
95.04889	62.8
95.08527	12.3
95.75047	5.3
97.02885	7.0
97.06482	5.3
98.97495	24.8
99.04351	5.2
105.06974	82.4
107.08576	20.5
109.06467	33.3
110.07112	24.2
111.04373	23.9
115.05376	5.9
116.98563	12.7
117.06892	7.4
119.08518	34.1
120.08033	48.6
121.06461	12.1
121.10079	11.3
123.04376	31.8
127.03889	8.7
128.06213	7.5
129.06956	7.9
129.10194	23.2
131.08525	24.1
133.10121	44.3
134.99603	12.1
136.07532	7.0
137.05937	12.4
139.03851	43.6
142.07776	7.0
143.08517	23.6
145.06447	22.3
145.10051	13.4
146.07239	6.8
146.99628	6.1
147.08003	7.3
147.11690	8.7
151.03882	25.5
155.08557	6.4
156.08092	6.9
157.10103	10.3
159.07951	12.8
159.09134	11.8
160.09944	9.9
161.09555	56.0
169.03304	8.2
171.08012	6.8
172.08858	7.0
173.13220	5.5
177.09047	9.3
181.04874	5.8
181.06380	7.7
182.99507	7.3
187.08650	35.5
188.09404	77.8
189.08997	9.0
193.38377	6.3
196.08748	6.9
197.01187	12.9
201.00638	54.6
201.12737	10.3
205.12340	6.7
213.84898	5.7
219.01772	30.1
229.12321	5.3
247.10699	100.0
247.13394	19.6
248.79469	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	247.6193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48019	6.5
56.32542	6.6
56.96505	100.0
60.95771	10.3
61.25658	7.0
64.60767	7.3
66.86966	7.1
67.05417	8.3
97.99122	8.4
105.06966	36.5
116.00186	9.8
116.98560	7.7
119.08535	9.9
121.06485	8.6
123.85007	7.3
125.06184	15.3
131.08504	13.4
134.06694	15.1
146.91798	8.3
156.08113	7.7
182.99702	8.9
201.00739	42.6
209.34534	9.8
219.01733	15.9
219.99994	9.5
243.08955	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	248.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	4.5
55.01810	3.8
55.94248	2.1
55.96837	1.8
56.04978	3.9
57.03365	11.4
58.06526	17.1
59.04935	22.6
60.04460	2.2
61.02840	15.6
69.03348	84.1
69.06974	3.8
70.06487	9.0
71.04897	4.9
72.04420	8.5
72.08048	12.8
73.02826	8.3
78.44971	2.0
79.05394	14.4
80.04856	2.4
81.03327	20.3
83.04902	3.9
84.04425	14.4
84.08062	5.7
85.02348	4.5
85.02829	100.0
86.05991	21.8
86.09642	19.2
87.04382	3.0
91.03904	2.3
96.04395	3.3
97.02828	65.0
97.06449	2.7
98.05976	11.3
99.04393	15.8
107.04894	13.0
109.02803	13.1
110.06001	5.1
110.07117	10.4
123.22026	2.5
126.05466	4.3
127.03858	21.6
135.04337	5.5
144.06535	3.7
145.04941	15.7
147.03206	2.5
150.05508	2.9
152.06990	18.4
153.05382	3.1
181.04800	16.0
199.06006	5.4
202.10629	3.1
230.10170	12.8
248.11220	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	248.1126
Annotation	Valinopine
Peak:m/z	Relative Intensity
55.01803	1.5
55.05463	1.1
56.96487	1.9
67.05426	1.4
69.02717	0.7
69.03355	1.0
69.06984	49.4
70.02872	1.4
70.06512	3.0
71.01260	5.7
72.08066	3.6
74.05981	1.1
75.61986	0.8
79.05360	1.2
80.01285	1.1
81.03338	1.5
81.06962	1.0
83.04900	1.0
84.08072	9.3
84.95948	0.8
85.02814	1.2
86.09621	100.0
87.04386	0.9
87.09937	7.0
88.10326	1.0
89.02305	5.2
91.05392	1.9
93.06988	1.7
95.08527	3.9
96.04404	2.0
97.02818	1.6
98.02351	29.4
98.05975	1.0
98.97529	2.0
100.03881	1.9
103.05381	1.7
105.06989	1.1
107.04889	4.9
110.02351	20.0
110.05993	1.2
110.07099	3.5
110.09621	1.2
115.07491	1.2
116.03395	30.5
116.98574	4.6
120.08035	3.4
122.06036	0.9
124.03899	5.1
124.07562	1.9
125.40081	0.9
128.03462	1.2
128.98518	1.1
129.10210	1.5
131.04878	4.1
134.04439	11.4
134.99586	3.9
138.09122	4.1
142.08598	1.1
149.05980	1.5
156.07945	0.8
156.10150	4.1
165.49843	0.9
165.51404	0.9
166.08569	19.7
177.00607	1.2
184.09654	21.7
187.04520	1.8
202.10706	38.1
212.09277	1.1
230.10168	5.1
248.08864	1.0
248.11102	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0367
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81428	11.9
56.04940	13.7
61.01437	11.2
70.06508	30.8
72.08060	86.4
75.01394	13.6
84.08070	14.9
86.90931	11.7
88.07858	14.1
104.03453	14.0
112.07603	14.2
117.46581	15.3
133.03116	32.1
138.05466	61.4
155.32211	12.0
184.53767	14.6
249.03716	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1847
Annotation	5-Hydroxy-8-methoxycalamenene
Peak:m/z	Relative Intensity
55.48154	0.8
56.96500	0.9
57.07011	74.0
67.05395	0.8
83.03642	0.8
91.52131	0.7
98.71851	0.8
98.92665	0.7
101.25905	0.8
131.04884	0.8
137.05951	23.6
165.60033	1.0
174.98552	1.0
175.11168	1.3
187.31367	0.9
193.12202	75.6
199.93555	0.9
213.00137	1.0
249.18423	100.0
250.18712	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81738	0.3
55.05441	0.5
56.04963	0.5
56.96494	1.6
57.03372	1.8
57.03608	0.2
57.86670	0.3
59.04943	0.3
60.04441	1.0
61.01073	0.4
61.02850	0.3
67.01794	2.2
68.04961	0.3
69.03339	1.4
70.06511	4.5
71.04919	0.3
71.39644	0.2
72.08064	2.3
73.02823	1.0
74.97556	0.3
76.56348	0.2
79.05383	0.3
79.51875	0.2
81.03345	0.4
81.22867	0.3
83.04901	0.3
84.04426	1.6
84.08057	1.5
85.02826	1.5
86.09624	2.1
87.04392	0.3
91.05421	0.3
97.02801	0.6
98.97523	1.5
104.48393	0.3
110.07128	1.9
112.08683	0.4
116.98555	1.4
119.01762	0.5
119.03530	1.1
127.03828	0.5
128.98563	0.4
129.10229	0.5
134.99625	0.6
136.06160	100.0
137.04559	1.1
137.06577	0.3
137.32016	0.3
146.99625	0.5
149.01208	0.6
162.07608	0.3
162.99118	0.3
173.02844	0.3
175.11870	0.3
176.03331	1.3
185.02794	0.4
186.09077	0.4
189.00603	0.4
204.10114	0.4
218.55963	0.3
250.09209	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	250.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00223	0.4
53.03879	2.3
55.01804	1.3
55.05451	7.5
56.96493	0.7
57.03373	4.6
61.02858	6.6
69.03002	0.9
69.03345	15.8
70.06521	5.3
71.04894	0.9
73.02821	2.3
81.03345	6.5
85.02826	62.7
86.09629	0.9
87.04385	0.5
88.07552	100.0
97.02826	10.7
98.97506	1.0
99.04363	1.3
101.02315	0.8
109.02847	5.7
115.33760	0.5
127.03847	9.3
145.04932	2.7
150.11636	0.5
159.41907	0.5
184.40007	0.6
228.01637	0.6
233.08832	0.5
259.77084	0.5
271.62128	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00235	0.7
53.03877	1.1
55.01797	1.4
55.05450	9.0
56.04965	0.7
56.96498	3.4
57.03374	6.2
61.02856	6.1
69.03347	16.1
70.06505	14.9
71.04900	0.7
72.08060	0.9
73.02822	3.3
73.06464	7.5
80.92244	0.6
81.03324	5.6
84.04456	0.7
84.08062	1.2
85.02822	67.3
86.09612	5.4
87.04387	1.5
88.07546	100.0
88.15967	0.6
91.05390	0.7
97.02813	16.0
98.97539	1.1
99.04370	3.0
103.44471	0.7
109.02172	0.7
109.02804	6.6
110.07098	0.9
112.08619	0.8
115.03869	0.8
116.07021	1.3
116.98555	1.2
119.01861	3.3
120.08055	1.4
122.79539	0.6
127.03869	8.9
131.01810	0.7
134.99591	0.9
137.02942	1.0
140.64502	0.6
145.03441	1.5
145.04944	3.6
161.02934	1.2
173.02873	0.9
173.06570	0.7
177.00757	0.8
181.32591	0.6
185.02879	1.5
191.85687	0.7
203.03966	2.6
204.07239	0.8
211.14204	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80754	1.7
56.96505	3.0
60.14868	1.6
62.34085	1.4
63.78459	1.5
63.84313	1.4
79.97929	1.6
105.39814	1.7
141.66103	1.8
250.17715	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17397	1.3
51.57379	1.4
54.73396	1.4
55.05436	2.1
56.96494	8.3
59.04926	17.8
63.84011	1.7
67.05424	3.0
67.36167	1.6
69.03335	3.2
69.06985	3.1
69.30669	1.4
71.04922	1.6
77.81573	1.7
79.05402	7.1
81.06973	14.4
83.04887	3.5
84.08032	1.7
84.91795	1.7
87.98040	1.7
91.05396	9.5
93.06960	9.1
95.08549	5.6
97.06421	2.8
98.97485	3.7
103.05409	2.6
105.06959	8.5
107.04942	2.1
107.08522	14.1
109.06453	2.5
111.08028	3.4
115.05401	10.6
116.98577	3.9
117.06960	12.2
118.97631	1.5
119.08540	11.5
121.10121	3.8
123.07993	1.9
125.09546	2.5
128.06183	22.2
129.06958	68.9
131.04903	10.8
131.08546	16.1
133.10081	6.1
134.99632	2.5
135.11699	3.6
141.30322	1.7
143.08554	2.0
144.05678	17.2
145.06493	14.3
145.10091	8.6
146.07265	11.7
149.01248	2.7
149.05922	2.7
149.09631	3.5
153.09065	4.0
155.04900	20.0
155.06030	3.2
157.06442	13.2
158.07219	16.3
159.04353	9.6
159.08061	4.1
160.05157	13.5
161.09560	1.9
172.05127	17.8
173.05948	10.9
174.06728	100.0
175.07471	29.7
177.05457	2.2
183.04488	3.5
187.07489	69.2
187.09109	3.4
189.09079	46.5
201.05447	2.2
203.06998	6.9
205.04900	10.3
211.48335	1.7
215.06964	35.4
230.15666	1.7
233.08037	81.5
251.16455	7.3
264.21097	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40726	4.2
56.96502	80.6
59.04927	43.7
69.06963	5.3
79.05415	20.1
81.06950	6.3
83.08548	5.1
83.66295	4.1
83.97552	9.1
84.95943	7.2
91.05402	8.1
97.99103	10.2
98.97510	6.9
105.06985	11.5
107.04898	38.4
115.05379	9.8
116.00144	11.3
116.98598	6.5
117.06971	10.6
119.08531	9.9
120.08186	5.1
123.04394	5.9
123.08014	4.9
124.05119	8.2
128.06221	6.3
129.06949	5.0
130.07759	26.6
131.08505	7.1
133.06429	6.0
134.99640	6.9
143.08566	32.9
145.06471	23.5
145.10124	42.1
145.11104	5.0
152.04562	9.7
155.08553	19.4
158.07239	81.5
159.08049	6.4
161.05984	7.8
167.07005	100.0
173.09605	75.8
178.06201	21.7
186.06702	7.0
192.07780	31.3
201.09077	69.4
213.06369	4.8
215.50626	5.9
233.11713	21.5
251.12718	30.2
251.18022	6.3
270.34299	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	252.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40010	0.4
55.05457	0.6
56.96495	0.5
69.31296	0.5
70.06498	4.0
72.08065	1.8
78.60740	0.4
79.05404	38.1
84.08025	0.5
85.08952	0.4
86.09619	2.1
87.00762	3.5
88.03905	0.6
91.12292	0.4
92.10245	0.9
95.04814	0.6
103.05396	10.6
104.03396	31.4
105.06945	1.7
106.05752	0.6
106.06491	38.8
107.04890	100.0
115.11839	0.4
118.06487	2.2
120.08054	21.9
129.10193	0.5
131.04878	22.9
132.04425	2.4
146.05969	5.4
149.05946	4.1
168.72267	0.5
187.10834	0.5
188.07031	2.5
192.04787	0.7
192.06503	16.1
206.08109	6.0
234.07594	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	252.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23541	0.2
54.23926	0.2
56.38082	0.2
56.96495	2.4
59.04934	8.8
60.04466	0.2
61.23166	0.3
67.05412	0.3
69.03354	2.6
69.06953	0.3
70.06516	0.4
79.05395	1.2
81.03329	0.3
81.06969	0.4
84.08048	0.6
84.44035	0.2
85.05740	0.3
86.09682	0.4
91.05395	0.6
93.06980	2.1
95.04878	0.3
95.08539	0.5
95.60381	0.3
97.02839	0.3
98.97501	0.5
103.05400	6.1
105.06994	1.1
107.04897	2.3
107.08527	0.6
109.10107	1.1
111.38699	0.3
116.98564	0.4
117.59189	0.3
118.06513	0.4
119.08558	0.4
120.08052	100.0
123.08015	0.5
129.10075	0.3
131.04890	1.2
133.10107	0.3
135.11703	0.5
137.09470	0.4
143.08484	0.4
145.10121	1.7
149.05972	0.5
160.11182	7.8
166.08569	7.2
175.14726	0.4
188.10689	1.4
205.16107	0.4
206.11726	11.3
234.11105	1.2
252.12154	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1181
Annotation	Phenylalanylserine
Peak:m/z	Relative Intensity
52.75128	0.5
54.49585	0.4
56.32750	0.4
60.04458	57.0
61.76498	0.6
65.81708	0.4
84.63361	0.5
86.88136	0.6
87.02219	0.5
87.05508	1.2
91.05435	0.8
103.05392	4.6
107.04895	2.0
112.84248	0.5
120.08060	100.0
120.45253	0.5
131.04874	3.1
144.08092	2.4
149.05937	1.1
160.07596	0.6
162.09053	2.3
166.08598	27.0
207.11238	6.2
235.10767	1.2
253.11745	7.2
270.65445	0.6
274.73489	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01788	0.5
56.04958	3.2
56.96490	0.6
57.06998	0.5
58.25227	0.3
69.03353	0.5
70.06492	3.9
71.04927	0.4
72.08047	1.5
76.55949	0.4
79.05407	0.3
80.04918	0.4
82.80562	0.4
84.04422	64.0
84.08060	3.5
85.02800	1.7
86.09628	1.5
87.27692	0.3
88.03889	0.4
91.18496	0.3
92.04916	2.4
94.06495	0.4
97.02819	0.5
98.97497	0.5
102.05465	1.5
103.55401	0.3
108.04449	0.4
109.05201	39.2
120.08031	0.9
124.07542	100.0
129.10181	0.4
130.04962	6.1
135.04530	0.3
135.18066	0.3
148.07539	1.8
162.09093	0.5
189.13875	0.6
216.97960	0.4
217.13321	1.4
236.09171	4.1
253.11716	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	3.1
55.01813	1.5
55.05451	12.1
56.04968	1.0
56.96513	0.8
57.03372	9.6
59.04933	0.7
60.04441	0.8
61.02855	13.5
64.33486	0.8
69.03347	24.4
70.06503	2.6
71.04900	3.3
73.02835	5.9
73.06467	33.5
76.85718	0.6
79.05416	0.6
81.03332	9.2
83.01237	0.7
84.04419	1.2
84.08080	3.7
85.02826	100.0
86.09608	2.6
87.04404	2.5
91.03876	1.4
91.05405	1.0
92.10754	1.1
95.04888	0.7
97.02820	21.9
98.28702	0.6
98.97514	0.9
99.04395	3.3
101.02314	0.7
107.04898	0.9
109.02811	9.1
110.07108	1.3
115.03859	1.0
116.98577	1.0
119.04900	0.9
120.08056	3.6
123.04372	1.1
127.03869	15.0
129.10194	1.3
131.46233	0.6
133.51038	0.6
136.07584	7.1
145.04919	12.5
163.06021	1.3
165.05453	1.4
182.08122	1.5
253.11974	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57877	0.8
53.03876	2.2
55.01785	1.4
55.05451	14.1
56.04970	1.7
56.96490	1.6
57.03371	8.6
59.04938	1.2
60.04448	1.7
60.08087	2.2
60.21214	0.9
61.02848	10.1
65.82711	0.9
69.03345	26.6
70.06500	6.9
71.04884	3.2
72.08080	1.9
73.02816	3.6
73.06462	55.3
74.05959	1.6
81.03331	9.5
84.08047	8.9
85.02820	99.6
85.91422	0.9
86.09607	2.3
86.43774	0.9
87.04359	1.1
88.03915	1.2
91.05374	1.7
97.02816	20.0
98.05974	17.2
98.40240	1.0
98.97491	1.3
99.04362	5.2
103.05389	6.3
109.02830	9.4
109.06588	1.0
110.07098	5.2
111.04377	3.8
112.07552	6.9
114.33857	1.1
115.03773	1.0
120.04493	1.1
120.08048	100.0
125.05902	3.7
127.03871	13.9
129.10201	1.7
132.00128	1.1
132.08025	1.4
134.99625	1.0
136.07466	2.1
144.08023	1.5
145.04951	8.4
149.05957	4.2
153.05434	8.3
163.05936	2.3
167.11826	1.4
174.96826	1.2
180.99733	2.1
189.00752	1.7
193.05005	1.1
195.11227	4.1
212.07564	2.2
212.98882	1.3
223.00935	1.4
230.08678	2.2
253.11610	1.9
254.16071	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	253.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88766	1.1
53.26672	1.0
53.77436	1.1
54.81954	1.4
55.05457	1.3
55.40257	1.2
56.96485	2.4
59.96616	1.2
61.83288	1.1
77.11728	1.3
98.97501	3.2
116.98602	1.7
178.20772	1.5
210.15770	1.7
217.04601	1.5
253.14066	100.0
264.49661	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00254	0.7
53.03884	0.7
53.71707	0.6
54.82039	0.8
55.05444	6.2
56.96493	4.5
57.03363	0.9
59.91106	0.7
67.61346	0.7
69.03340	0.8
70.09183	0.7
71.04540	1.5
71.04906	21.8
79.05405	5.2
81.03338	3.1
81.06958	1.0
83.04900	10.1
85.02820	0.9
89.05925	0.9
91.05402	12.7
93.06966	1.5
93.60544	0.7
95.08543	1.3
97.76590	0.7
98.97522	1.2
101.05952	1.7
105.06974	10.4
107.08536	100.0
108.04427	0.9
109.06473	6.1
109.58300	0.8
116.98554	1.7
119.06084	1.2
119.07049	3.2
119.08525	25.5
127.03879	0.9
134.99586	1.8
135.08017	52.1
151.49347	0.8
161.01151	1.4
190.08609	0.9
191.40538	0.8
220.14877	0.8
254.10172	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1794
Annotation	13-Hydroxycapsidiol
Peak:m/z	Relative Intensity
53.03892	1.7
55.05446	7.6
57.03352	1.6
59.78059	1.3
67.05424	17.3
69.03346	7.8
69.06979	2.9
71.04899	2.1
79.05408	11.3
81.06976	37.1
83.04894	5.7
83.08553	1.5
91.05399	7.2
93.06983	20.9
93.53253	1.1
95.04908	2.4
95.08521	9.9
96.87003	1.2
97.06463	8.7
105.06984	24.8
107.08535	17.8
109.06466	16.8
109.10117	6.1
111.08044	8.5
117.06999	2.1
119.08540	18.8
121.06448	12.3
121.10120	14.0
123.08031	16.6
125.09576	1.7
129.06975	2.5
131.08533	6.6
133.10094	16.6
135.08011	18.2
135.11703	1.4
137.09595	1.7
140.12114	1.4
140.35538	1.6
142.07841	2.3
143.08533	6.6
144.09348	2.0
145.10143	5.1
146.07292	1.5
147.08055	3.2
147.11685	7.3
149.09555	2.5
150.21814	1.5
151.03992	1.4
156.46724	1.3
157.10127	8.6
159.11676	13.9
160.28531	1.6
161.09607	13.6
161.13162	2.0
163.11177	5.9
168.72029	1.5
173.09608	1.5
175.11154	17.7
175.14828	2.3
176.11974	2.1
177.12715	100.0
187.14784	1.5
189.12718	6.5
189.16394	2.2
199.14865	1.7
204.15083	11.2
205.01260	2.0
205.15764	9.1
217.15851	11.5
220.03679	1.9
223.02361	10.4
235.16890	99.2
253.07030	8.4
253.17949	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03903	5.8
54.53702	5.1
55.01800	13.7
55.05450	9.6
55.73800	4.5
56.57046	4.7
56.96493	36.7
57.03365	6.8
60.04464	44.9
61.02855	12.1
62.77355	4.8
67.05431	7.8
69.03341	26.8
69.07016	6.7
70.06502	51.8
71.01253	7.3
72.08057	12.7
73.02846	7.7
74.06010	8.3
75.04410	26.9
75.33840	5.7
78.74409	6.2
80.04944	7.8
81.03339	53.8
84.04462	6.5
84.08070	37.4
85.02841	29.4
86.09628	9.9
87.04387	6.6
89.02352	9.1
91.05407	13.0
94.06478	9.8
96.77057	6.0
97.02820	34.7
103.03891	30.4
103.05379	8.4
108.04416	12.3
110.94443	6.9
111.04398	24.8
116.98603	7.4
119.01828	10.7
120.08069	66.2
121.08442	24.1
122.06011	8.7
127.03913	32.9
128.98573	7.2
129.10229	7.8
132.08055	14.7
134.05984	10.1
134.09602	7.4
136.07608	8.4
137.02971	10.7
144.08078	8.0
146.06067	8.2
146.99606	11.9
148.07545	8.8
148.97337	6.7
159.02907	47.3
160.82855	6.6
162.05429	22.3
163.06270	7.7
164.07031	12.4
166.08551	10.3
172.07536	11.4
176.07014	7.7
188.92462	11.1
189.00612	9.8
190.08492	8.3
194.08032	7.5
206.08102	6.8
208.09666	9.1
219.04982	60.2
231.07045	8.6
237.33154	6.7
242.96313	6.1
254.10181	100.0
254.13779	11.0
255.06468	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01820	1.0
56.04965	0.8
56.96498	0.9
59.04929	0.9
60.04459	0.6
60.08094	55.9
61.02852	1.2
65.03871	7.8
69.02995	0.6
69.03345	3.0
70.02065	0.6
70.06507	4.4
72.08072	0.8
73.02813	1.0
74.05996	2.9
79.05402	0.7
81.03331	1.2
84.04414	0.7
84.08067	3.4
84.17712	0.6
85.02827	5.1
86.03185	0.7
91.05401	10.2
92.63510	0.7
93.03326	14.9
94.75838	0.6
95.04909	1.3
97.02821	1.2
98.05984	3.4
98.97521	1.5
103.05387	0.7
107.04927	0.9
110.03619	2.9
111.04386	41.2
116.98549	0.8
119.01672	0.8
119.04894	6.0
120.08045	1.4
121.06461	4.0
125.05950	53.8
125.06932	2.8
129.10173	0.7
134.03543	1.0
145.02817	0.8
149.05951	79.5
151.07532	0.8
153.05435	100.0
164.07068	0.7
166.05009	0.7
167.11797	1.2
177.05421	5.7
181.06418	0.8
195.06485	29.4
195.11235	11.6
195.45628	0.6
199.07510	3.1
254.10272	3.3
254.13799	26.0
254.16130	3.5
255.06477	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	254.1611
Annotation	CI 4
Peak:m/z	Relative Intensity
52.88065	0.5
53.03875	0.6
54.50003	0.6
55.01809	1.3
55.05441	2.5
56.04963	0.8
56.96492	4.2
57.03366	3.3
59.04902	1.2
60.08096	31.0
61.02843	3.1
65.03861	3.8
65.14684	0.5
65.92113	0.5
67.05412	0.6
69.03344	5.9
70.06133	1.0
70.06508	21.5
72.08068	0.8
73.02824	3.2
73.06473	4.6
74.05986	4.1
74.06792	3.3
81.03350	5.4
82.06484	1.1
83.04906	1.0
84.04424	1.2
84.08068	5.2
85.02821	19.5
86.03159	4.8
91.05389	6.8
93.03312	5.6
94.06524	0.8
95.04897	2.9
97.02811	6.6
97.07590	1.2
98.03132	1.0
98.05978	19.6
98.97504	8.1
99.04372	1.0
103.05371	0.8
106.06454	0.7
107.37685	0.7
108.04453	1.0
109.02838	1.5
110.01214	0.9
110.03664	0.6
110.07082	2.6
110.97502	1.0
111.03656	1.3
111.04385	22.7
112.07536	3.5
114.37366	0.6
115.03864	1.0
115.20248	0.7
116.07053	0.6
116.98567	6.7
116.99242	0.7
119.01806	1.0
119.04879	4.5
120.08052	9.0
121.06431	2.7
121.08383	8.1
122.09649	1.3
125.05936	28.6
125.07056	20.9
127.03829	5.2
128.04221	0.8
128.98544	2.9
129.10127	0.7
130.08592	1.4
134.99625	2.4
135.04315	0.7
136.07555	0.7
137.05959	0.7
140.07079	1.3
145.04907	2.4
146.06015	0.9
146.99620	1.5
148.07518	1.2
149.05956	40.9
153.05440	51.3
154.07347	0.8
158.99582	1.1
161.01181	0.8
163.06076	0.6
164.07039	1.0
166.05040	0.7
166.13367	0.9
167.11754	25.7
170.99536	0.9
176.07057	1.5
177.00729	1.3
177.05365	4.5
177.07684	0.7
188.07104	0.9
189.00624	1.1
194.08072	2.6
194.12906	7.4
195.06485	16.0
195.11250	100.0
199.07495	2.5
206.08115	0.9
218.08275	0.7
219.01663	1.2
231.08916	0.7
236.09076	2.6
237.02747	1.0
237.13364	2.7
254.10233	5.6
254.13741	13.0
254.16068	38.7
255.06471	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	254.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81593	2.5
55.01785	3.1
55.05451	32.7
55.53254	2.0
56.96507	3.3
57.07013	29.5
67.05417	10.6
69.06980	40.8
70.20883	2.3
71.08541	6.0
72.08040	3.4
77.59513	2.7
79.05394	5.2
81.03362	8.0
81.06959	4.1
83.04923	3.4
83.08543	25.9
86.05981	3.5
87.18284	2.6
91.05405	3.8
92.63786	2.9
93.06956	10.9
95.08546	8.8
97.10098	18.3
98.03151	2.4
100.07516	2.8
109.10092	3.8
111.08046	3.3
111.11681	3.5
114.09138	6.1
121.10157	2.6
123.02670	3.0
135.11647	2.5
137.02290	12.5
160.07478	2.8
163.06250	2.8
171.08020	2.8
171.52444	2.7
173.47629	2.6
181.06387	10.9
187.21260	2.8
198.28091	2.6
199.05896	2.7
199.07431	21.7
219.21158	3.4
227.06970	5.0
237.05307	2.4
254.10176	18.8
254.24799	30.8
255.06453	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64927	1.4
52.75384	1.3
55.01808	7.3
57.03373	27.1
65.03861	2.2
70.06503	3.6
75.04388	2.6
79.05372	1.8
84.25874	1.6
91.05398	25.8
92.96228	1.5
93.06963	7.5
95.04895	3.6
98.97562	2.3
103.05398	77.0
105.03301	2.0
105.06950	3.5
107.04901	2.7
109.06475	2.1
110.03600	38.9
111.04411	1.9
119.04901	21.8
120.05655	2.7
120.08040	6.9
121.06472	8.5
122.03598	3.2
123.04377	80.7
124.04401	1.8
124.05148	13.0
127.03905	1.8
131.04886	100.0
135.04379	2.3
137.02316	2.3
137.05948	49.1
138.06740	37.8
147.04381	2.1
149.05922	2.4
151.07526	10.4
163.07507	28.4
164.53387	1.5
166.06203	37.6
181.08557	15.3
255.06471	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	255.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03887	0.9
55.01806	2.6
56.18669	0.8
57.03372	25.9
75.04385	7.1
79.05395	1.8
91.05402	26.9
93.06995	9.2
95.04886	5.3
98.97494	2.2
103.05402	67.0
105.06951	2.5
107.04873	2.4
108.05657	1.1
109.06440	5.0
110.03606	30.4
116.98625	1.5
119.04903	19.8
120.05652	6.1
121.06433	9.8
122.03606	2.3
123.03471	2.2
123.04379	66.7
124.05186	14.3
131.04890	100.0
133.06461	1.4
135.04390	1.8
135.08025	1.5
137.05949	40.9
138.06740	45.5
148.05161	1.7
151.07510	10.8
163.07492	22.0
166.06209	36.7
175.07407	1.5
179.07022	2.6
181.08577	13.6
207.40056	1.3
255.06377	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1589
Annotation	Gliocladic acid
Peak:m/z	Relative Intensity
51.94029	1.4
53.03884	2.5
55.01805	7.9
55.05446	16.9
56.96498	23.3
57.03369	7.3
57.07002	3.6
62.94591	1.5
67.05082	2.2
67.05428	33.8
69.03001	2.5
69.03349	44.8
69.06989	13.7
71.04895	2.3
73.02827	6.4
73.58308	1.5
79.05399	22.3
81.03326	2.5
81.06973	100.0
83.04893	12.7
83.08532	3.0
85.02826	9.7
91.05404	27.5
92.10371	2.8
93.06963	33.1
95.04878	8.2
95.08527	41.1
96.11657	1.6
97.02840	7.5
97.06449	7.2
97.10094	7.2
98.72362	1.9
98.97507	8.7
99.04369	2.3
105.06978	40.8
107.08540	29.2
109.06470	4.1
109.10098	13.2
111.04410	6.1
113.02290	17.8
115.03899	26.9
116.98546	7.8
117.06953	11.3
119.01885	2.4
119.04890	2.0
119.08540	26.9
121.06448	2.4
121.10115	12.7
123.04336	1.9
123.07989	2.7
123.11651	67.3
125.05962	4.0
127.03872	11.6
128.06064	1.9
129.05415	19.8
129.06938	3.6
131.08525	31.9
132.95793	7.1
133.10097	20.8
134.99612	9.0
135.08000	2.5
135.11659	12.8
137.02251	6.0
137.05945	2.6
137.09590	2.5
143.08502	3.8
145.06514	2.0
145.10095	27.3
146.99677	3.1
147.07988	2.3
147.11655	29.4
149.02310	3.5
149.09601	3.7
149.13243	4.1
150.96881	20.4
155.08574	3.1
155.09792	1.9
156.09329	2.8
157.10138	4.2
158.10880	2.5
159.07988	3.1
159.11679	12.2
161.13182	13.3
162.99199	2.9
165.00670	7.1
165.12708	11.1
171.07980	2.6
171.11603	3.3
172.95235	2.1
173.09601	2.6
173.13208	26.6
175.11075	2.2
177.00650	2.8
179.10661	2.7
181.06367	2.1
182.09552	2.9
183.11716	2.0
189.12738	3.7
191.14406	2.7
191.97131	6.4
193.04974	2.5
194.56052	1.8
199.07506	10.5
201.12756	7.5
207.13751	3.3
208.99640	7.8
209.98184	3.3
219.13802	21.0
225.14790	2.8
237.14787	33.3
255.06435	39.3
255.15678	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	255.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	29.0
55.18362	0.9
56.47537	0.8
56.96499	8.0
57.06998	5.2
65.03839	1.3
67.05078	1.7
67.05427	49.7
69.06987	17.6
71.04888	1.7
72.23450	1.0
75.83860	1.0
79.05395	5.4
81.06969	53.8
83.08533	31.7
85.06458	4.0
91.05396	4.6
93.06952	10.7
95.08530	100.0
97.06466	4.2
97.10089	17.5
99.07986	1.2
105.06957	11.9
107.08551	7.3
109.10103	47.9
111.08031	2.1
116.27580	1.0
119.08517	7.1
121.10084	1.2
123.08018	1.5
123.11675	8.7
133.10094	6.2
135.11610	1.1
137.02309	1.9
137.09583	1.2
140.31464	1.0
145.10129	1.2
146.57823	1.1
147.11650	4.1
149.13177	1.8
151.14758	1.8
165.21866	1.0
175.14780	15.6
190.98668	1.1
193.15843	8.3
199.07504	4.2
208.99733	1.2
211.16866	2.3
228.19536	19.7
229.17935	1.8
255.06477	14.3
255.20673	7.7
255.29863	1.0
256.19019	17.8
277.22678	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0812
Annotation	Nicotinate riboside
Peak:m/z	Relative Intensity
54.67828	0.2
55.01814	3.8
56.04963	1.3
57.03370	6.8
59.04945	0.4
61.02845	1.9
62.05988	0.2
68.04955	0.6
69.03352	4.2
69.04465	0.4
70.06487	0.3
71.01279	1.8
73.02831	3.6
76.07536	0.3
78.03331	0.2
80.04941	2.4
81.04466	1.0
83.06017	5.5
84.04440	0.5
85.02829	4.4
86.05986	3.2
87.04363	0.4
96.04420	1.6
97.02824	1.4
97.07584	1.6
103.03870	0.5
106.02837	0.4
107.03169	0.3
109.03941	0.5
109.07571	1.2
110.07127	0.5
114.05481	7.6
115.03904	1.8
123.05499	8.1
124.03909	100.0
125.04263	0.3
127.04980	4.6
127.08638	2.0
130.04982	0.3
133.04941	1.5
137.02811	0.2
155.08121	19.1
243.18916	0.2
256.08047	0.3
256.12811	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	256.081
Annotation	Nicotinate riboside
Peak:m/z	Relative Intensity
55.01801	4.2
57.03375	5.5
61.02838	1.5
64.15482	0.8
69.03336	3.7
71.01278	0.9
73.02819	1.7
76.98769	0.6
79.98089	0.7
80.04914	1.7
80.77209	0.6
83.06013	3.8
83.54691	0.6
85.02834	4.0
86.05994	1.5
87.04375	0.8
96.04419	0.8
97.02751	1.1
109.03980	0.6
109.07597	0.8
114.05476	5.1
115.03856	1.6
121.80910	0.7
123.05539	5.0
124.03906	100.0
124.05830	3.6
127.04992	2.7
127.08591	1.4
131.99300	0.6
133.04907	3.2
142.01855	0.7
155.08133	12.7
161.20970	0.8
189.07332	0.7
256.12946	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03403	0.3
55.01808	3.7
56.04971	4.2
56.55801	0.2
57.03368	7.2
59.04924	0.9
61.02841	1.4
68.04936	0.9
69.03345	5.0
69.04459	1.3
69.06962	0.2
70.06507	1.0
71.00923	0.2
71.01263	2.2
72.08034	0.2
73.02829	3.4
80.04923	1.8
81.04460	2.9
83.05514	0.5
83.06017	14.7
84.08051	0.3
85.02821	4.6
86.05982	7.4
86.09618	0.5
87.04380	0.9
94.06510	0.2
96.04407	1.5
97.02818	1.3
97.07579	4.5
99.09138	0.9
100.03928	0.4
103.03857	0.3
109.03945	2.6
109.07587	3.8
110.07076	0.8
111.09132	0.4
114.05473	20.6
115.03859	1.4
124.03904	100.0
125.04176	0.4
127.04021	0.5
127.04985	14.6
127.08627	6.3
133.04912	2.3
148.84245	0.2
155.08116	51.0
186.07663	0.3
189.07127	0.2
252.67662	0.2
256.08499	0.3
256.12854	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	256.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10198	0.9
55.05439	1.1
56.96495	5.5
62.06009	5.3
67.02909	9.0
67.05424	1.8
69.06960	1.4
69.70717	1.0
81.06938	2.0
91.05371	1.3
98.97488	1.5
103.05409	1.1
104.30689	1.1
105.06919	1.6
113.03456	6.0
115.05410	1.6
116.98557	2.0
117.06993	1.4
118.06515	1.7
121.00736	1.2
121.06451	1.2
132.95804	3.8
134.99635	4.1
139.01810	4.9
143.07271	9.1
144.08060	100.0
146.05962	5.5
150.96866	18.3
155.06027	1.1
156.08022	1.5
165.06998	1.0
167.97131	1.1
172.95265	1.2
182.09598	1.8
183.09163	1.1
189.65634	0.9
191.97130	3.8
209.98247	1.9
229.03798	1.7
229.09793	2.2
232.96173	1.1
238.17957	1.5
254.93254	0.9
256.06714	4.9
256.11203	1.5
273.92514	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.2997
Annotation	N-Methyldioctylamine
Peak:m/z	Relative Intensity
53.19341	0.5
57.06772	0.6
57.07015	10.2
58.06540	3.5
60.08096	37.9
69.31991	0.4
71.08540	4.0
76.56001	0.4
85.10092	1.0
95.51540	0.4
99.50806	0.4
105.55402	0.5
116.60745	0.5
256.06796	0.9
256.29926	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03890	0.4
55.01807	2.7
55.05439	0.5
56.96485	1.8
57.03371	8.6
57.28907	0.4
58.65631	0.4
60.04435	0.4
68.33102	0.4
69.03349	0.7
69.06968	0.4
70.06510	4.0
71.04871	0.5
72.08067	0.7
75.04381	1.7
75.04778	0.4
79.05398	7.1
79.43875	0.4
81.06978	1.9
83.70628	0.4
84.08040	2.3
85.02798	0.8
86.09630	2.2
91.05403	0.9
93.06950	0.5
94.04118	0.9
95.04882	3.0
97.02788	0.6
98.97504	2.7
103.05421	3.7
105.00351	0.4
105.06969	41.3
107.04897	13.6
107.08540	0.6
108.05257	0.7
109.06450	1.7
110.07127	0.8
115.05433	0.7
116.98563	2.3
117.06946	1.0
121.06429	0.8
121.65984	0.4
122.03596	5.1
127.03870	4.3
128.73932	0.4
131.00117	0.7
131.04944	1.0
132.05661	0.5
133.06454	37.3
134.99571	0.6
135.04341	1.0
136.05128	0.5
137.05948	100.0
139.01825	0.9
146.99696	0.7
151.07408	0.5
161.01237	0.6
163.07466	3.4
165.09074	13.3
175.07484	2.9
177.09085	1.0
181.08562	0.6
183.10117	2.3
201.00752	0.9
203.02226	0.8
203.10683	0.6
221.03256	0.5
221.11790	0.6
229.35928	0.6
257.13815	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94426	16.0
55.08018	15.8
64.33327	21.3
65.19079	14.4
69.14275	13.6
80.77908	16.9
110.07137	24.9
126.24783	17.3
186.62874	16.3
258.07333	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70089	0.2
53.19825	0.3
56.04968	2.6
58.59919	0.2
59.38163	0.3
70.25623	0.3
84.04427	27.3
84.08064	100.0
91.85516	0.3
92.10887	0.3
101.10709	2.5
105.82612	0.4
111.09164	1.6
129.10199	57.6
130.04971	4.7
153.09499	0.3
167.11761	0.5
185.80428	0.3
195.11249	3.3
238.82863	0.3
240.13367	1.6
241.11852	0.6
258.14429	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	258.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06768	0.6
57.07012	10.7
58.06523	2.5
70.06503	2.1
71.08539	5.1
72.08067	42.9
83.82127	0.4
85.10096	2.2
88.07545	2.8
90.09117	28.6
92.34804	0.5
92.98102	0.5
93.37598	0.6
150.04869	0.5
214.25224	1.3
258.27856	100.0
259.28281	0.8
263.25879	0.6
271.17419	0.6
275.75726	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56620	1.5
51.61247	1.6
53.00246	2.0
53.03872	2.8
53.36123	1.6
55.01808	1.9
55.05449	4.7
56.04978	2.2
57.03376	40.4
59.04921	8.4
64.03954	1.8
69.03346	90.0
69.06995	3.4
69.22620	1.9
70.06507	39.7
72.08064	35.1
81.03329	14.3
83.01244	2.7
83.04876	2.8
84.04424	4.9
84.08069	14.6
85.02825	56.4
86.09616	21.6
87.04392	31.0
88.03914	3.9
91.05437	2.4
95.04910	4.2
97.02818	100.0
98.97510	2.9
99.04394	5.1
107.04895	2.6
109.02818	2.6
110.07091	27.8
111.04380	3.0
111.07439	3.3
115.03883	27.6
120.08090	5.0
123.04379	10.6
125.07080	2.4
127.03845	4.7
129.10193	5.4
133.04900	17.6
134.99571	2.2
135.04381	2.1
146.07587	2.1
156.07655	11.6
167.06970	9.0
169.04930	5.3
170.05775	7.5
171.70622	2.7
179.59877	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	259.115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	2.0
55.05440	6.2
56.04973	3.1
56.96499	23.2
57.03374	5.0
58.05974	2.1
66.98521	2.1
69.03340	11.7
69.06990	2.7
70.06512	13.5
72.08060	23.4
74.05979	3.1
74.83382	2.2
84.04433	4.3
84.08074	15.8
85.02819	10.4
85.08369	2.3
86.09628	10.8
89.04577	2.2
91.05460	2.4
92.10894	5.5
97.02814	17.9
98.97509	73.4
102.14532	2.3
113.08784	3.0
115.05400	3.5
116.98556	93.2
117.59177	2.6
119.01819	4.0
129.10220	13.3
134.99626	100.0
135.00616	5.3
137.02945	3.1
153.00661	29.9
158.01184	4.7
176.02289	4.3
177.00687	14.4
190.95253	4.3
191.07567	2.6
195.01727	17.4
213.00610	3.2
259.11404	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	259.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15372	4.1
55.05442	22.0
56.96507	70.2
57.07018	8.7
67.05425	40.3
69.03344	5.9
69.06963	9.1
71.08531	23.4
79.05401	32.4
81.06973	27.7
83.04877	6.2
85.06456	5.6
85.10098	8.6
91.05408	9.9
91.49461	4.3
92.10274	5.3
93.06971	37.5
95.08509	27.0
96.11321	4.2
97.02815	7.6
97.06449	5.1
98.97527	64.9
99.07990	12.0
100.14261	4.2
105.06937	5.9
107.08540	25.2
113.09595	9.0
116.98573	96.3
121.10053	22.8
130.35695	4.9
134.99635	100.0
136.48825	5.0
139.11188	22.3
142.03169	11.5
151.36087	4.5
153.00681	30.2
157.05138	4.7
163.14806	6.2
166.36520	5.2
172.94229	31.3
172.95486	5.7
176.02225	22.8
177.00668	5.1
190.95135	67.5
194.03285	5.8
205.15784	7.3
208.96362	9.2
213.96870	9.2
218.00020	4.7
223.16801	11.0
273.94757	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	260.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38824	0.9
53.02097	0.7
56.04959	4.3
57.03347	1.0
57.98339	0.7
59.32304	0.9
69.06976	4.5
70.06500	2.1
72.08054	5.7
78.66706	1.0
83.06028	9.5
84.04427	22.0
84.08068	100.0
85.02836	0.9
86.06029	0.9
86.09626	39.6
101.07051	3.6
114.35643	0.9
119.01810	1.1
129.10234	10.5
130.04950	9.5
130.08612	10.1
132.10179	1.9
143.11749	1.9
147.07620	6.1
147.11244	7.4
196.14427	1.4
197.12770	1.6
202.04750	0.9
219.02647	1.9
234.85591	0.9
242.14885	3.9
243.13399	1.8
243.16994	1.5
260.05206	5.3
260.16025	1.6
260.19635	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	260.1602
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
56.04969	7.8
63.65391	0.8
67.87424	0.8
69.06973	2.0
70.06469	0.8
83.05511	1.8
83.06020	63.4
84.04426	92.6
84.08075	1.3
86.09624	100.0
88.67007	0.9
98.97504	4.5
100.45692	0.8
101.07053	6.7
102.54908	0.9
103.98386	0.8
113.07038	1.1
116.98569	1.9
129.06509	3.2
132.10165	20.5
141.06549	1.7
157.13292	1.7
196.14375	6.7
197.12802	15.6
212.72002	0.9
225.12138	1.0
242.14937	35.6
243.13342	16.6
260.16022	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1965
Annotation	H-LYS-ILE-OH
Peak:m/z	Relative Intensity
52.96519	0.3
55.05444	1.7
56.04975	3.2
58.32078	0.4
61.23436	0.4
63.16219	0.3
67.05420	0.7
69.06983	1.9
72.08067	18.1
83.06026	1.6
84.04427	12.7
84.08065	100.0
85.02833	0.5
86.09624	28.3
98.97505	0.8
101.07079	0.5
101.10709	2.0
101.75490	0.4
102.05461	0.5
103.22225	0.4
108.85619	0.4
112.07550	1.5
116.98580	0.5
117.23833	0.3
119.01717	0.4
129.10196	5.2
130.04964	13.7
130.08598	2.7
132.10199	1.5
134.99612	0.7
141.99084	0.3
143.11777	4.8
144.10152	0.5
147.07613	8.1
147.11240	3.6
148.06052	0.5
164.92758	0.4
171.11263	1.5
197.12892	0.5
242.15103	0.5
243.13388	0.7
243.17027	3.2
260.16150	2.5
260.19675	8.5
278.05838	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36404	0.4
53.00234	0.7
53.10461	0.5
55.05437	1.3
56.96276	0.6
56.96497	9.8
57.06744	0.7
57.07006	17.1
58.06521	0.7
62.06001	0.7
64.37675	0.5
69.06960	0.7
70.06141	1.3
70.06506	24.5
71.08546	6.4
72.39784	0.6
85.10086	1.1
88.07544	31.3
98.97517	7.1
99.15185	0.7
102.09106	8.1
106.08597	11.1
116.98555	12.4
134.99591	10.0
153.00659	2.7
158.01241	1.1
158.99664	0.9
161.01161	0.7
172.94208	4.0
172.95383	1.4
176.10849	0.6
177.00674	4.3
189.00706	0.9
190.95114	10.3
191.12170	0.7
195.01740	1.6
195.42790	0.6
195.61432	0.6
198.22099	0.9
208.96332	1.3
213.96913	1.3
216.23209	0.9
242.24716	10.5
260.25766	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04969	7.1
56.96502	2.0
57.03385	2.0
66.04247	1.3
69.03338	7.2
69.06982	6.7
70.06519	1.6
81.03349	4.0
81.22501	1.3
83.06017	38.6
84.04427	100.0
84.06368	4.0
84.08055	9.0
85.02821	33.3
85.04755	8.7
86.03130	1.5
86.09623	86.1
87.09954	9.1
90.31300	1.9
97.02804	11.3
97.06947	1.5
98.97723	2.9
98.98391	81.0
100.02122	3.1
101.07018	2.5
102.05473	3.0
116.99432	2.8
127.03883	3.2
129.06583	9.3
132.10178	18.6
145.05048	2.5
190.76961	1.7
196.14354	3.2
197.12831	19.2
197.33295	1.5
198.13179	2.6
242.14915	13.4
243.13069	13.3
243.15314	9.5
244.13734	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	261.1443
Annotation	H-Leu-Glu-OH
Peak:m/z	Relative Intensity
54.60355	0.4
54.81348	0.4
55.05439	0.5
56.04969	2.4
56.96507	1.0
62.83630	0.4
63.85328	0.4
69.03361	2.1
69.06976	2.1
70.06498	2.2
72.08070	4.5
73.08382	0.6
81.03339	0.6
81.04452	1.1
84.04430	30.6
84.08088	4.0
85.02824	4.9
86.09628	100.0
87.09966	0.8
97.02834	0.7
98.97530	2.6
98.98408	2.8
102.05470	8.0
112.07539	4.1
116.98577	2.1
128.98598	0.5
129.06618	0.9
130.04968	6.8
130.08604	6.1
132.10156	6.8
134.99629	1.1
136.87770	0.5
143.11714	0.7
148.06020	9.7
161.01260	0.5
165.51430	0.5
177.00746	0.8
182.33287	0.4
197.12906	4.2
237.03011	0.6
242.02052	0.5
243.13370	3.5
261.05582	0.5
261.14420	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	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03890	2.5
55.05456	20.8
55.71855	2.6
57.07022	3.5
67.05429	86.2
69.06984	21.1
71.04891	3.1
79.05414	80.8
81.06977	85.0
81.91599	2.9
83.08534	17.3
85.06504	2.9
91.05408	50.7
93.06971	100.0
95.04884	12.7
95.08530	71.0
96.81921	2.9
97.06463	6.0
97.10117	2.7
99.08051	5.1
105.06970	36.7
107.08535	65.7
109.10108	24.1
111.08035	12.0
111.76089	2.9
117.06940	5.4
119.08549	32.8
121.10094	74.6
122.21750	3.7
131.08525	23.0
131.54367	2.7
133.10088	23.1
135.11658	45.7
145.10112	29.5
147.11694	19.0
149.13232	43.9
159.11705	23.5
161.13228	17.9
163.14818	40.5
173.13232	14.9
175.14742	3.9
177.16394	6.7
187.14804	5.5
191.32689	3.2
195.01967	3.2
201.16354	3.6
243.21039	46.3
257.36124	2.8
261.19513	5.1
261.22095	95.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
52.09870	2.7
52.73861	2.8
53.03889	3.2
54.81908	4.7
55.05451	26.4
57.07019	4.4
64.33600	3.8
67.05425	76.9
68.22005	3.5
69.06969	17.6
76.56422	4.1
76.81321	3.8
79.05399	83.6
81.06965	76.8
83.08526	8.8
91.05415	46.5
93.06965	100.0
95.04890	7.5
95.08537	60.8
97.10120	4.5
98.97537	3.7
99.08028	5.0
105.06945	29.4
107.08543	65.5
109.10097	23.9
117.06935	8.3
119.08498	20.3
121.09323	5.3
121.10102	76.7
123.11674	4.8
131.08505	19.5
133.00725	3.7
133.10080	16.7
135.11647	32.5
144.43871	3.6
145.10081	20.5
147.11633	14.9
149.13229	37.6
159.11708	14.4
161.13200	14.8
163.14769	44.9
173.13182	14.9
177.16309	7.4
181.41988	4.4
187.14784	4.5
219.01500	4.0
243.20973	37.4
248.80495	3.8
261.13040	5.5
261.22116	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	262.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	0.5
56.96501	2.0
57.03360	0.3
57.49008	0.2
66.44553	0.2
67.05412	0.4
68.30132	0.2
69.03333	0.5
69.06969	0.9
70.06503	1.3
79.05396	0.4
81.03327	0.5
81.06962	0.9
84.03445	0.2
84.08068	3.1
85.02805	0.4
85.64306	0.2
86.09618	0.6
87.04403	0.2
88.03891	0.3
91.05373	0.4
92.64630	0.3
93.06960	0.5
95.04893	0.5
95.08529	0.4
97.06443	0.3
98.97503	2.0
105.06953	0.6
107.08514	0.5
109.06439	0.5
109.10078	0.4
116.98569	2.1
117.06942	0.3
117.51199	0.3
119.01764	0.4
119.08492	0.2
120.08035	0.9
121.10092	0.3
127.51659	0.2
128.02290	0.3
128.98610	0.4
129.10210	0.4
133.10013	0.2
134.99707	0.7
137.09602	0.3
157.11963	0.3
158.99609	0.4
161.01131	0.4
165.72775	0.2
177.00626	0.6
190.06346	0.3
207.09077	0.3
210.06479	0.3
216.06712	0.9
217.07553	20.7
218.08327	1.3
219.07013	0.6
219.09116	11.3
234.10233	1.0
235.08601	22.9
244.08586	1.0
245.06998	0.4
262.09677	100.0
263.10049	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	3.7
55.01796	3.0
55.05438	9.3
56.04959	3.7
56.96495	3.7
57.03375	13.3
57.07003	3.6
59.57438	1.3
61.02861	20.6
67.55235	1.5
69.03341	57.2
69.06982	1.7
70.06495	9.1
71.04904	2.3
72.04416	4.1
72.08047	2.5
73.02815	8.8
73.06462	22.9
74.02346	7.4
75.09151	1.6
81.03319	14.1
82.05185	1.7
83.04880	3.2
84.04419	17.3
84.08052	2.7
85.02819	100.0
86.09611	18.7
87.04385	1.9
87.09929	6.4
91.03867	2.7
91.05381	1.5
96.04424	1.9
97.02819	64.6
98.05975	1.7
98.97499	6.9
98.98394	3.1
99.04364	8.9
100.02297	1.7
100.07536	7.7
109.02800	10.3
116.98537	4.0
117.07009	1.9
118.08580	2.2
124.07520	2.2
126.05450	4.0
127.03857	19.0
130.06476	12.7
131.08418	2.1
132.08038	30.7
132.10204	2.4
134.99565	2.3
142.06494	7.4
144.06494	4.1
144.08057	35.2
145.04950	15.2
145.10146	2.1
146.99623	2.7
147.05394	1.7
157.07639	2.0
159.09142	33.3
160.07457	2.0
162.07524	3.6
166.08623	8.7
170.05937	15.8
188.07120	2.4
190.87059	1.8
245.09163	18.4
262.12778	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	3.5
55.01814	3.2
55.05444	7.8
56.04984	2.4
56.96497	2.8
57.03362	14.6
57.07014	2.8
57.32335	1.4
57.34029	1.4
61.02847	10.8
62.92470	1.2
63.64525	1.2
65.91132	1.6
67.38364	1.2
69.03003	2.7
69.03348	48.0
69.06973	6.8
70.06498	11.0
71.04900	3.2
72.04418	7.0
72.08080	2.0
72.93696	2.2
73.02838	6.0
73.06466	19.8
74.49892	1.4
76.55936	1.9
81.03334	18.3
81.06971	2.3
82.16808	1.6
83.04903	7.1
84.04437	17.4
84.08060	6.5
85.02826	100.0
86.09624	31.9
87.04393	7.1
87.09954	3.1
91.03878	3.0
91.05419	2.4
92.66520	1.5
93.06979	6.3
97.02219	3.1
97.02821	62.0
97.06396	1.6
98.97504	6.9
98.98387	6.0
99.04381	7.0
100.07553	6.1
105.06982	3.5
109.02830	9.1
116.98565	3.9
117.06947	1.6
117.31884	1.4
119.08485	2.4
119.41353	1.4
124.07536	3.0
126.05484	3.1
127.03856	15.2
129.10201	1.8
131.08531	14.7
134.99622	9.7
142.74507	1.6
144.06540	10.7
145.04915	10.5
145.10078	9.7
149.09642	3.3
152.07042	2.5
161.02902	3.8
163.11096	1.9
166.08588	3.7
177.00679	3.5
191.10674	2.2
209.11723	3.8
229.53481	1.7
244.11768	3.0
262.10364	1.6
262.12805	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	262.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89917	1.7
54.81695	1.9
55.01814	15.2
55.05436	10.0
56.96502	25.0
57.03370	3.3
57.06999	12.6
62.87600	1.8
67.05427	26.3
69.06979	5.3
70.06497	16.4
71.04903	4.2
71.08531	9.2
78.52953	2.0
79.05420	22.0
81.06982	18.0
83.04900	49.1
83.08533	5.3
85.02815	10.6
85.06448	4.5
86.82323	2.1
88.07549	19.3
91.05368	4.3
93.06976	18.9
95.04892	3.6
95.08502	9.6
97.02805	8.8
97.06436	4.3
97.10107	3.6
98.97498	3.4
99.04419	3.7
104.99203	8.8
105.06966	3.8
107.04916	4.8
107.08530	16.4
109.10098	14.2
111.04389	94.9
111.08021	31.9
114.09109	2.9
116.98546	3.2
117.06945	4.3
118.08582	2.7
119.01894	3.4
119.08551	8.4
121.06361	3.3
121.10085	14.4
131.08501	5.0
132.10172	25.7
135.07982	2.7
135.11655	23.5
138.15794	2.1
145.02219	3.1
145.06432	2.5
145.10080	20.6
147.11650	2.3
149.09578	5.0
150.11209	15.5
151.02319	2.7
151.52655	9.8
153.12704	32.2
153.13857	3.1
161.02934	3.5
163.11136	49.5
165.52373	19.9
165.54155	2.3
172.53169	3.6
173.09544	9.2
173.53645	2.5
174.02576	4.1
180.04199	2.4
181.03256	3.3
181.12178	61.2
181.53740	20.0
181.55037	2.0
182.03828	9.3
187.05016	2.2
189.04720	2.6
191.10606	45.8
194.05855	11.1
195.55276	4.8
196.05614	2.2
203.06482	18.1
203.56642	3.2
209.11638	10.7
218.21074	5.1
227.12729	100.0
239.07564	4.5
245.13728	3.2
257.08667	2.8
262.23752	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61034	0.2
54.15676	0.3
56.04974	0.4
56.96498	0.6
57.03374	2.5
58.06531	0.6
59.04930	11.1
59.07310	1.1
60.04462	0.3
60.08094	5.5
69.03340	1.2
70.06508	0.4
72.08099	0.3
74.23932	0.3
77.92042	0.2
83.04903	0.4
83.95477	0.2
84.04414	3.6
84.08067	1.5
85.02826	100.0
85.04774	1.4
86.03135	0.3
86.05941	0.3
86.09641	2.7
87.09959	1.8
97.02831	1.2
98.62920	0.3
98.97511	0.6
99.56445	0.2
101.00824	0.4
103.03901	0.3
106.39568	0.3
110.07090	0.5
116.98582	0.3
119.01865	4.9
131.01871	2.1
132.10193	0.3
133.10490	0.6
137.02942	0.6
143.01888	1.5
144.10144	2.7
144.32431	0.3
145.04938	5.3
149.02954	0.3
161.01633	0.5
161.02922	6.6
163.63120	0.3
173.01527	0.3
173.02895	2.2
185.02901	0.3
185.08075	0.6
191.03922	1.1
198.13249	0.6
202.75883	0.3
203.04024	1.2
204.12352	0.3
220.31348	0.3
244.13725	1.6
262.16440	22.4
263.06015	0.7
263.16641	0.4
265.05927	0.3
279.90137	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04730	1.0
56.04974	21.4
57.06776	1.1
57.07012	18.7
58.06531	9.8
59.29272	0.9
60.04436	3.8
60.16648	0.8
68.04928	1.3
71.08530	4.1
74.05984	16.5
78.12787	0.8
78.94016	0.9
85.10064	1.4
86.05975	1.1
88.07549	85.8
102.65442	0.8
104.99216	1.2
118.08598	11.0
119.63997	0.8
122.08093	10.4
213.13492	0.8
214.21614	84.9
224.56725	0.9
244.22623	3.7
262.23694	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2373
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
54.81721	1.1
56.04965	0.9
57.07007	20.4
58.06520	4.3
58.94707	0.9
64.33350	1.0
70.06140	1.9
70.06506	45.1
71.08548	10.0
78.70996	0.9
79.69316	0.9
88.07547	54.3
89.10569	1.1
102.08481	1.5
102.09113	28.6
130.02870	1.0
132.10150	1.7
156.17377	1.6
174.97688	1.0
200.20047	84.3
244.22719	5.8
249.35031	1.3
262.23700	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82887	0.2
57.06738	0.6
57.07011	11.9
57.88803	0.2
58.06530	0.4
64.33469	0.3
70.06506	27.1
71.08544	7.7
77.65495	0.2
84.08054	2.0
86.09641	0.6
88.07552	27.0
102.09126	1.6
104.99229	0.3
106.08604	4.2
109.29932	0.3
114.09117	9.6
118.08595	3.4
130.08595	0.6
132.10168	33.6
150.11224	29.7
174.18471	0.3
180.91846	0.3
186.18428	2.3
200.20079	2.2
218.21120	9.6
221.06685	0.3
239.07677	1.2
257.08737	0.4
262.23709	100.0
263.24121	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45663	0.9
53.03878	2.2
55.01811	2.2
55.05450	11.5
56.04969	4.6
56.96500	5.4
57.63974	0.9
58.10879	1.0
60.04464	1.6
61.01079	2.0
65.03870	7.4
67.05428	16.0
69.03352	7.9
69.06993	8.4
70.06139	1.7
70.06512	40.0
71.04899	1.9
72.08066	1.4
73.98792	1.2
79.05403	13.5
81.06981	6.9
83.04900	44.8
84.04424	6.4
84.08058	10.3
85.02818	2.1
86.09627	23.3
86.10110	1.5
87.83542	1.1
91.05407	24.9
91.74006	1.0
92.10233	1.9
93.03343	6.1
93.06970	14.9
95.04905	20.0
95.08545	8.7
97.02840	4.1
97.06467	7.6
98.97527	7.4
103.05399	10.5
104.05298	1.4
105.06972	27.7
107.08537	38.6
109.06462	8.6
109.10105	9.9
109.28683	1.3
110.07140	12.1
111.04385	6.4
111.08054	1.6
114.37027	1.4
115.05397	2.5
116.06377	1.1
116.07045	48.2
116.98592	5.5
117.06998	4.7
119.01829	4.2
119.08542	23.2
120.08057	100.0
121.02814	6.5
121.06467	6.7
121.10104	1.2
123.08012	16.2
123.11595	1.2
125.09619	10.1
125.95287	1.5
126.22351	1.1
127.79173	1.2
128.06178	4.2
129.06976	6.0
129.10159	1.8
131.08527	10.7
133.06462	7.0
133.10094	7.2
134.99669	2.4
135.04317	1.4
135.08041	7.4
139.03845	4.2
141.06978	2.2
142.07729	7.8
143.08513	8.8
145.06470	2.0
145.10114	4.0
146.07239	2.0
146.99628	1.4
147.08067	10.7
149.09595	5.1
151.07562	2.2
153.09129	4.1
156.07668	2.4
156.09332	13.5
157.10109	4.8
159.08051	6.5
161.02946	5.1
161.09573	2.5
161.13295	3.9
165.09067	4.5
171.11710	11.3
173.09598	1.6
173.13229	2.1
175.07484	4.8
175.11162	2.0
177.00697	1.2
181.10051	2.1
184.08817	2.7
185.09538	2.6
189.12718	4.9
193.08635	1.4
199.11160	16.9
215.70724	1.2
217.12238	8.6
222.08250	2.0
227.10551	1.5
230.44423	1.1
245.11562	2.5
263.13739	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	263.1387
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
54.81683	0.3
59.38512	0.2
70.06502	36.4
72.81907	0.3
91.05386	1.1
93.06948	2.5
103.05398	7.7
103.61226	0.3
114.05489	0.3
116.07029	52.3
117.07356	0.3
120.08044	100.0
121.06633	0.3
121.08393	1.3
168.66437	0.3
206.95879	0.3
263.13837	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	263.1386
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
51.48716	0.2
70.06502	33.7
84.08055	0.6
86.09630	0.7
93.06953	2.1
98.97465	0.4
103.05390	7.5
116.07030	54.8
118.28216	0.3
120.08046	100.0
121.08377	0.8
129.27022	0.3
192.30489	0.3
215.49162	0.3
263.13815	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	263.2366
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.01810	1.4
55.05449	17.5
57.03360	2.3
57.06992	12.2
59.26826	1.8
64.33601	1.7
65.66590	1.7
67.05081	3.6
67.05425	81.6
69.06978	16.5
71.08546	2.6
74.03416	1.5
76.56606	1.5
79.05405	22.7
81.06970	100.0
83.04901	2.1
83.08533	11.8
85.10095	2.4
91.05410	18.5
92.10934	6.1
93.06976	18.7
95.08525	77.1
97.06450	3.4
97.10115	3.2
99.08023	4.1
104.99208	12.4
105.06958	11.2
105.30889	1.6
107.08549	13.4
109.10104	34.3
111.08002	5.5
119.01886	2.2
119.08503	10.9
121.10054	15.0
123.11646	10.6
133.10065	8.2
135.11598	7.3
137.13194	3.1
147.11664	3.6
149.13222	2.0
152.25983	1.6
161.02820	2.2
161.13200	7.4
163.14760	2.1
165.16360	3.3
175.14731	3.2
198.98860	6.7
245.22713	13.0
248.12294	2.8
263.14737	17.1
263.23596	36.9
284.06100	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2367
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.05446	15.1
57.07008	13.2
60.24852	2.0
67.05426	86.7
67.09577	2.2
69.06982	15.1
71.08541	2.8
73.78223	1.9
79.05415	16.8
81.06975	100.0
83.08541	12.7
84.91095	2.3
91.05419	17.7
92.10923	2.7
93.06964	23.9
95.08533	69.2
97.06491	5.5
97.10099	4.0
104.81161	2.2
104.99213	10.8
105.06991	11.0
107.08533	12.7
109.10101	32.6
119.08556	4.4
121.10086	8.8
123.11638	14.0
133.10110	13.1
135.11702	3.6
137.13223	2.6
147.11682	4.7
149.13165	2.6
151.14798	4.1
152.85350	2.2
156.18866	2.0
161.13220	10.1
162.78468	2.1
163.14751	2.8
165.16348	8.6
175.14659	3.8
198.98854	4.3
245.22690	16.8
263.23654	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	263.2366
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.05450	15.9
57.07019	8.8
64.72155	2.1
67.05075	4.0
67.05426	99.1
67.05783	4.8
69.06983	20.0
75.69771	2.0
79.05405	32.8
81.06505	4.8
81.06967	100.0
83.08538	14.0
91.05383	23.2
92.10333	3.4
93.06967	28.0
93.07483	3.0
95.04942	2.0
95.08526	93.7
97.06454	4.0
104.99207	15.7
105.06991	11.0
107.08524	14.6
109.10091	34.7
113.67464	2.3
119.08538	11.0
121.10102	14.2
123.11679	4.5
133.10086	11.8
135.11620	3.1
147.11693	4.9
149.13281	3.9
161.02946	3.0
161.13263	4.0
165.16315	3.2
175.14731	3.8
198.98911	3.0
245.22630	23.6
263.23657	32.0
268.63171	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	263.2366
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
54.81751	2.2
55.05457	17.2
57.07005	11.3
63.05566	1.9
67.05075	3.5
67.05429	95.0
67.05785	4.3
69.06993	17.0
69.91798	1.7
71.08543	3.4
71.38817	2.0
72.27187	2.5
79.05404	27.9
81.06972	100.0
83.08539	10.9
91.05385	17.9
93.06973	27.2
95.08533	81.0
97.06453	12.0
97.10074	4.1
99.08019	2.7
105.06989	9.8
107.08551	16.6
109.10113	31.6
111.08038	3.5
119.08533	10.2
121.10109	13.7
123.11652	15.8
133.10083	16.1
135.11702	9.1
137.13197	2.3
147.11644	10.3
149.13223	4.4
151.14798	4.6
159.72256	2.1
161.13208	8.7
163.14728	4.0
165.16359	2.5
175.14822	4.6
245.22614	29.0
263.23645	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	264.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60445	0.4
55.05436	0.8
56.96494	2.5
57.03366	0.5
67.05054	0.3
67.05418	0.8
68.31550	0.4
69.03342	1.9
69.06963	0.4
70.06505	1.9
79.05405	0.4
81.03327	0.5
81.06945	0.6
81.56783	0.3
83.04943	0.4
84.04419	0.7
84.08083	1.3
84.95931	0.3
85.02818	1.5
86.09614	1.5
86.23568	0.4
91.05373	0.7
93.06953	0.9
95.04892	0.9
95.08552	0.4
96.37536	0.4
97.02836	0.6
98.97498	3.0
103.05408	26.4
103.38323	0.4
103.72811	0.4
105.07011	0.5
107.08534	0.7
109.10066	0.4
113.18349	0.4
116.98582	3.0
120.08061	3.9
126.49866	0.3
127.21843	0.4
128.98560	0.5
131.04895	33.0
131.08469	0.4
134.99615	1.4
137.02342	0.7
138.98880	0.4
143.56689	0.4
146.99681	0.5
152.04138	0.4
158.99661	0.6
172.07521	1.5
174.92575	0.4
177.00693	0.9
200.07140	0.4
206.08342	3.7
207.09166	1.7
210.15671	0.4
217.07574	0.8
218.08337	2.3
219.09140	71.2
220.09903	3.8
221.10608	0.9
235.08627	3.8
247.08609	16.6
262.09695	18.8
262.12512	0.6
264.11264	100.0
265.11661	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38859	0.7
54.56454	0.7
56.96494	4.9
72.26767	0.7
72.55086	0.6
73.54824	0.6
83.08530	0.7
98.61228	0.7
98.97523	0.7
105.06987	1.1
119.08523	1.6
121.10077	2.9
124.15150	0.7
133.10129	2.1
134.99583	1.3
149.63805	0.6
156.71046	0.7
161.13249	1.2
175.14708	0.9
177.00655	0.9
187.11102	0.8
203.14281	29.1
213.96996	0.8
219.17400	100.0
264.23129	0.8
268.68195	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77428	0.5
53.00246	0.8
53.03891	1.6
54.17494	0.6
54.81366	0.8
55.01809	2.6
55.05440	1.3
55.62181	0.5
57.03096	1.0
57.03373	28.1
59.04934	6.5
61.02855	3.3
61.32357	0.7
64.02465	0.7
65.94445	0.6
66.71505	0.6
67.05434	1.5
69.03349	100.0
70.06533	1.4
71.04906	1.0
73.02835	3.2
75.04391	3.7
79.05431	1.1
81.03343	12.0
81.06940	0.8
83.01239	3.0
83.04904	4.1
84.08066	1.2
85.02826	59.5
86.09614	3.1
87.04393	37.5
91.03884	1.6
91.05405	3.1
95.04874	3.3
97.02823	52.8
97.06456	0.9
99.04402	8.2
101.02383	0.7
103.03880	1.0
105.06934	0.8
107.04923	0.8
109.06444	1.5
111.04391	4.9
113.02308	1.5
115.03875	30.1
117.05438	0.8
119.08554	3.2
120.08022	1.1
121.06462	1.1
122.07074	0.9
127.03872	13.1
131.03352	0.9
133.04924	21.0
135.04317	1.1
135.08028	1.3
137.05927	1.3
139.03886	3.5
143.03375	1.0
145.04953	4.7
145.10062	0.9
147.08034	1.1
149.04391	1.1
157.04947	5.3
159.07930	0.7
161.04457	1.1
163.03932	0.8
165.05531	1.0
169.75749	0.7
181.05000	1.3
183.11641	0.9
193.04842	0.8
199.05977	0.9
211.05988	1.7
217.07097	0.8
229.07019	6.6
247.08128	1.1
265.09277	0.9
265.14127	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01801	1.7
55.05445	1.0
55.81390	1.0
56.32473	0.8
57.03374	29.6
59.04924	4.3
61.02849	4.5
64.85902	1.0
66.12343	1.1
69.03348	100.0
71.01261	1.8
71.04906	2.3
73.02821	1.4
75.04398	1.5
81.03342	12.9
81.43941	1.1
83.01278	1.4
83.04905	1.5
85.02831	62.2
87.04390	37.3
92.10316	2.2
92.40349	1.1
97.02822	56.8
99.04378	6.0
101.02318	1.4
107.04892	2.0
109.02905	1.2
111.04400	1.8
115.03885	30.2
123.04405	1.4
127.03880	12.9
131.03381	1.4
133.04921	21.5
139.03899	2.8
141.52225	1.1
143.03386	1.2
145.04976	5.6
157.04939	4.8
157.61650	1.0
161.04489	1.5
171.39426	1.1
190.70828	1.1
199.06036	1.3
229.07108	8.5
255.25246	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1114
Annotation	Thiamine
Peak:m/z	Relative Intensity
52.01828	0.1
53.02592	0.0
54.03407	0.6
57.03375	0.0
65.03869	0.0
70.06507	0.0
73.80193	0.0
80.04923	1.6
81.04454	18.2
82.04770	0.1
84.08060	0.0
84.91122	0.1
85.00997	0.1
85.81976	0.0
86.06006	0.0
86.09634	0.1
95.06026	0.2
97.02829	0.0
98.00529	0.0
99.02538	0.0
104.07035	0.0
113.02899	1.2
114.03718	0.1
119.01820	0.0
121.92292	0.0
122.07098	100.0
122.21519	0.1
123.07462	0.6
126.03694	1.1
136.06129	0.3
144.04749	28.1
145.05046	0.1
162.76054	0.0
163.02716	0.1
265.11093	1.0
266.15778	0.0
270.69766	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	265.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68347	3.9
54.91877	3.1
61.02845	8.9
61.12192	3.5
69.03334	24.4
73.02826	4.5
81.03323	4.1
82.22417	3.4
85.02821	100.0
87.13815	4.2
88.27895	3.7
91.03859	4.6
92.63203	4.0
97.02800	24.9
109.02802	4.3
109.56417	3.5
127.03859	15.2
141.73785	3.2
145.04927	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	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
53.03888	4.3
55.01822	4.0
55.05450	20.9
56.96495	2.8
57.03362	2.0
57.07016	2.5
60.37558	1.7
60.54903	1.7
61.66253	1.8
62.96747	2.0
65.03854	4.7
66.84341	1.7
67.03340	1.8
67.05428	30.5
69.03352	41.2
69.06984	4.3
70.06509	3.9
71.04909	11.2
72.08064	20.0
75.07905	2.0
79.05418	24.1
81.03348	3.9
81.06985	24.7
83.04903	11.6
84.08057	4.3
85.02834	17.6
85.18517	2.1
86.09626	12.3
87.04400	1.9
91.05406	58.9
93.03325	8.3
93.06974	50.0
95.04899	41.6
95.08534	18.1
97.02838	10.0
97.06467	8.4
98.97515	8.9
103.05421	5.1
105.06976	76.3
107.04904	9.5
107.08557	25.4
109.02832	10.0
109.06461	27.8
109.10091	5.3
111.04400	28.0
111.08016	11.7
113.05958	16.2
115.05423	10.3
116.06188	4.9
117.06956	26.0
119.08537	100.0
120.08059	4.7
121.02845	11.6
121.06451	53.9
121.10126	11.1
123.04412	3.2
123.08028	27.3
128.06206	14.1
129.06978	20.8
129.10121	3.6
130.07790	10.6
131.08534	56.5
132.05650	2.6
133.06433	11.4
133.10112	19.8
135.08023	68.9
137.05945	3.1
137.09627	9.7
139.07523	3.3
141.06973	11.4
142.07680	15.1
143.08536	21.8
144.05742	3.8
144.09314	14.4
145.06502	16.4
145.10086	29.3
146.07265	3.8
147.08041	38.5
147.11670	16.0
149.05989	4.4
149.09595	16.8
151.07552	3.4
153.06934	2.9
154.07794	2.8
155.08501	10.6
156.09367	8.7
157.06465	8.0
157.10114	17.3
158.07237	24.6
158.10883	3.9
159.08023	41.0
159.09230	2.9
159.11658	38.4
160.08858	3.0
161.05914	2.9
161.09608	30.4
163.07664	2.8
165.09117	17.7
168.09322	9.8
169.10098	3.4
171.08023	10.1
171.11613	9.6
172.08815	30.6
173.09572	15.1
173.13235	13.0
175.07518	50.9
175.11148	23.9
177.09120	10.5
181.06400	3.4
181.27486	2.4
183.11702	5.1
185.09644	5.1
187.07608	3.0
187.11127	20.2
189.09062	4.0
189.12761	4.5
193.08537	8.8
193.10135	2.9
196.08844	10.5
199.11166	9.9
201.12671	20.4
203.10635	25.8
205.08603	4.5
205.12196	2.8
211.11136	12.5
217.12198	14.4
219.13800	8.5
223.45195	2.2
229.12218	14.0
235.13275	3.0
247.13217	30.2
258.42593	2.3
265.14261	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	265.1431
Annotation	CHEBI:69731
Peak:m/z	Relative Intensity
50.64938	5.4
53.03880	4.7
55.01807	6.9
55.05443	8.9
55.69968	5.1
56.96500	58.1
57.03382	5.7
57.06997	10.5
65.03841	6.8
67.05424	10.8
69.03348	44.5
69.07000	7.4
70.06506	24.8
71.04895	7.1
78.37524	4.8
79.05402	30.2
81.03349	6.1
81.06971	31.6
83.04892	40.4
85.02821	91.0
88.07557	7.9
91.05407	38.4
93.06986	41.2
95.04865	19.9
95.08514	9.0
97.02840	23.3
98.97466	7.5
102.09126	6.5
105.06981	55.3
107.08520	69.7
109.02821	12.8
109.06445	26.8
111.04401	9.5
116.98543	10.8
117.06974	30.9
119.08521	34.9
121.06460	59.5
121.10091	9.1
122.07143	9.9
122.24098	5.4
123.08007	6.3
127.03889	7.4
131.08508	49.4
133.10121	24.8
134.99609	10.6
135.08022	99.3
142.04515	7.4
143.08572	9.9
144.09335	23.2
145.04941	8.7
145.06480	14.0
145.10077	22.0
147.07976	11.4
149.06001	8.0
149.09587	21.9
158.10898	23.2
159.11650	42.2
163.07535	37.7
163.11107	11.4
171.08041	8.2
172.08766	29.3
173.09592	30.0
173.13239	47.2
186.10347	33.0
187.11150	100.0
191.06947	11.3
200.19977	10.1
201.00581	8.4
201.12718	57.7
202.20697	36.7
205.12228	21.3
227.75891	5.9
229.12210	70.2
247.13216	44.3
264.24277	44.9
265.18652	6.3
265.24570	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	265.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53731	2.2
53.68620	2.5
55.01816	3.4
55.05436	5.6
58.89335	2.5
62.63182	2.4
63.39641	2.7
64.79863	2.6
67.05417	19.1
68.05900	2.5
69.03340	21.8
69.06995	5.5
70.06528	5.2
71.04915	6.6
76.00286	3.2
79.05399	20.9
81.06953	14.8
84.08067	6.0
85.02855	4.6
86.09647	6.2
91.04911	4.0
91.05405	44.2
93.06970	26.9
95.04890	32.2
95.08508	14.4
97.02810	3.5
97.06439	6.1
99.04361	4.7
103.05412	12.1
105.06969	55.8
105.51099	3.3
107.08518	13.0
109.06472	22.1
111.04383	18.9
111.08006	4.5
113.05944	7.1
114.37003	2.8
115.05409	3.0
117.06937	16.5
119.08530	63.2
120.08052	100.0
121.02806	3.6
121.06451	26.3
123.08010	13.8
128.06129	4.4
129.06932	14.6
130.07744	4.6
131.08507	29.1
132.01056	3.1
133.06473	6.3
133.10083	19.1
135.08012	42.7
137.09619	4.6
141.06958	5.4
142.07806	6.2
143.08525	12.6
144.09312	5.5
145.06470	5.0
145.10091	18.1
146.05972	3.5
147.08008	24.6
147.11618	5.1
153.06982	3.6
155.08540	4.3
157.10097	7.1
158.07338	10.8
159.07980	19.7
159.11674	22.4
161.09608	11.7
165.09059	6.0
172.08778	13.5
173.09528	12.4
173.13239	6.4
174.06682	3.3
175.07466	29.0
175.11154	7.1
177.70668	3.4
183.11713	4.6
187.11121	15.4
193.08571	4.0
197.26141	3.3
201.12698	11.6
203.10640	12.0
211.11060	4.8
227.55824	3.3
229.12021	4.1
247.13213	15.9
265.12778	23.2
279.55725	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70453	3.9
53.03884	5.4
55.01813	7.1
55.05435	25.0
56.04967	8.0
56.82311	3.8
56.96492	8.2
57.03379	5.1
59.91994	3.5
60.04438	5.9
60.05579	4.3
61.01065	3.8
61.02842	4.4
63.42640	3.9
65.03866	7.3
67.05417	23.7
69.03342	51.0
69.06971	17.7
70.06504	67.2
71.04896	9.1
72.07723	4.2
72.08060	39.8
79.05405	25.9
81.03337	5.6
81.06972	23.5
83.04879	6.3
83.06032	5.0
83.08532	5.0
84.04414	26.1
84.08066	52.9
85.02824	67.1
86.09625	61.5
91.05391	76.1
93.04457	5.1
93.06965	38.3
94.54204	4.6
95.04894	56.2
95.08533	10.2
97.02815	29.1
97.06454	7.5
98.97509	29.7
103.05367	7.1
103.88324	4.5
105.06970	77.1
107.04899	5.0
107.08533	7.8
109.06464	25.8
110.07123	45.7
111.04378	22.2
111.08054	7.6
113.05974	6.9
114.24357	4.0
116.98579	21.2
117.06960	30.4
118.06475	21.0
119.04886	5.3
119.08527	100.0
120.08064	63.8
121.02789	6.1
121.06477	45.2
121.10107	5.6
122.07105	11.2
123.08024	27.0
127.03858	19.5
128.06197	9.3
129.06960	18.7
129.10201	27.8
130.07762	7.5
131.08531	59.0
132.08037	7.8
132.97786	4.6
133.06464	8.4
133.10092	27.6
134.99634	11.6
135.08025	60.4
137.05945	90.8
137.09621	6.7
137.37723	5.3
138.06288	5.8
139.38264	4.6
141.06998	8.4
142.07755	19.3
143.08482	10.7
143.11855	5.6
144.08124	5.9
144.09338	7.0
145.04907	10.1
145.06514	8.3
145.10089	40.9
146.06015	33.8
147.07980	41.8
147.11577	7.2
153.06978	6.9
155.08499	10.0
156.07939	10.5
156.09267	6.4
157.10147	6.6
158.07256	10.6
159.08015	36.3
159.11647	26.8
161.09576	32.0
165.09076	11.2
168.08020	7.2
168.09300	8.9
169.10033	6.1
170.05981	4.6
171.07985	6.3
171.11647	5.1
172.08815	28.4
173.09511	21.5
173.13164	10.0
174.06766	5.9
175.07509	42.4
175.11224	8.5
183.11580	8.2
187.07513	5.2
187.11221	11.7
188.07014	20.6
189.09016	5.6
201.00568	8.4
201.12766	18.7
203.10629	19.4
211.11140	7.7
219.01779	4.9
229.09694	8.2
229.12094	17.1
247.13243	23.1
265.10327	9.1
265.14426	40.3
283.89374	4.6
289.80115	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	265.1439
Annotation	11,13-Dehydrocarolenalin
Peak:m/z	Relative Intensity
53.00250	1.4
53.03875	3.0
55.01796	2.1
55.05433	10.7
56.96503	11.5
57.03353	1.6
57.07005	1.4
61.02854	2.0
65.03825	2.2
67.05424	13.4
69.03344	16.8
69.06979	4.0
70.06514	1.8
72.08057	25.1
79.05412	19.2
81.03308	1.7
81.06976	15.6
83.04893	7.1
85.02824	18.1
87.04399	3.1
91.05396	33.0
93.06975	21.5
95.04895	49.9
95.08519	8.7
97.02803	7.0
97.06435	2.4
98.97498	7.2
99.04376	2.3
103.05392	3.5
105.06966	63.0
107.04896	3.2
107.08513	11.4
109.02827	3.0
109.06435	11.0
109.10112	2.3
110.07081	1.8
111.04385	51.5
114.71210	1.8
116.98531	6.6
117.06999	19.2
119.04937	1.8
119.08529	43.6
120.08047	8.9
121.06463	21.2
121.10076	8.7
123.04338	1.7
123.07990	6.0
128.06157	9.7
129.06995	11.6
130.07741	9.6
131.08514	43.6
132.93446	1.5
133.02826	2.3
133.06474	32.0
133.10095	9.1
134.99615	2.2
135.07991	10.0
141.06955	10.2
142.07733	4.0
143.08537	13.2
144.05659	2.9
144.09280	8.2
145.04977	2.6
145.06458	13.8
145.10110	25.1
146.07202	3.3
147.08018	52.1
147.94711	1.7
149.05989	2.0
149.09584	3.9
153.06946	2.7
154.07724	2.2
155.08511	6.5
155.10631	6.4
157.06473	2.4
157.10066	8.1
158.07222	21.6
159.08017	36.6
159.11620	29.2
161.05948	1.6
161.09592	15.8
163.02666	2.5
163.07486	2.7
168.09325	7.1
169.10013	3.0
171.07988	6.5
171.11678	1.8
172.08826	17.9
173.09570	2.9
173.13226	6.9
175.07501	53.0
175.11157	6.1
181.06407	2.4
183.11626	9.8
187.11125	16.1
189.09096	10.7
191.07121	1.6
193.04895	10.1
193.08585	36.6
196.08789	6.3
199.06352	2.3
199.11111	3.5
201.12672	7.4
202.10663	2.1
205.12170	2.5
211.11090	8.9
217.07341	2.3
217.12126	2.4
229.12212	6.7
245.52571	1.8
247.13205	10.0
265.14270	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1544
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
53.23040	0.4
55.05182	0.7
55.05446	15.6
57.05753	1.7
58.77322	0.4
72.08066	100.0
89.03840	0.8
89.10697	0.8
91.05416	0.5
103.05434	0.5
105.06933	0.6
107.04896	0.4
117.03318	6.9
119.08566	0.8
120.08050	17.9
145.02823	18.6
148.33678	0.4
149.05956	2.3
166.08604	5.5
177.05429	18.8
248.12787	0.6
265.15451	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	265.2523
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
53.00232	2.4
54.04320	2.1
55.05454	79.8
55.23154	2.1
57.03360	4.4
57.07014	23.7
64.76655	2.2
67.05122	3.7
67.05431	61.5
68.95077	2.4
69.03329	2.6
69.06985	100.0
71.04914	2.7
71.08533	5.6
76.03426	2.4
76.13618	2.6
79.05412	36.5
81.06981	70.2
83.08545	48.7
85.06441	3.0
85.10085	5.0
87.50414	2.7
93.06975	41.7
95.08536	61.7
97.06456	15.5
97.10111	35.0
99.07983	2.9
107.08527	20.9
108.38828	2.9
109.10104	24.4
111.08044	11.8
111.11623	10.8
121.10101	42.4
122.07128	5.7
123.11694	4.2
135.11661	26.7
149.13252	12.4
247.24129	23.2
265.25226	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2521
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
55.05449	91.3
57.06995	27.9
67.05423	68.8
69.03326	6.9
69.06985	100.0
71.04899	4.5
71.08529	8.2
79.05389	31.0
81.06969	68.8
83.08533	59.0
85.02804	14.5
91.05408	5.3
93.06976	44.5
95.08534	73.6
97.06413	8.1
97.10095	27.9
107.08494	19.1
109.10095	33.0
111.08022	8.2
120.83051	3.4
121.10078	38.1
122.07049	4.5
123.11697	4.5
124.88379	3.9
132.08092	4.1
135.11618	29.3
137.13205	3.7
145.08139	3.9
149.13255	5.7
172.95187	4.9
178.34769	4.0
178.87112	3.5
246.99121	3.9
247.24123	24.6
256.95053	3.9
265.25186	77.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2523
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
54.81572	3.2
55.05452	90.3
57.03375	4.9
57.07011	33.8
57.31990	3.3
67.05431	74.4
69.06992	100.0
71.04925	5.7
71.08538	14.9
79.05396	37.6
81.06967	66.7
83.08546	69.5
85.02825	15.0
93.06975	43.8
95.08543	63.5
97.06493	6.8
97.10097	35.1
99.08009	3.9
103.35313	3.5
107.08523	26.8
109.10126	33.8
111.08054	18.1
111.11604	5.3
120.33901	4.4
121.10108	38.4
123.11649	6.9
135.11681	38.8
149.13258	9.1
160.41605	3.8
181.76050	4.4
183.50302	4.2
186.77719	3.9
229.67397	3.5
247.24176	21.9
265.25195	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2523
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
50.75633	2.7
55.05450	88.2
57.07016	31.3
57.07244	3.3
59.47631	2.8
63.20127	3.0
67.05424	71.8
67.70542	3.2
69.06988	100.0
71.08551	13.4
79.05405	46.8
81.06972	93.0
83.08541	61.8
85.02805	4.3
85.06482	3.6
93.06971	51.0
95.08535	74.7
97.06447	18.6
97.10114	29.0
103.35500	3.4
107.08540	27.4
109.10089	27.7
111.08011	13.8
111.11628	12.7
115.14413	3.1
121.10104	50.2
122.07096	3.3
123.11652	5.8
135.11653	38.2
149.13206	12.0
170.43132	3.2
178.87752	3.4
203.07558	3.3
210.39076	3.3
214.05580	2.9
247.24178	26.5
265.25165	73.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2523
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
55.05446	81.5
55.09484	4.5
57.07022	30.8
57.85707	4.7
67.05423	53.5
69.06985	100.0
71.08553	5.3
77.31490	4.7
79.05424	34.3
81.06960	72.8
83.08537	54.6
85.02837	6.8
87.97021	4.8
93.06967	47.6
95.08538	61.2
97.06474	8.8
97.09536	4.9
97.10113	35.2
107.08523	37.8
109.10123	30.2
121.10117	46.8
135.11700	35.0
149.13264	8.6
247.24165	22.3
265.25183	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48516	0.5
56.96516	0.5
59.87332	0.5
64.33222	0.6
68.15545	0.5
81.43137	0.6
86.39279	0.5
92.10334	1.0
92.10835	0.9
101.00838	0.9
119.01875	20.1
134.99814	0.7
137.02948	9.9
153.00935	1.1
158.99805	1.0
177.00919	42.0
178.01102	0.8
195.01967	1.4
201.00780	2.9
201.02534	2.1
217.04082	4.0
219.01947	46.2
220.02109	0.8
225.00827	0.9
243.01979	3.5
261.03000	100.0
262.03110	1.2
279.31378	0.6
284.04578	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	0.5
57.03368	1.2
58.06546	0.7
59.04938	0.7
60.08096	9.7
61.02858	1.2
63.05325	0.5
69.03350	7.6
71.04904	1.0
73.02835	6.8
73.41047	0.4
74.48138	0.5
81.03335	2.8
85.02825	7.1
87.04396	13.4
89.36678	0.5
97.02834	3.1
99.04398	4.7
103.03862	0.7
104.10680	77.9
109.02782	0.9
122.97520	0.5
127.03871	2.1
129.91914	0.5
134.98827	0.6
137.63879	0.5
186.90295	0.5
266.15930	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15906	1.0
53.03888	1.1
55.01800	5.3
55.05452	2.5
56.09731	1.0
57.03364	7.4
57.07000	5.5
60.04453	2.5
61.02857	13.4
67.05428	5.4
69.03061	1.4
69.03355	23.3
69.06988	100.0
70.06511	12.2
71.04895	3.0
71.08522	2.2
72.08070	9.8
73.02828	5.9
74.06022	2.0
79.05420	1.9
81.03355	8.8
81.06966	1.8
84.04411	3.0
84.08083	14.2
85.02831	90.5
86.09634	13.5
87.04414	2.0
88.03938	1.5
91.03874	6.7
91.05404	8.8
92.05743	2.5
93.06968	2.8
94.07312	1.8
95.04891	6.3
97.02825	18.6
98.97516	2.1
99.04373	6.4
103.05417	5.5
104.10691	2.5
105.06987	5.9
106.07269	1.7
107.08576	1.2
109.02853	10.7
110.07074	7.0
111.04393	1.5
116.98569	1.9
118.07317	1.2
119.08537	5.3
120.04440	6.7
120.08073	38.6
120.08887	7.6
121.06431	5.1
121.08400	28.8
122.06876	1.9
127.03880	20.0
129.10199	6.6
131.08476	1.9
132.08917	1.7
134.99458	1.3
135.08005	2.8
136.08400	1.5
139.03880	1.9
145.04948	34.9
146.10394	2.0
147.08051	2.7
156.07668	1.6
159.07700	1.8
160.08234	1.6
160.11989	2.3
163.05995	14.9
175.07501	2.7
176.07858	1.9
176.11676	1.4
187.10899	1.3
188.11458	1.6
191.34688	1.4
204.10925	1.7
234.76823	1.5
266.13187	12.9
266.15808	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	266.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07005	1.4
60.78573	0.9
63.50658	1.0
73.38451	1.0
89.62780	1.0
116.98556	1.3
122.16409	1.1
167.61227	1.2
201.00693	4.4
215.58846	1.1
219.01723	1.2
247.24339	1.3
266.17212	100.0
267.17429	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05428	0.5
55.59378	0.3
56.04986	0.3
56.96489	1.4
57.03359	0.3
57.07000	1.6
66.54635	0.3
66.94173	0.3
67.05428	0.6
69.03341	0.6
69.06964	0.6
70.06503	3.4
71.04884	0.3
71.08520	0.5
72.08050	0.8
74.93487	0.3
79.05402	1.1
81.06948	0.6
84.08062	0.8
84.60090	0.3
85.02822	1.3
85.10111	0.4
86.09605	1.8
91.05401	1.4
93.06951	1.5
95.04894	0.7
95.08534	1.5
98.97518	3.3
105.03326	0.5
105.06953	0.8
107.04926	0.5
107.08502	0.7
109.06425	0.6
110.07108	0.4
112.08578	0.3
112.59728	0.3
114.16579	0.3
116.98551	3.4
119.08543	0.6
120.08056	1.7
121.06511	0.3
122.03587	2.6
129.10211	0.4
130.06456	0.5
131.08525	0.6
133.02812	43.9
133.10051	0.5
134.99638	2.5
135.49437	0.3
136.06187	1.3
137.05936	11.0
145.10107	0.3
149.05951	3.1
149.09575	0.6
150.03114	2.7
158.99635	0.7
161.02341	0.6
161.09576	0.4
165.05429	4.7
177.00659	2.2
178.02557	24.8
181.19089	0.3
189.78139	0.4
193.04919	100.0
194.05290	0.6
213.72833	0.4
219.01794	0.6
252.45639	0.3
266.15909	0.5
267.08560	18.5
267.15851	0.4
288.78348	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1334
Annotation	H-Thr-Phe-OH
Peak:m/z	Relative Intensity
51.89775	0.5
56.04971	25.1
57.03372	4.4
57.96153	0.5
58.06525	3.6
67.44713	0.5
74.05985	100.0
75.04362	0.9
84.04421	3.2
91.05399	1.3
100.74224	0.6
101.07111	1.0
103.05420	4.3
107.04898	0.7
120.08047	72.5
131.04884	1.0
136.06104	0.8
149.05922	1.2
158.09590	1.2
166.08586	24.3
188.07054	0.6
212.56110	0.7
221.12773	3.6
249.12260	2.3
267.13379	8.0
273.80942	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1335
Annotation	Phe-Thr
Peak:m/z	Relative Intensity
55.01807	1.8
56.04977	5.8
56.96491	7.2
57.03360	3.8
57.06997	4.5
58.06521	1.3
60.06876	0.8
61.02839	0.9
69.03348	5.8
69.06982	3.2
70.06503	4.7
71.04897	3.4
71.08537	1.7
72.93707	0.9
73.02822	1.0
74.05590	1.3
74.05984	22.1
79.05438	1.0
81.03329	1.7
81.06984	1.3
84.04424	60.3
84.08063	1.0
85.02827	15.9
86.09605	1.5
86.82412	0.9
87.04400	1.2
87.08013	1.8
88.03930	1.0
88.07558	6.4
91.05382	3.0
93.06982	1.1
95.04875	0.9
97.02810	4.1
98.97514	4.1
99.04385	1.5
102.05505	1.6
103.05402	15.1
104.10686	1.6
107.04890	0.8
109.02811	1.4
113.96357	1.3
115.73777	0.9
116.98579	4.8
117.07001	1.2
118.06459	1.2
119.01822	1.2
119.04920	1.1
120.04396	5.0
120.08051	100.0
121.06491	1.0
127.03883	1.8
128.02281	1.1
128.98589	1.2
130.04936	9.4
131.04874	0.9
131.97343	1.7
134.99611	3.7
136.06126	11.9
146.99643	1.7
166.08611	4.7
177.00645	1.2
179.07010	1.1
186.09064	2.0
189.00638	0.9
232.09618	9.9
237.02806	1.0
249.12297	10.9
261.02728	1.3
264.17441	0.8
266.15924	2.0
267.06015	0.9
267.13141	4.3
267.16077	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1742
Annotation	3-Hydroxy-4-(3-methyl-2-butenyl)bibenzyl
Peak:m/z	Relative Intensity
52.30907	4.2
53.40995	4.2
55.05437	6.9
56.75211	4.2
56.96502	61.0
57.03365	5.9
59.27548	3.8
65.63915	4.8
67.05408	6.0
69.06982	18.5
91.05398	8.2
92.10368	6.3
98.97495	21.2
105.06971	7.1
107.08549	73.3
110.97557	4.9
116.98541	6.3
119.08543	21.3
119.09398	5.0
123.03778	10.4
127.03860	6.2
128.98563	10.9
129.06903	6.9
130.65834	5.0
135.08002	65.4
136.06186	64.3
137.39748	4.6
141.07007	5.2
142.07724	11.0
145.04965	6.3
145.06421	11.3
146.99628	10.0
147.08078	9.1
152.89095	5.0
155.08508	6.5
157.10390	4.8
159.08015	11.7
161.01178	6.4
167.08516	10.6
169.05090	21.3
170.07286	8.7
173.09581	18.6
177.00734	6.6
178.05623	10.2
181.06467	6.7
183.07964	6.5
184.08771	5.3
185.09523	50.5
195.07953	8.2
196.08817	23.7
197.09628	49.6
198.10281	5.4
199.11182	11.1
209.09511	11.9
209.27463	5.0
210.10379	10.9
211.11156	94.5
212.11897	9.8
222.10298	6.9
223.11104	9.4
224.11963	8.4
225.12689	38.2
236.08760	6.9
237.12755	34.5
252.14958	10.8
267.17401	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01807	0.7
57.03372	1.5
61.02848	1.3
64.33532	0.8
65.00084	0.7
69.03337	1.6
70.06497	0.9
72.04412	0.8
73.02835	1.7
75.69776	0.6
79.05405	2.6
84.08057	1.0
85.02835	4.4
91.05402	15.7
97.02820	1.5
98.97501	1.8
103.03892	0.9
103.05399	13.5
105.06969	16.8
105.28175	0.7
107.04875	5.8
115.05447	1.3
117.05712	1.3
117.06973	2.6
118.06485	0.8
119.07286	9.4
120.08051	54.2
120.53137	0.8
129.06906	1.6
130.06502	5.6
131.04842	3.8
132.08046	21.4
133.06470	2.8
134.09612	7.1
136.06154	100.0
144.08075	14.6
151.03244	3.1
158.09621	1.3
162.09076	13.9
166.08606	9.5
168.08034	7.1
179.02637	1.8
181.04263	4.4
186.09131	2.8
204.10193	4.3
208.09677	3.4
215.63202	0.9
217.44916	0.8
222.11208	28.8
232.09738	1.6
268.11984	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	269.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03873	7.6
55.01808	17.1
55.05447	9.2
56.96501	16.2
67.05421	44.6
69.03338	49.5
69.06989	11.5
70.06499	7.8
71.04944	7.3
72.62920	6.3
79.05408	29.0
81.06960	100.0
83.04878	7.9
83.08553	8.3
85.02795	10.1
91.05400	35.6
93.06968	34.5
95.08514	46.2
97.02863	7.6
98.97506	27.7
99.04415	7.9
105.06959	68.9
107.08537	46.1
109.06478	7.7
109.10091	15.6
116.98567	28.0
119.08528	40.2
121.10068	10.2
123.07968	9.3
123.11662	71.5
127.03871	10.5
129.05453	30.9
131.08527	31.8
133.10068	34.7
134.99590	13.6
135.08031	8.5
136.06184	91.0
137.06598	19.2
143.07117	8.4
145.10132	41.4
147.11659	16.2
159.11653	15.5
161.13223	43.3
173.13246	27.8
178.60597	6.9
179.10703	6.7
180.07681	9.0
214.23878	8.7
217.52878	6.8
232.69582	8.5
237.14819	9.5
242.28632	6.6
251.16356	7.0
269.04044	8.2
269.08081	8.0
269.11020	11.6
269.13715	8.8
269.17288	7.1
287.11673	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	269.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95962	0.4
69.06986	0.6
71.04910	1.7
81.06969	0.5
96.11760	0.4
103.14246	0.4
104.99194	1.8
114.36832	0.6
129.06898	0.6
136.06155	1.1
137.04541	0.6
137.06517	2.0
142.07776	2.1
143.08549	0.5
152.06175	0.6
156.54485	0.4
170.07210	4.1
171.07967	0.7
172.08768	2.1
185.09584	100.0
193.10129	0.5
198.10359	1.9
199.11107	0.7
210.04562	0.5
213.12720	10.6
219.55577	0.6
221.09566	0.8
227.10788	0.5
228.23233	0.8
236.11732	1.8
249.12585	0.7
251.14265	3.7
269.15302	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	269.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15584	0.6
56.00420	0.6
56.96502	9.5
57.06986	0.8
62.85205	0.6
67.05443	0.8
69.03374	0.7
70.55946	0.6
71.04905	0.8
74.90148	0.6
80.42638	0.6
81.06995	0.8
91.05424	1.8
93.06989	1.1
95.08488	0.7
98.97511	3.6
104.99200	1.7
105.06979	1.8
106.36971	0.7
107.08548	8.8
108.08862	2.8
116.98569	4.1
118.45882	0.7
119.08508	1.1
123.03848	0.9
128.98593	1.1
129.06984	1.1
134.99628	4.7
135.08022	5.7
136.06165	4.2
136.08415	0.9
137.06496	1.5
141.06947	0.8
142.07745	1.1
145.10091	1.1
148.07536	1.4
170.07269	3.6
172.08890	1.1
183.08020	0.8
185.09575	100.0
198.10361	0.8
204.01762	0.9
213.12712	9.4
221.09625	0.9
227.10603	1.0
251.14293	3.8
269.15375	6.4
269.22549	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	0.6
57.07022	0.7
59.70670	0.4
67.05397	0.7
69.06944	0.6
70.59824	0.5
71.04868	1.0
73.20634	0.5
79.90746	0.6
80.84378	0.5
95.08512	1.0
104.99211	6.2
123.48444	0.5
129.37889	0.5
136.06151	1.1
137.04520	0.6
137.06540	1.0
142.07715	2.1
152.06252	0.6
170.07275	4.2
172.08797	2.4
183.08076	0.8
185.09572	100.0
209.09470	0.9
213.12703	9.6
221.09550	0.6
236.11836	0.7
251.14233	3.1
252.06903	0.6
269.15344	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	269.1604
Annotation	His Leu
Peak:m/z	Relative Intensity
56.04966	0.6
62.97638	0.2
81.04453	1.7
83.06020	10.9
86.09614	1.5
93.04456	7.8
95.06007	1.7
110.07107	100.0
111.07491	0.4
122.07108	1.1
133.83420	0.3
136.06120	0.3
138.06596	1.1
139.09747	0.3
145.09895	0.3
156.07631	5.6
178.13332	3.1
218.50717	0.3
223.15509	2.8
251.14987	3.4
269.12552	0.4
269.15973	8.1
270.16458	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1646
Annotation	Daimuron
Peak:m/z	Relative Intensity
55.05453	0.4
56.96502	5.6
57.03350	0.4
57.07004	0.3
65.03854	1.5
67.05414	0.6
69.06984	0.5
72.04430	17.2
79.05418	0.6
80.49277	0.3
81.06976	0.7
84.95957	0.4
87.38151	0.3
91.05405	100.0
92.05720	0.4
93.06972	0.6
95.08519	0.6
98.97501	1.6
101.07072	0.5
103.05418	0.5
104.99216	2.0
105.06960	2.7
107.08535	3.9
108.08876	0.9
110.27339	0.4
114.82965	0.3
114.86820	0.3
116.98590	0.8
119.08508	0.7
120.61155	0.3
123.03855	0.4
131.08630	0.5
132.42589	0.4
133.06401	0.4
134.99625	0.9
135.08032	3.3
136.06171	1.6
136.08383	0.8
136.11179	3.1
137.04591	0.4
137.06508	1.8
137.78145	0.3
143.08519	0.4
146.99704	0.7
147.11597	0.4
153.06834	0.3
153.54794	0.4
158.01271	0.4
165.07021	0.6
166.07661	1.2
174.48795	0.4
177.10260	0.5
179.08725	0.4
181.10098	3.2
185.09566	4.0
216.04327	0.4
221.03345	0.4
268.06369	0.4
269.16467	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	269.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23905	1.7
55.01802	2.9
55.05439	12.3
56.10363	1.8
56.96490	15.2
57.03368	2.7
57.06998	2.5
67.05140	1.9
67.05425	25.8
69.03347	51.6
69.06985	10.2
69.38283	2.1
71.04877	3.6
72.91145	2.2
74.04865	2.0
79.05418	17.3
81.06969	100.0
83.04881	9.7
83.08505	2.3
85.02812	5.4
87.04397	2.2
91.05395	25.6
93.06959	25.3
95.04879	3.6
95.08525	36.0
97.06449	3.4
98.97498	4.9
99.04380	4.9
105.06962	36.5
107.04908	3.9
107.08526	27.2
109.06487	4.7
109.10084	10.2
111.04385	2.6
115.03844	5.0
116.98552	11.2
117.06948	9.7
119.08504	28.8
121.06429	3.3
121.10099	13.7
123.11653	62.4
127.03836	12.5
129.05438	26.2
129.06911	3.8
131.08528	28.8
133.10098	20.7
134.99583	3.9
135.07962	3.0
135.11667	4.8
136.06171	11.3
137.05748	3.0
137.06604	3.7
143.08510	5.0
145.10066	21.0
147.11662	25.1
149.13223	3.7
155.08627	3.5
158.01257	2.6
159.11647	15.0
161.09596	3.6
161.13210	21.7
163.07521	3.5
171.11610	5.7
173.13255	19.5
180.07726	10.5
183.11572	3.4
189.12724	4.3
191.14302	3.1
201.12617	3.3
210.98885	2.7
213.07518	2.7
219.13733	9.4
237.14774	15.0
238.91753	2.9
251.16429	5.4
269.17355	5.4
269.22403	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	269.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07786	3.8
54.81556	4.3
55.01793	5.7
55.05454	29.8
56.96501	44.7
57.03366	24.6
57.06998	4.6
67.05430	64.8
69.06989	35.9
70.06462	3.5
79.05403	52.0
81.06969	100.0
81.13194	4.0
83.04892	8.2
83.08525	10.2
91.05399	42.2
92.11021	4.0
93.06969	73.9
95.04897	7.8
95.08533	35.8
97.06441	6.8
98.97504	9.3
103.05412	4.8
104.67430	3.8
105.06950	39.2
107.08546	44.6
109.10125	4.4
116.98538	16.6
117.06953	20.0
119.08551	19.3
121.10083	23.1
131.00125	5.2
131.08536	24.3
133.10115	16.3
134.99609	20.3
135.11694	6.7
136.06128	20.9
137.04652	4.0
137.06564	6.6
141.17918	4.1
145.10104	7.0
146.26694	4.9
146.99577	6.7
147.04333	9.4
147.11603	4.1
149.01201	6.4
149.13232	7.2
157.10132	6.6
158.01263	5.3
159.11656	22.7
164.51195	4.0
167.07323	4.2
177.12912	5.4
180.07773	32.8
185.13237	5.2
195.10144	8.0
197.10080	22.7
208.60902	5.6
213.16489	4.3
269.17554	30.6
269.22491	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00246	2.8
55.05451	25.3
56.96496	25.1
57.03375	2.9
64.70590	2.6
67.05431	24.9
67.26638	2.5
69.06986	100.0
79.05396	7.1
81.06971	13.7
83.08539	32.4
87.54208	2.5
91.05398	15.3
92.09936	2.5
92.62399	2.6
93.06958	4.2
95.08552	16.0
100.92681	3.0
104.30373	2.7
105.06973	22.3
107.08533	5.8
109.10123	22.0
115.05408	3.3
117.06952	5.8
118.96732	7.0
119.08531	14.0
121.06483	5.5
121.10096	6.5
123.11671	5.4
128.06155	3.5
129.06984	5.3
131.08522	12.3
132.05632	4.6
136.06166	14.9
137.06566	6.6
141.07008	4.8
141.98291	5.2
142.07762	10.8
143.08507	6.5
145.06419	10.6
145.10156	4.4
147.08046	45.1
155.08612	11.9
156.09326	6.7
157.10081	5.0
158.07283	18.1
159.08049	13.4
159.11644	5.5
161.09608	17.3
169.06442	6.2
171.07964	19.9
171.11650	4.7
172.08844	11.5
173.09589	40.7
175.11169	13.1
183.07974	5.5
184.08817	51.2
185.09575	69.2
187.11185	11.9
198.10410	11.8
199.11154	93.5
201.12730	12.2
211.08652	5.7
213.12772	37.9
225.10344	5.6
226.10976	4.7
227.14244	3.7
232.00046	3.4
239.08147	5.8
254.10384	3.3
269.18982	63.0
288.17337	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2261
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
52.51636	1.8
53.03888	3.4
54.82018	2.0
55.05447	21.8
56.96500	15.9
57.01648	1.7
57.03368	9.6
57.07002	2.5
65.03855	2.5
67.05424	30.2
69.06987	26.7
79.05415	27.7
81.06969	51.9
83.08530	12.6
83.19095	1.8
91.05408	33.3
93.06973	74.9
95.04902	3.7
95.08533	52.5
97.06454	3.7
97.10109	4.2
98.97508	3.0
105.06263	3.7
105.06973	100.0
107.08540	35.4
109.06454	2.5
109.10112	22.3
116.98538	4.5
117.06954	12.1
119.08538	49.4
121.10101	30.7
123.11652	19.3
129.06960	8.1
131.08533	41.6
133.10101	34.4
134.99571	7.5
135.11673	4.5
136.06131	4.9
137.04561	2.3
137.06516	4.0
137.59052	2.4
141.06953	2.0
142.07700	4.1
143.08557	20.4
145.10095	26.2
147.11655	18.2
149.13223	10.3
157.10098	21.0
159.11687	16.5
161.13168	15.9
163.14822	2.3
171.11641	12.1
173.13268	14.5
175.14795	21.4
185.13206	13.6
187.14734	3.8
189.16353	13.6
191.53612	2.0
199.14807	14.5
201.60057	2.4
211.14748	3.4
213.16299	23.4
227.17905	11.1
240.94652	2.0
241.19409	9.2
269.17633	7.7
269.22565	65.2
270.09619	2.3
286.45462	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.226
Annotation	Anhydrovitamin A1
Peak:m/z	Relative Intensity
55.01805	3.5
55.05446	10.1
56.96500	24.8
57.07008	4.7
57.70302	3.7
59.31591	4.4
60.15908	3.5
61.76418	3.4
67.05422	21.9
69.06984	22.7
72.79735	4.8
77.11221	4.0
79.05402	8.9
81.06960	46.3
84.63361	4.8
91.05399	27.7
93.06962	51.3
95.08529	44.5
98.97527	4.6
101.44945	4.7
104.19254	4.1
104.99190	9.2
105.06963	100.0
107.08539	35.6
109.10113	20.2
116.98534	10.6
117.06948	6.6
119.08521	54.0
120.00984	4.2
121.10098	29.3
123.08049	5.8
123.11677	18.1
129.06870	6.1
131.08524	58.7
133.10117	23.9
134.01123	5.2
134.99680	7.4
136.06110	18.1
137.06535	9.8
143.08534	25.6
145.10109	28.7
147.11644	11.4
149.09570	4.3
151.31099	4.4
155.08571	4.5
157.10095	17.7
158.01268	5.5
159.11636	21.0
161.13242	19.1
171.11546	9.5
173.13229	42.4
175.14775	23.1
185.09529	9.1
185.13147	24.3
189.16304	7.1
199.14795	6.1
213.16290	10.0
226.10977	8.4
227.17827	9.0
269.12857	6.1
269.22528	98.3
270.09360	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	270.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26209	2.1
62.00973	1.9
62.31146	2.1
63.81845	2.1
161.25731	2.2
228.09387	2.2
243.08240	3.4
270.09439	100.0
270.12369	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	270.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
63.25993	1.6
65.63885	1.6
108.82393	2.0
113.08317	1.9
136.06155	100.0
137.04758	3.9
137.06593	50.9
174.08418	1.9
177.03149	2.1
182.50946	2.1
185.04167	3.2
197.34911	1.8
243.08229	2.0
270.09384	90.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	2.0
55.01805	2.5
55.05447	7.0
57.03366	7.3
60.09662	0.4
61.02853	10.1
61.07996	0.4
63.07447	0.5
64.79919	0.4
69.03346	17.8
70.06516	3.6
70.32568	0.4
71.04894	2.3
72.08052	0.5
73.02817	4.1
73.06465	29.5
81.03341	8.7
84.04417	0.5
85.02824	100.0
85.76456	0.6
86.09602	0.9
87.04392	2.3
90.05500	0.5
91.03870	4.8
97.02821	22.5
98.97514	2.5
99.04368	3.8
108.83620	0.5
109.02810	7.7
110.07135	4.1
111.07519	0.5
115.03835	0.6
116.98542	0.7
127.03876	17.9
130.02904	0.4
134.99706	0.5
135.66061	0.5
136.06149	1.1
138.33665	0.5
145.04936	20.0
156.07747	0.6
163.05963	6.5
177.00650	0.5
190.30977	0.5
217.10667	0.8
253.12820	2.9
270.09424	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	270.2788
Annotation	Capsi-amide
Peak:m/z	Relative Intensity
50.38059	0.9
54.81686	1.0
55.05435	1.5
57.07010	13.0
58.02892	9.4
69.06981	1.1
71.08522	4.0
88.07555	6.6
102.09107	14.6
116.10698	7.9
130.12204	1.8
170.04500	1.0
172.09929	1.0
189.86282	1.2
270.27832	100.0
271.28091	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	271.071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00221	0.7
54.14996	0.6
55.01804	1.1
55.05454	7.7
56.23625	0.7
56.96500	13.3
57.03367	1.8
57.07007	3.1
66.19192	0.9
67.05423	10.6
69.06977	8.4
71.04884	1.6
79.05412	6.1
81.06964	15.8
83.08537	1.1
84.95984	1.4
87.05324	0.8
89.19144	0.8
91.05367	6.8
92.10183	1.5
93.06949	7.8
95.08517	15.0
97.10074	1.3
98.97520	5.5
99.07986	0.9
105.06953	10.2
107.08535	6.3
109.10071	3.7
111.07988	1.3
112.88338	0.8
115.05383	0.9
116.98562	5.8
117.06967	0.9
119.08553	7.1
121.06372	1.0
121.10118	4.6
123.11655	1.4
128.04869	1.6
129.06996	1.2
131.08484	1.0
133.10071	3.8
134.99617	5.6
135.11638	1.6
137.60860	0.8
138.58234	0.8
140.04948	1.7
142.06502	3.9
145.10081	1.2
147.11684	1.5
149.13258	1.3
153.01758	1.9
153.06985	3.7
155.06042	1.6
155.08517	1.8
157.10245	1.0
161.13226	1.3
165.06963	5.2
167.05991	16.6
167.07251	1.4
169.07599	10.6
176.07713	1.8
176.57855	0.9
181.07684	1.9
183.08124	2.0
185.07066	33.9
188.16464	1.1
189.16403	1.0
195.05501	40.0
197.07127	4.0
197.09981	6.3
197.60217	5.3
211.07475	1.5
213.06516	7.7
218.83594	1.0
229.05931	13.9
243.07579	100.0
258.40598	1.0
271.07159	47.8
271.09717	3.4
271.24167	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0977
Annotation	LY364947
Peak:m/z	Relative Intensity
51.04027	1.4
51.82565	1.5
54.81880	1.7
56.94636	1.4
66.05482	1.6
70.06489	2.0
72.29576	1.5
110.07105	2.9
136.06143	4.3
137.06540	2.0
148.06894	1.8
175.77573	2.2
243.08228	2.0
244.08696	3.6
247.96619	1.9
270.09378	35.7
271.09766	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98953	1.6
55.01811	1.9
55.05437	10.8
56.04974	2.2
56.96497	11.6
57.03364	3.0
59.96799	1.4
60.04438	1.9
61.02833	1.9
67.05415	3.0
69.03338	6.0
69.06974	3.4
70.06505	31.3
72.08057	18.3
73.02802	1.9
74.05974	3.0
74.29450	1.5
79.05432	1.8
81.03319	2.2
81.06986	1.7
83.04903	1.9
83.05988	2.7
83.08504	1.6
84.04422	10.5
84.08057	27.1
84.95930	2.3
85.02813	3.8
86.09623	24.2
91.05395	4.1
95.08518	2.6
97.02831	2.9
98.97495	11.1
100.11185	9.7
110.07118	20.7
116.98549	11.8
119.50610	1.7
120.08056	2.6
126.12736	2.3
129.10168	9.7
130.06442	2.1
134.99608	9.1
153.00699	2.5
153.01871	7.2
156.07671	2.8
158.99664	2.0
177.00677	1.7
193.61833	2.0
197.05989	1.8
201.03639	9.4
201.35771	1.7
203.05267	4.0
215.07088	2.2
246.58794	1.7
252.54726	1.6
253.04893	2.4
271.05991	18.6
271.11438	100.0
286.66537	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2053
Annotation	Clathrin B
Peak:m/z	Relative Intensity
55.05445	11.1
55.21325	4.2
56.96493	28.2
57.06992	5.6
60.75296	5.2
64.67057	4.4
67.05418	10.6
69.06977	10.6
74.96947	4.8
79.05392	9.8
81.06983	39.2
83.04877	6.5
83.08512	6.1
91.05415	41.4
93.06969	72.2
95.08536	25.2
105.06963	100.0
107.08530	26.0
109.10102	8.2
116.98547	11.7
119.08506	53.8
121.10125	19.0
123.08030	8.5
127.03885	6.6
128.06177	5.2
131.08516	11.5
133.10103	8.3
134.99625	9.9
135.07959	5.5
135.11656	8.1
137.09575	30.4
143.08548	29.2
144.70067	5.3
145.10115	28.0
153.01823	9.1
155.08583	7.3
157.10129	20.1
159.11662	23.7
161.13222	6.9
169.10114	9.9
173.13231	27.2
185.13170	6.9
197.13065	6.7
202.21651	6.0
211.14761	5.7
253.19330	42.6
271.05972	63.8
271.20419	86.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2418
Annotation	Axerophthene
Peak:m/z	Relative Intensity
53.18756	2.8
53.95469	2.9
55.05453	48.3
55.08308	3.3
57.07010	19.8
59.18905	3.0
67.05424	44.7
69.06985	89.0
71.08536	6.2
73.10365	3.7
79.05399	34.1
81.06971	75.2
83.08527	20.2
91.05421	38.9
92.47516	3.4
92.64597	3.3
93.06974	87.7
95.04888	4.6
95.08537	71.5
96.70300	4.3
97.10094	14.7
105.06971	90.2
107.08539	78.4
109.10114	35.9
117.07008	27.5
119.08522	61.2
121.10089	42.6
123.11667	34.1
125.46572	3.7
129.06926	5.3
130.22461	3.8
131.08531	58.9
133.10097	52.7
135.11615	42.1
137.13196	6.0
145.10085	68.7
147.11690	34.3
149.13211	8.3
159.11653	42.6
161.13237	21.7
173.13222	29.4
175.14804	16.0
187.14783	53.2
189.16324	14.6
201.16318	17.9
215.17961	25.5
229.19577	7.4
271.24179	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1127
Annotation	(S)-Tetraphyllin A
Peak:m/z	Relative Intensity
53.03878	1.2
55.01793	1.5
56.96503	0.8
57.03125	0.8
57.03370	12.2
61.02848	4.7
69.03350	15.2
70.06499	2.9
71.04894	3.7
72.08051	2.5
73.02827	8.2
75.04365	2.4
79.05386	1.0
81.03333	10.3
83.88901	0.6
84.08051	3.4
85.02818	4.5
86.09613	4.0
87.04371	1.2
87.09956	0.6
87.62117	0.6
90.39635	0.6
91.05417	4.5
92.04918	1.6
94.06476	3.6
95.04870	1.2
97.02813	3.3
98.97541	0.9
99.04378	8.7
102.04559	0.9
103.05402	23.3
104.04923	2.6
105.03313	3.2
105.07001	1.1
106.06459	1.4
109.06407	0.9
110.03593	1.6
110.07133	1.1
115.03926	0.9
117.05460	3.4
118.06483	12.2
119.04890	4.5
120.04417	28.1
120.08110	0.8
121.06447	2.9
122.05972	10.7
123.04374	5.7
124.05110	0.9
129.06926	0.7
129.10208	1.4
130.04138	1.2
130.06485	5.4
131.04889	43.5
131.77097	0.7
132.04411	100.0
133.04811	0.9
133.06461	1.1
134.05984	10.3
137.05943	7.3
138.05592	1.4
138.06715	8.7
144.08066	1.6
146.05975	14.1
148.03961	1.2
148.05148	13.7
148.24091	0.7
150.05470	42.7
151.07487	2.4
153.15651	0.7
154.06470	2.5
158.05975	2.7
161.05951	2.5
162.05519	0.9
163.07509	14.1
166.06229	8.8
170.05939	1.1
172.07529	19.3
176.06963	0.8
181.08551	7.0
186.27473	0.7
188.80637	0.7
190.08614	1.1
200.07005	8.1
218.08098	17.7
236.09187	3.5
237.11371	0.9
254.10123	6.9
255.12230	3.3
272.06549	1.3
272.11203	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	272.2582
Annotation	C16 Sphingosine
Peak:m/z	Relative Intensity
50.07262	0.6
51.64183	0.6
55.05426	1.0
56.04972	1.8
56.96492	1.0
57.06734	1.0
57.07008	17.2
57.71870	0.6
58.06534	9.5
64.33836	0.8
70.06497	7.8
71.08538	5.2
72.08062	3.5
83.09378	0.6
85.10072	0.9
86.05988	35.7
92.65094	0.8
100.07547	47.1
104.07053	1.5
109.26049	0.7
111.92621	0.7
118.08584	4.8
124.63954	0.7
131.04877	1.2
182.16524	0.8
198.09018	1.0
212.23711	1.1
241.80688	0.7
254.24722	100.0
272.25784	39.6
272.28781	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36933	0.4
51.59224	0.4
53.08908	0.3
54.08806	0.3
56.96499	0.9
57.03411	0.4
57.07013	21.1
58.06534	4.0
61.14404	0.4
67.05417	0.9
71.27156	0.4
72.08070	88.9
77.20087	0.4
79.34964	0.4
84.08069	0.8
97.27811	0.4
109.10091	2.9
112.11143	3.5
114.85509	0.4
124.99037	0.4
127.11150	23.7
127.12108	0.8
134.99693	0.6
144.85806	0.4
184.16931	100.0
185.17270	0.5
194.02217	1.0
195.01193	0.5
201.19543	3.8
216.52353	0.6
222.01704	2.0
238.03032	4.9
255.24251	13.2
272.26901	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	273.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08633	0.9
53.03891	4.6
55.05449	7.3
56.04975	6.3
56.96495	8.4
57.03372	7.6
57.05756	1.7
60.04453	2.7
65.03865	2.5
67.05425	4.7
69.03346	2.0
69.06982	5.5
70.06509	23.5
72.08072	16.8
74.06023	1.3
75.04383	1.6
79.05415	1.4
81.07001	1.1
83.08537	1.6
84.04427	13.2
84.08071	33.7
85.02837	1.8
85.08408	1.3
86.09628	33.4
87.09946	1.2
88.03922	1.9
90.83099	1.0
91.05386	4.1
92.64239	1.0
93.06977	1.7
95.04899	30.1
97.02829	1.7
98.97534	2.3
100.07539	1.5
105.04445	1.6
105.07018	1.3
110.03613	1.9
110.07115	13.0
111.04400	4.2
112.02171	2.2
112.08669	2.3
113.02307	1.3
116.07044	4.6
116.98574	1.8
118.06464	1.1
120.08060	5.3
121.06455	1.6
123.04385	27.9
125.02310	8.0
126.19991	1.2
129.10210	15.3
130.06451	2.1
130.08604	1.7
132.08061	1.6
134.99632	1.5
136.07617	1.2
138.06544	1.2
139.03926	1.8
140.04663	100.0
141.01804	1.8
153.05464	6.2
153.27928	1.1
155.07019	23.8
156.07706	2.5
167.03389	5.0
167.06941	1.5
169.01282	18.4
170.05968	1.2
171.06413	1.5
173.08063	1.4
181.04918	11.7
183.09171	1.0
184.00319	2.6
184.03641	83.1
184.07251	4.2
184.27226	1.1
199.02840	1.1
199.06001	30.4
227.02274	6.3
244.13972	1.3
273.06232	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1117
Annotation	4-Hydroxy-3-methoxyacetophenone
Peak:m/z	Relative Intensity
51.28656	1.0
55.05444	2.5
56.96492	5.6
57.03362	1.7
57.50973	1.1
66.73160	0.9
67.05408	2.4
68.99703	4.6
69.03342	4.9
69.06985	1.3
76.56395	0.9
79.05427	2.7
81.06960	2.1
83.04881	1.2
85.02829	9.5
87.04380	1.1
91.05388	6.4
93.06989	1.2
95.04851	1.1
95.08503	4.8
98.97498	6.4
107.04918	10.5
107.08540	1.8
109.10139	1.3
112.39036	1.4
113.37207	1.2
115.05408	2.6
116.98556	6.2
117.06955	2.4
119.04863	2.6
119.08521	1.3
128.02235	1.4
128.33752	1.2
128.98546	1.7
129.06985	1.8
131.04861	5.0
131.08490	1.3
132.28398	1.2
134.99660	2.2
145.06473	9.0
147.04384	22.8
153.07005	2.2
155.06065	1.5
157.06462	4.5
159.08028	1.7
161.02907	1.4
161.05898	2.0
165.06906	2.4
169.06425	1.5
171.04387	6.4
177.00781	1.4
181.06416	4.7
185.03098	1.1
187.07480	1.1
189.05458	2.6
222.40410	1.2
228.07788	1.7
229.08543	100.0
241.08601	1.2
255.10139	14.2
257.33026	1.2
273.11136	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	273.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46470	0.3
53.03874	0.8
55.01780	0.4
55.05446	0.4
56.96490	0.6
57.03366	3.9
58.25858	0.3
59.49419	0.3
60.04446	0.4
60.48444	0.3
67.05421	0.4
69.06973	1.5
70.06499	2.8
72.08053	0.9
75.05523	0.5
79.05376	0.6
81.06948	0.7
84.04395	0.7
84.08064	7.1
86.09618	8.0
91.05407	11.8
93.06419	0.7
93.06969	9.9
95.04871	2.8
98.97484	0.6
103.05399	7.4
107.04881	0.9
110.03635	0.7
110.07095	2.6
116.98556	0.4
119.04906	0.9
120.05653	2.2
120.08059	1.0
121.06452	13.2
121.22355	0.4
123.04385	1.0
124.05170	0.6
125.05893	0.4
127.40860	0.5
129.10194	2.2
130.08592	0.6
133.02803	0.5
137.04962	0.4
137.05931	2.2
138.06784	0.7
139.07516	0.6
140.04674	0.8
140.09242	0.4
141.05501	0.7
143.11784	0.5
147.04355	0.8
147.11290	0.5
148.05186	0.9
149.05923	3.6
151.03867	1.6
151.07521	0.5
153.05437	100.0
154.06171	0.6
156.07651	0.5
166.06212	10.6
166.68291	0.4
167.06999	5.7
179.06992	0.6
181.08551	43.9
183.34288	0.4
184.07266	47.0
184.99768	0.4
189.00681	0.4
197.08047	3.6
199.09613	18.1
231.98463	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1844
Annotation	CHEBI:69178
Peak:m/z	Relative Intensity
55.05445	18.5
56.96494	15.7
57.18898	2.3
64.44537	2.6
67.05429	19.1
69.03336	3.2
69.07005	18.8
81.06967	25.2
83.08524	4.4
85.80421	2.5
88.05238	2.1
91.05399	4.7
93.06957	4.2
95.04844	3.4
95.08537	28.9
98.97511	16.9
101.03891	2.7
103.49586	2.7
105.07001	10.8
107.08527	3.3
109.10126	4.2
116.98576	19.5
119.08556	5.3
121.06455	100.0
121.10120	4.6
125.20501	2.9
133.10039	2.8
134.99643	5.7
135.08009	13.2
141.06873	3.5
143.08582	3.8
145.06430	3.0
145.10155	10.1
146.99635	3.4
147.08041	51.6
158.07230	16.2
159.08032	40.6
161.09589	54.6
171.07999	51.4
171.11522	4.2
173.09586	63.9
175.11093	4.7
177.00586	3.3
181.06537	3.7
184.08801	3.8
185.09544	46.6
187.11174	12.6
197.09613	5.4
198.10362	11.7
199.11078	33.6
201.09085	11.2
211.11192	3.4
212.11954	5.4
213.12679	35.8
215.14290	17.1
240.46819	2.9
255.13603	3.1
255.17357	51.0
273.18484	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	273.2575
Annotation	beta-Springene
Peak:m/z	Relative Intensity
50.38704	3.1
54.75022	3.9
55.05444	10.4
57.07005	6.4
63.58567	3.8
67.05432	42.9
69.06979	43.5
74.62669	4.2
79.05416	24.5
81.06976	100.0
83.08540	10.7
85.10743	4.1
91.05390	15.6
92.10171	5.1
93.06973	59.2
95.08536	82.4
97.10095	5.6
105.06967	27.6
107.08530	61.4
109.10112	75.3
119.08542	31.7
121.10103	53.6
123.11666	37.8
126.17856	4.5
130.71680	4.1
133.10106	21.0
135.11656	21.3
137.13277	5.9
147.11679	18.4
149.13231	45.0
161.13210	26.0
163.14799	18.4
175.14839	7.9
177.16409	8.6
185.05496	4.4
189.16302	7.0
203.17995	5.8
217.19533	18.8
273.25607	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	274.2737
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
50.35724	0.5
51.55136	0.6
56.12112	0.6
57.07010	13.6
67.21515	0.6
68.62257	0.7
70.06143	0.9
70.06511	21.4
71.08535	3.6
74.68191	0.6
85.10102	1.3
87.59213	0.7
88.07048	1.2
88.07558	26.7
97.06525	0.7
102.09096	8.3
106.08612	12.6
113.83243	0.6
147.41565	0.7
148.85287	0.6
181.96663	0.6
256.26282	12.2
274.27350	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2735
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
53.80146	0.7
56.89994	0.6
57.06744	0.8
57.07006	17.4
58.06525	1.1
70.06509	20.8
70.54757	0.6
71.08546	5.7
88.07552	27.8
92.10847	1.1
102.09104	8.9
106.08606	13.8
110.08581	0.7
212.23734	1.3
213.27693	0.7
230.24663	0.8
256.26175	9.8
274.27325	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.9747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24616	3.8
52.34077	4.4
54.81497	4.9
56.96496	32.1
61.83564	4.4
69.36620	4.7
70.06518	5.0
72.08096	5.4
72.93693	6.2
81.77295	5.2
84.08092	19.2
98.97501	57.6
115.47865	4.6
116.98582	86.5
118.02508	6.0
118.99784	5.0
128.44757	5.5
132.95801	9.5
134.99626	100.0
150.96881	82.8
153.00687	22.5
154.94101	5.4
163.09084	5.0
179.49608	5.0
190.96294	6.9
191.97198	12.7
209.98198	7.5
250.97548	6.5
274.97479	35.5
279.74722	4.9
279.82697	5.3
292.98468	31.7
294.90118	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	275.0913
Annotation	Phloretin
Peak:m/z	Relative Intensity
53.03890	0.3
55.05448	0.2
56.96490	1.0
59.03537	0.2
67.01773	0.3
67.05420	1.1
70.06505	0.3
79.05398	1.3
81.06964	0.5
84.04414	0.3
85.02840	0.7
91.01122	0.2
91.05363	0.3
95.04894	1.2
95.08569	0.3
98.97515	1.2
105.06990	0.4
107.04897	100.0
108.05207	0.2
109.10107	1.3
116.98593	0.9
122.89516	0.2
123.04345	1.0
127.03843	0.4
134.99651	0.4
137.05907	0.2
149.05923	0.2
151.03882	1.8
161.02798	0.3
165.18304	0.2
169.03606	0.2
169.04936	6.4
210.62419	0.3
220.57582	0.2
239.23238	0.2
247.87505	0.2
259.12167	0.2
275.09128	1.6
281.48483	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21461	0.1
63.28545	0.2
70.06525	0.3
74.02354	4.9
89.10042	0.2
90.17612	0.2
91.05410	0.2
92.10949	0.2
98.97532	0.2
115.05400	4.6
116.04948	0.3
119.02608	0.2
130.06497	2.3
140.04904	0.3
142.06505	17.8
144.08095	1.4
169.07558	0.9
170.05974	100.0
171.06296	0.9
188.07033	0.9
188.34622	0.2
202.08601	22.7
275.10251	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01918	0.1
59.09249	0.1
61.96591	0.1
70.72601	0.1
74.02350	4.8
98.14671	0.1
102.93585	0.1
115.05395	4.1
116.04920	0.4
118.06477	0.1
120.08036	0.1
127.86009	0.1
130.06485	2.1
132.08064	0.3
140.04901	0.5
142.06494	17.3
144.08051	1.3
146.05959	0.2
159.09158	0.2
160.07495	0.4
169.07568	0.7
170.05966	100.0
171.06323	1.1
174.09099	0.1
185.07104	0.2
188.06979	1.0
197.07083	0.1
202.08589	22.9
203.08879	0.2
215.08115	0.2
229.09747	0.1
275.10126	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10493	0.8
55.05444	1.8
63.59269	0.8
69.03359	1.4
70.06530	2.3
72.08070	21.0
73.08385	1.2
82.87850	1.0
84.04424	1.7
84.08051	2.2
85.02814	2.4
85.96261	1.1
86.09643	1.9
97.02805	1.5
110.07122	1.1
111.33015	1.0
113.02315	2.6
115.32774	1.2
117.28865	1.0
118.43569	1.0
119.01859	1.4
125.07066	4.5
137.02905	1.3
274.27319	1.1
275.10944	100.0
297.09171	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
53.03883	2.2
55.01802	5.4
55.05447	30.1
56.96494	12.1
57.03372	3.0
57.07001	2.5
67.05424	37.5
69.06982	17.3
79.05409	36.4
81.06981	42.7
83.04916	3.6
83.08533	5.1
84.04478	2.8
91.05403	82.5
93.06965	34.2
95.04902	10.8
95.08519	25.8
97.06464	2.9
98.97523	5.9
105.06976	100.0
105.17995	2.2
107.08540	26.7
109.06464	3.1
109.10092	5.7
116.76038	2.4
116.98608	3.1
117.06982	20.0
119.08543	50.9
121.06502	3.6
121.10107	9.9
131.08501	18.9
133.10085	46.2
134.99637	5.6
135.08072	2.5
140.28766	3.0
143.08478	3.3
145.10091	22.8
147.11607	23.7
149.09584	12.5
159.11685	4.7
161.13191	3.3
163.11163	5.3
165.12619	2.8
173.13194	2.9
211.52373	2.5
239.17867	3.5
257.19031	5.7
262.58182	2.7
275.19992	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55512	4.4
55.05443	30.4
56.96501	53.4
57.07008	27.8
58.37135	4.6
58.96056	6.2
60.26461	5.4
63.67939	4.7
64.41586	4.4
67.05411	27.2
69.06963	6.8
70.06502	28.6
71.08562	10.2
75.42453	5.9
79.04560	5.2
79.05402	35.5
79.13944	4.7
80.43138	5.4
80.80408	5.2
81.06976	71.4
83.08541	5.8
88.07551	33.3
91.05408	37.7
93.06973	13.5
95.04894	5.8
95.08553	19.1
100.99091	5.6
102.09137	7.1
105.06963	54.3
106.08643	10.0
107.04890	6.5
107.08537	9.0
109.06474	9.5
116.98544	6.6
117.06982	5.4
119.08542	31.1
121.06424	5.3
131.08502	9.8
133.10089	9.6
135.08017	7.7
146.99675	7.3
147.11606	7.5
190.98660	8.2
208.99637	10.2
212.36366	5.2
218.85400	5.3
265.67941	5.2
274.27325	100.0
275.19980	44.3
275.27707	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.01802	6.1
55.05445	28.4
56.59390	2.2
56.96503	2.7
57.03379	3.1
57.07013	5.9
63.64962	2.2
63.91759	2.1
67.05421	37.3
69.06974	16.7
70.06503	3.9
79.05400	43.1
80.73895	2.9
80.77127	2.5
81.06964	41.9
83.04871	3.2
83.08527	4.4
88.07542	10.5
91.05404	84.1
93.06959	51.5
95.04884	6.4
95.08532	27.1
97.06461	11.2
97.10069	3.1
105.06973	100.0
105.07664	5.5
106.08611	3.7
107.08530	35.5
109.06480	6.3
109.10090	5.7
111.08095	3.2
117.06966	21.0
119.08526	73.9
121.06478	4.9
121.10129	19.5
121.89344	2.7
123.00063	2.6
123.08039	3.1
129.06996	3.5
131.08563	31.6
133.06454	3.7
133.10078	44.8
134.99570	2.7
135.07990	6.0
135.11681	5.0
142.75935	3.1
143.08559	4.2
145.10095	29.2
147.11661	20.6
149.09528	28.9
151.11224	3.4
155.08562	4.5
157.10127	3.8
159.11674	15.0
163.11148	14.4
165.12766	3.3
169.10034	6.3
171.11546	4.8
173.09486	3.1
173.13243	4.4
177.12784	3.5
183.11746	2.8
188.25203	2.6
213.16356	2.9
229.19498	4.0
239.17764	5.5
257.19003	18.1
274.27411	19.7
275.19968	79.6
275.27649	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	275.2003
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
52.57343	2.0
53.03874	4.5
55.01794	11.5
55.05451	25.7
55.28731	2.2
56.96503	29.6
56.96738	4.5
57.07001	10.9
59.15849	2.5
62.75503	2.6
67.05424	31.5
69.06979	17.0
70.06505	3.1
71.08546	4.3
79.05414	32.6
81.03347	5.7
81.06975	46.0
83.04826	2.9
83.08552	4.2
85.10087	2.9
88.07550	5.1
90.57279	2.4
91.05408	75.5
93.06962	23.2
95.04877	10.9
95.08519	24.4
97.06484	4.1
97.10046	2.5
105.06973	100.0
106.08635	3.4
107.04886	6.7
107.08526	12.4
109.10118	6.0
117.06963	13.6
119.08528	40.1
121.10096	4.0
131.08546	19.7
131.36778	2.7
133.10100	36.6
135.11649	2.8
137.09570	2.8
143.08498	2.8
145.10054	5.6
147.11638	5.9
156.97469	3.3
157.10129	5.5
159.11671	6.3
174.98491	5.7
207.32767	2.4
212.99966	13.7
270.35968	3.0
274.27286	18.6
275.20053	38.8
275.27686	18.2
299.52087	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	276.253
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82111	2.5
55.68433	2.2
56.96491	10.5
57.06999	15.7
58.06498	2.3
68.99702	3.8
69.03328	11.2
70.06500	33.4
71.08532	4.1
85.10081	2.7
87.04380	15.7
88.07557	46.2
89.31956	2.3
93.06926	2.8
102.09108	28.4
107.04869	17.9
108.05236	20.8
108.77263	2.6
129.01781	10.5
133.04929	14.6
134.99570	3.6
136.04636	2.3
138.13164	2.7
157.04932	36.2
163.03870	5.1
170.18979	2.6
181.02765	3.1
214.21614	71.6
246.07857	3.0
276.25256	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96247	0.7
56.96500	13.8
61.76077	0.5
65.54102	0.6
71.95158	1.3
83.90363	0.5
92.07656	0.7
92.10255	0.7
98.97509	85.7
101.00815	2.6
101.97411	0.6
111.32475	0.7
116.82243	0.7
116.98565	100.0
119.01867	20.5
120.01981	3.9
121.01630	6.0
131.01855	1.1
134.99620	76.1
137.02916	11.3
138.03020	1.6
139.02652	3.7
142.03455	4.1
143.03539	0.8
144.03194	0.7
145.03325	1.2
149.02835	0.7
153.00685	17.3
157.03410	0.7
158.01250	1.0
160.04497	1.2
161.02913	4.3
166.83850	0.8
173.02913	1.5
175.04448	2.3
177.00894	7.0
178.00992	3.6
179.00636	6.1
180.00926	0.7
185.02873	0.9
219.01981	5.8
220.02019	3.6
221.01724	3.5
222.01793	0.8
234.99643	1.4
240.98727	3.1
248.94168	0.7
250.99223	5.6
251.49281	1.4
256.96515	9.6
257.96640	3.4
258.96356	12.0
258.99680	26.0
259.96484	0.9
259.99686	0.9
261.03061	13.0
262.00345	0.9
262.02951	6.1
262.49869	1.5
263.02756	11.1
264.02911	1.0
274.97565	5.7
275.97696	3.5
276.97510	6.6
277.00723	90.1
277.07443	3.0
277.97949	0.9
278.01056	3.9
278.97244	0.8
279.00705	2.8
282.71652	0.7
284.99734	2.6
295.01691	1.2
295.08655	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97117	6.1
60.05564	15.5
61.02844	6.8
66.21246	6.2
69.03336	11.4
70.06509	100.0
72.08065	14.3
76.56316	6.9
83.52850	6.3
84.04408	34.0
84.08045	32.6
85.02801	30.0
86.09612	6.6
92.10270	10.9
97.02818	34.6
99.04382	11.1
100.49792	6.1
112.07577	9.0
114.09122	13.2
114.10229	6.4
115.35054	7.5
116.07025	8.1
119.01887	31.3
130.09747	15.5
131.01813	8.7
137.02895	10.1
137.61153	6.1
145.03496	7.5
157.03365	10.5
161.02954	16.1
172.09660	12.1
173.02806	7.8
185.02893	8.4
255.48901	7.0
277.03131	25.7
277.14911	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	277.0319
Annotation	selenoneine
Peak:m/z	Relative Intensity
56.56372	12.1
63.31082	10.0
70.06509	100.0
72.08053	52.5
79.99303	13.6
88.05888	12.7
109.91727	12.2
112.75867	14.5
121.30312	11.2
173.91626	13.8
195.28894	11.9
277.03152	81.7
277.06998	11.0
277.14755	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	277.0915
Annotation	Ranunculin
Peak:m/z	Relative Intensity
52.97566	0.8
53.03883	1.7
55.01801	4.9
55.05431	1.1
55.44673	0.9
57.03370	13.6
57.25940	1.0
59.04922	1.3
59.11906	0.8
60.04448	2.2
61.02850	2.0
65.03831	1.1
67.05422	1.4
69.03348	100.0
70.06487	1.8
71.01260	1.9
71.04897	1.9
72.39520	1.0
72.45525	0.9
73.02823	5.8
80.76331	0.9
81.03329	21.8
81.85425	0.8
83.04916	3.7
83.83442	1.0
84.04429	1.1
85.02335	1.9
85.02818	30.3
86.09625	2.4
87.04383	4.4
90.93600	0.9
92.10215	2.6
92.10849	6.4
95.04878	2.4
97.02822	50.6
97.03460	1.8
99.04373	17.3
103.03853	2.0
109.02835	2.4
111.04353	2.2
115.03885	12.6
117.05453	2.0
120.08046	2.6
123.04398	2.2
127.03809	7.2
130.06503	1.7
133.04941	5.1
139.03868	1.8
145.04895	7.6
151.03827	1.6
177.00662	1.4
183.28262	1.2
253.07484	1.2
259.07986	2.0
277.09088	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	277.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79486	0.8
54.81548	1.1
55.01799	2.4
55.05441	2.1
56.04965	6.4
56.96490	5.6
57.03365	0.9
60.04447	2.1
64.33331	1.0
69.03345	9.3
69.06975	6.1
70.06508	30.7
72.07712	1.2
72.08073	19.1
74.02347	13.0
74.05981	1.5
75.70946	1.0
80.04890	1.1
81.03327	1.5
83.06025	1.2
84.04420	18.8
84.08067	23.8
85.02817	6.1
85.08321	1.3
86.09632	20.4
88.03897	1.4
88.45101	1.0
90.05456	2.4
91.05418	4.2
92.10842	1.3
93.07008	1.5
95.05983	1.5
97.02234	1.0
97.02811	5.6
98.97507	8.1
99.05443	1.1
102.05463	2.5
103.05328	1.1
104.84843	1.0
105.06995	1.4
107.04872	1.3
110.07096	15.5
114.37229	1.3
115.05379	2.5
115.08645	1.0
116.07070	1.5
116.98566	6.5
117.05714	1.6
117.06945	1.0
117.76787	1.0
118.06498	15.1
120.08072	8.1
122.07092	1.0
127.08640	1.3
128.98543	1.2
129.06902	4.2
129.10233	12.3
130.04973	3.9
130.06493	44.5
131.06827	1.5
132.08055	6.8
134.99585	5.1
136.06143	17.3
136.07521	1.9
137.05966	1.2
142.06493	1.5
143.07289	12.6
144.08069	37.5
145.04939	1.0
145.06464	1.4
145.08395	1.5
146.05983	40.5
147.06351	11.5
154.06468	7.3
155.07161	1.7
156.08087	11.4
158.08324	1.9
158.09634	47.8
159.09134	2.4
161.01257	1.3
167.07248	13.7
168.08049	100.0
169.08519	2.3
170.05968	7.7
170.09543	1.9
170.99590	1.0
171.06590	1.6
172.07497	11.6
177.00696	2.0
177.36914	1.0
178.06097	1.1
180.08017	6.1
182.05931	6.6
183.06870	1.3
183.09120	4.3
184.07469	5.5
185.10593	1.5
186.09102	95.9
187.09453	1.3
188.07036	31.0
188.08621	1.1
189.00635	1.0
189.05745	1.8
189.07368	14.9
191.55234	1.4
195.07320	1.9
195.09135	36.3
196.07509	9.1
197.08253	2.1
197.10782	1.3
199.08672	1.3
205.09784	1.3
206.09969	5.0
213.10178	6.3
214.08572	5.0
224.07016	7.4
229.09651	1.1
231.11122	1.4
240.81804	1.1
241.09668	16.2
242.08041	14.1
242.10123	1.5
245.09178	1.5
259.10721	9.0
277.11734	28.8
278.11334	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36718	0.6
54.81900	0.6
55.01806	1.1
56.96494	4.4
57.03377	1.3
57.77207	0.5
58.53877	0.6
61.02838	0.9
64.12311	0.6
69.03348	7.5
69.06990	0.8
70.02870	4.6
70.06492	3.3
72.08059	2.5
76.56471	0.7
79.05377	0.8
81.03371	0.7
82.02861	4.1
84.04430	17.5
84.08059	3.6
85.02821	7.4
86.09628	1.6
88.03902	1.0
91.05407	2.9
92.10268	0.6
97.02799	5.1
98.97507	3.8
99.04376	1.5
99.26352	0.7
100.03873	1.0
103.03858	2.8
103.05373	0.9
109.02834	0.9
110.07121	1.6
115.03892	0.7
115.05397	4.4
116.98569	4.1
117.05685	3.4
117.06965	3.1
118.06490	57.9
120.08060	29.6
127.03860	3.0
128.03369	1.6
128.98550	1.1
129.10255	1.0
130.06529	5.3
131.04817	0.7
132.08055	28.1
133.08374	1.6
134.99586	1.6
138.64510	0.7
139.60010	0.6
142.06517	4.5
143.07301	6.8
144.08054	25.9
145.06461	0.9
146.05984	100.0
156.08051	1.7
158.08344	5.0
159.09123	1.3
160.07574	1.1
160.09485	1.5
161.01234	0.8
166.08588	4.6
168.08029	4.2
170.05983	10.0
177.00676	0.9
177.38017	0.7
183.09125	1.4
186.09167	1.5
186.42279	0.7
188.07031	49.7
195.09157	3.3
197.10626	0.9
216.94914	0.8
219.01639	0.8
229.09641	6.3
231.11287	5.8
241.09712	4.4
259.10916	0.8
277.11771	3.7
291.03510	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	1.6
55.01808	7.2
55.05457	1.6
56.04943	1.4
56.92078	1.3
57.03373	12.1
60.45663	1.4
61.92567	1.4
64.35601	1.4
67.05427	1.8
67.38194	1.3
69.03351	100.0
70.06526	13.6
70.99642	1.5
71.04884	2.7
72.08070	7.4
73.02829	6.8
74.02351	11.0
75.76661	1.4
80.82321	1.7
81.03337	21.8
84.04426	2.4
84.08072	9.7
85.02830	29.6
86.09610	8.2
87.04399	2.6
91.05417	3.8
93.66483	1.4
95.04922	3.0
97.02824	47.1
98.38945	1.6
99.04386	11.8
106.37923	1.8
107.04939	1.6
109.02812	2.1
110.07119	7.3
111.04440	2.7
115.03857	10.1
116.98544	2.0
117.05599	2.4
118.06474	11.2
127.03850	3.9
129.06955	12.8
130.06500	24.9
132.08044	13.5
133.04893	3.8
142.06465	2.3
143.07271	7.2
144.08073	77.4
145.04967	7.6
145.07512	1.9
146.06001	18.2
154.06520	8.8
155.07281	9.5
156.08064	55.4
157.08847	3.0
158.09602	29.5
160.07526	8.2
166.35475	1.7
167.07260	3.5
168.08049	64.7
170.05975	17.0
172.07516	9.9
180.07903	1.8
182.05974	2.9
183.06764	11.5
183.09111	2.2
184.07608	17.4
186.09105	77.6
188.07043	16.6
195.09087	2.4
196.07623	12.6
196.11650	2.1
200.07022	2.9
202.08603	9.6
204.10188	9.7
212.07104	3.4
214.08589	8.3
229.09654	12.9
230.08105	25.2
241.07133	1.9
241.09534	1.6
242.08066	3.5
247.10880	14.0
260.09143	8.9
277.09058	14.3
277.11829	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	277.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00907	0.6
52.62486	0.7
53.00233	1.5
55.01798	1.3
55.05452	9.8
56.96484	4.4
57.03821	0.6
57.05337	0.6
57.06742	0.7
57.07011	20.6
58.07110	0.6
58.07336	7.7
59.07654	1.0
67.05430	12.1
69.03339	1.2
69.06992	6.1
70.06509	21.4
71.06196	1.0
71.06834	11.0
71.08546	6.0
72.07158	1.1
72.08865	2.0
79.05405	18.0
81.03297	0.9
81.06969	13.3
83.08520	4.6
83.64237	0.8
86.10422	1.1
88.07551	22.1
89.07362	1.1
89.07884	15.1
90.07986	5.1
91.05392	10.0
93.06445	1.3
93.06976	25.2
95.04903	3.4
95.08553	7.2
97.06436	1.2
102.09103	4.8
103.09454	1.9
105.06995	6.5
105.99164	0.8
106.08611	6.2
107.08403	9.6
108.09035	5.6
109.10110	2.0
119.08518	4.6
121.10106	10.3
131.08521	1.9
133.10110	1.4
135.11652	8.5
147.11641	1.1
147.64005	0.9
149.13194	3.5
179.10629	3.3
201.96658	0.8
235.16859	4.5
256.26196	1.0
258.26917	9.1
259.27258	1.8
272.24078	0.9
276.27969	100.0
277.17877	5.4
277.21552	14.1
277.28201	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2158
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03885	3.4
54.95944	1.6
55.01795	7.6
55.05448	27.6
56.96487	3.2
57.07000	10.2
58.07340	2.0
60.00593	1.4
67.05082	1.9
67.05424	35.4
69.06978	22.0
69.86144	1.4
70.06492	10.5
70.06828	1.7
71.04924	2.2
71.08534	2.6
74.89826	1.4
79.05405	80.1
81.06971	41.0
83.04882	2.4
83.08538	12.6
88.07541	9.8
89.07869	2.6
89.67772	1.6
91.05402	35.6
93.06972	100.0
95.04872	12.9
95.08533	26.4
97.06454	6.4
97.10087	5.6
105.06981	23.1
107.08505	35.9
109.06431	2.6
109.10107	11.2
110.03986	1.7
117.06939	4.1
119.08553	13.8
121.10091	28.8
131.08554	3.9
133.10069	11.4
135.11655	29.8
143.08458	2.3
145.10097	3.1
147.11649	7.2
149.13231	12.0
161.13213	3.7
165.12680	2.3
171.11606	2.2
185.13243	2.0
199.14818	2.1
215.89073	1.6
217.76012	1.7
249.33440	1.8
258.26886	7.1
276.27985	48.8
277.21558	54.0
277.28204	19.0
278.82172	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.216
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
50.66360	1.2
53.00229	1.3
53.03878	2.7
55.05450	23.6
55.32089	1.1
56.96485	1.3
57.07001	2.9
67.05428	30.9
69.06986	19.2
79.05406	76.2
81.06976	29.5
83.08541	6.6
86.35873	1.3
91.05408	35.9
93.06971	100.0
95.04889	11.7
95.08517	15.3
104.65103	1.4
105.06975	14.3
105.07550	1.4
106.65958	1.4
107.08535	33.1
109.10104	9.7
117.06962	2.2
119.08533	7.0
121.10085	20.3
131.08539	2.5
133.10112	9.9
135.11642	23.7
147.11618	2.9
149.13222	8.9
159.11682	1.5
180.74075	1.5
231.16312	1.4
277.21545	27.6
290.83743	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2161
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
52.83004	2.6
53.03883	2.5
53.58482	2.7
55.05451	48.9
57.07010	7.6
59.48762	2.5
62.18603	2.9
62.24115	2.5
64.02837	2.5
64.42995	2.8
67.05423	42.3
69.06989	26.5
79.05405	82.8
81.03309	3.3
81.06973	40.8
83.08549	13.7
85.06441	3.4
85.15910	3.4
91.05414	36.2
93.06967	100.0
95.04897	14.5
95.08524	29.7
97.10076	3.5
105.06981	12.7
107.08542	44.6
109.10097	12.9
110.86681	2.8
114.31969	3.3
119.08558	7.1
121.10101	21.8
133.10118	6.7
135.11662	16.8
149.13187	4.7
154.94109	7.5
163.14755	3.3
172.95193	48.8
174.98373	3.3
190.96292	31.3
209.02754	3.2
220.28036	3.3
228.97836	18.2
246.98816	12.0
277.21545	29.6
285.85843	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	277.216
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03893	3.0
54.01336	1.6
55.01810	100.0
55.05451	59.0
56.37730	1.7
56.96509	8.8
57.03385	2.6
57.07000	3.4
61.44032	1.8
67.05425	74.0
67.44289	1.8
69.03344	2.4
69.06989	24.5
71.08540	9.0
75.55128	2.1
79.05404	49.8
81.03346	2.9
81.06971	72.5
81.07446	2.4
83.04890	15.0
83.08530	30.4
85.06490	3.4
87.32767	2.1
91.05399	51.7
93.06971	62.1
95.04893	20.6
95.08528	50.0
97.06449	11.5
97.10101	3.1
99.08032	2.7
105.06968	32.7
107.04876	2.6
107.08539	36.3
109.06451	10.2
109.10098	22.7
111.08023	57.5
111.08724	2.9
117.06993	4.3
119.08548	14.3
121.10050	17.9
123.08040	3.2
123.11647	8.4
126.29096	2.0
129.06989	2.1
131.08505	9.5
133.10094	26.3
135.11667	10.0
136.93091	4.1
139.11206	2.9
147.11679	4.6
149.09637	2.9
149.13255	4.3
151.11160	10.4
154.94130	22.5
157.10040	2.1
159.11708	3.6
161.13203	4.3
165.12746	4.8
171.11679	2.0
172.95186	58.0
177.00627	2.7
179.14273	3.7
185.13092	2.1
190.96234	40.0
228.97842	11.5
233.08279	2.2
246.98849	13.7
249.22122	2.7
259.12186	4.2
259.20401	5.0
277.21570	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74113	0.9
53.87772	0.9
56.04964	6.0
57.07001	9.3
58.06533	15.3
60.04448	2.6
66.00756	0.9
69.06963	1.0
71.08526	5.4
72.08061	4.2
74.05990	11.2
86.05967	5.3
88.07545	68.9
98.97514	6.4
100.07530	2.5
104.07036	5.8
109.31771	1.1
114.57719	1.1
116.98560	6.4
117.61127	1.2
128.98521	1.2
132.10153	17.7
134.99637	1.7
146.99576	1.8
149.02304	15.7
156.47797	1.0
158.99545	1.8
162.11212	4.1
166.10741	2.2
177.00635	4.2
186.18474	72.9
189.00676	1.6
191.22388	1.2
230.21071	24.8
260.22052	1.4
278.23190	100.0
279.23605	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48528	1.5
53.50546	1.3
54.81631	1.4
56.74186	1.2
56.96269	1.4
56.96498	21.4
57.07010	10.9
58.52006	1.2
64.33224	1.4
67.71902	1.2
81.06941	1.7
98.97509	89.8
101.12241	1.6
104.98470	1.2
104.99180	10.3
110.97536	13.5
116.98566	100.0
116.99392	3.6
117.91032	1.3
121.02812	6.2
128.98558	39.3
134.99622	85.5
146.99625	49.1
149.01242	2.7
149.02304	77.8
149.03505	2.8
153.00673	26.3
154.90747	8.8
154.94122	1.8
158.01187	3.0
158.99594	17.9
159.99205	1.6
160.97391	1.3
165.00687	16.2
168.97752	2.2
170.01346	1.3
170.99576	6.4
172.95216	15.6
176.02142	1.8
177.00674	57.5
186.98950	4.9
189.00671	24.8
190.96355	10.1
192.91046	5.5
195.01649	10.9
195.38339	1.6
196.91776	22.1
200.02286	1.8
201.00676	2.4
207.01733	16.7
210.92084	11.4
212.02324	2.1
214.92775	3.5
219.01770	3.0
228.93088	2.2
237.02733	6.1
249.02820	1.9
279.03720	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	279.093
Annotation	Triphenylphosphine oxid
Peak:m/z	Relative Intensity
53.03865	0.7
56.96474	0.2
57.06989	0.4
75.67628	0.2
77.03816	0.3
93.49905	0.2
94.91964	0.2
95.00405	1.4
95.04890	3.1
96.84210	0.2
98.97473	1.2
105.04449	0.4
116.98580	1.1
121.02781	0.2
128.06166	1.1
128.98570	0.4
129.06990	1.6
133.02029	0.4
134.99588	0.4
141.00938	1.2
141.06955	0.2
145.81203	0.2
146.66489	0.2
146.99664	0.3
149.01147	0.3
149.02313	7.1
153.06804	0.2
154.07716	1.0
162.49696	0.2
171.03557	2.1
172.95222	0.3
173.05109	12.2
177.00708	0.3
183.03575	1.4
201.04601	9.6
219.05650	100.0
220.05962	0.9
279.09262	76.8
280.09537	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1334
Annotation	Prolyl-tyrosine
Peak:m/z	Relative Intensity
56.96492	1.5
57.03349	2.2
57.06993	3.1
59.69708	0.5
61.02838	0.6
62.53641	0.6
69.03335	5.0
70.06506	53.6
71.07253	0.8
71.40906	0.5
72.08070	0.8
73.63921	0.5
76.16025	0.5
84.08031	2.4
85.02827	5.8
86.09622	1.1
87.04377	1.4
91.05397	41.2
92.10947	0.7
97.02801	4.0
98.97507	9.4
110.75493	0.5
110.97541	0.8
112.11158	2.3
114.05449	3.5
116.07030	66.8
116.98565	9.1
117.07372	0.6
118.06399	1.1
119.01810	1.1
119.04884	29.2
121.02791	2.2
121.06431	0.9
128.98557	2.6
132.03470	0.6
134.99603	4.5
136.07544	100.0
137.07811	0.6
145.03453	1.0
146.99585	2.8
147.04338	2.6
149.02298	33.5
157.03522	0.7
158.99597	1.1
161.02917	2.2
167.03362	1.2
170.99609	0.8
173.02899	3.3
177.00633	4.2
185.02925	0.7
189.00723	1.3
195.01721	1.0
197.00551	0.6
203.03943	1.3
207.01735	0.8
215.04173	0.6
219.01678	1.1
221.05124	0.7
238.13628	0.6
262.10657	1.3
279.13297	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	279.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03867	1.5
55.01810	2.1
55.05439	1.1
55.77558	0.9
55.78581	0.9
56.04956	6.7
56.96493	1.4
57.03365	7.1
57.07010	8.4
59.04925	2.5
61.01067	5.9
61.02843	7.1
67.05421	2.2
69.03346	17.4
70.06512	9.3
71.04885	1.8
72.08053	5.6
73.02829	4.4
74.05981	1.5
81.03323	6.4
81.06974	1.2
82.66720	1.1
83.01210	1.2
84.04433	16.4
84.08046	5.3
85.02825	80.9
86.09609	1.3
87.02615	1.1
87.04379	4.7
91.03854	2.6
91.05373	4.3
94.49090	1.4
95.08497	1.2
97.02815	21.3
98.97513	9.1
98.98393	6.4
99.04379	5.4
101.36729	1.3
104.05242	4.7
109.02820	7.6
110.07058	1.7
110.97475	2.0
116.01676	1.3
116.07024	4.4
116.98582	14.3
117.04597	1.2
119.01838	4.6
119.04907	1.3
121.02819	6.7
121.03987	1.1
127.03883	12.4
128.98566	2.8
130.04935	2.2
133.03140	5.6
134.99599	8.1
136.07547	6.3
145.03375	1.4
145.03749	1.3
145.04926	19.4
146.99594	2.7
149.02315	100.0
150.05762	2.1
153.00697	1.4
154.39566	1.1
158.05951	2.0
158.99657	1.8
163.05951	4.8
167.03323	2.2
167.05244	1.4
173.02863	4.6
177.00653	5.7
180.08531	1.5
215.08168	4.8
226.13728	1.2
242.34891	1.3
261.08615	8.8
262.12762	2.5
279.04022	1.4
279.09549	1.8
288.09232	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	279.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31975	1.8
53.69176	2.3
60.34857	2.3
61.02843	11.5
69.03344	20.9
71.04882	2.2
81.03334	6.1
85.02347	4.3
85.02827	100.0
87.04388	4.4
91.03862	5.1
97.02798	25.3
100.48055	2.9
109.02853	4.4
112.04879	2.9
127.03846	15.8
145.04898	17.2
234.93806	2.8
267.94882	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	279.1588
Annotation	Monooctyl phthalate
Peak:m/z	Relative Intensity
57.07010	12.3
57.07286	0.6
61.96946	0.3
65.03857	1.4
68.54906	0.3
79.60413	0.3
93.03322	0.5
111.04362	1.3
121.02811	6.9
121.03792	0.6
130.40532	0.3
149.02312	100.0
154.94067	0.4
167.03369	1.9
172.95206	0.5
190.96246	0.4
205.08559	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1701
Annotation	Ile Phe
Peak:m/z	Relative Intensity
55.05460	0.2
56.96498	0.2
57.05751	0.2
57.06998	0.2
58.06532	0.3
67.78561	0.2
69.03329	0.2
69.06984	16.4
70.06496	0.4
71.24866	0.2
84.08068	0.4
85.02816	0.3
86.09622	100.0
94.98640	0.2
98.97526	1.3
103.05378	0.8
107.04880	0.3
116.98580	1.0
120.08051	11.7
121.02854	0.3
134.99625	0.5
149.02312	8.0
158.99744	0.2
163.64836	0.2
166.08586	3.1
177.00729	0.5
258.61581	0.2
279.17072	2.5
297.45734	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1702
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
50.93174	0.3
50.93418	0.3
56.96502	1.4
57.07015	3.3
63.45260	0.3
65.03879	0.4
65.43303	0.3
69.06989	0.9
70.06499	0.7
84.04370	0.4
84.08064	0.6
85.02809	0.5
86.09630	91.9
91.05402	0.9
93.06979	2.4
95.04906	0.5
95.08543	0.4
98.97516	4.5
103.05408	7.5
110.97485	0.5
116.07077	0.3
116.98568	4.3
120.08061	100.0
121.02820	2.0
121.08430	0.6
128.98584	1.7
131.04849	0.5
132.10162	1.7
134.99632	2.3
146.99670	0.7
149.02330	25.7
153.00731	0.5
166.08609	6.1
167.03491	0.6
172.95222	0.7
177.00668	2.4
210.91891	0.4
233.16405	0.5
279.16965	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	279.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	1.3
54.81527	1.2
55.01824	1.0
55.05446	4.6
56.96505	18.3
57.03375	0.8
57.07016	14.0
63.66879	0.8
65.03867	1.8
67.05431	32.6
69.03343	1.0
69.06979	4.7
71.08555	8.5
76.56016	1.0
79.05408	7.5
80.94746	1.5
81.06506	1.7
81.06976	39.3
83.04903	1.5
85.10103	4.9
91.05414	8.7
92.10960	1.9
93.06966	10.6
93.69490	1.0
95.04894	1.0
95.08532	27.4
98.97497	6.3
99.08041	4.0
101.53233	0.9
102.77209	0.9
105.07000	6.4
107.08537	6.4
109.02277	0.8
109.06462	0.8
109.10119	8.9
109.97215	0.8
113.09595	3.9
113.19664	1.0
116.98608	7.8
116.99352	1.2
119.08569	4.2
121.02820	7.5
121.06459	1.5
121.10097	4.7
123.03836	1.2
123.08031	1.5
123.11719	1.6
128.98547	1.6
129.03813	3.5
131.08525	6.6
133.06468	4.9
133.10103	4.9
134.99629	7.6
135.08014	2.2
135.11711	1.7
135.54231	0.9
136.04591	1.0
137.13228	1.1
138.04245	1.1
145.06464	8.0
146.99609	4.4
147.08031	5.2
147.11673	1.8
149.02327	100.0
149.09558	1.1
151.14864	1.3
153.00720	1.6
159.06680	0.9
159.08026	6.7
160.08824	20.2
161.09334	4.7
165.00659	1.1
165.05583	1.0
167.03384	2.1
172.56732	0.9
173.13263	1.0
177.00691	6.2
181.55440	0.9
185.07228	2.0
186.56560	2.0
189.00713	2.1
190.96283	1.1
194.07779	9.4
198.01944	4.1
203.08302	7.7
203.58548	3.3
205.58525	3.8
209.04770	1.3
211.06303	1.0
212.03531	1.1
213.04361	10.7
214.59100	1.1
216.03014	1.9
227.05934	7.7
231.05357	6.3
233.10506	1.9
245.06877	3.8
251.11568	5.9
279.23108	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	279.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65099	1.0
53.00261	1.0
54.91446	0.8
55.05230	0.9
55.05456	16.0
56.96490	5.0
57.07006	13.8
64.32908	0.8
65.03468	0.8
65.03849	2.2
67.05424	66.2
69.06982	11.8
70.07314	1.1
71.49333	0.8
71.95123	0.9
79.05405	7.8
81.06966	50.7
83.04907	1.4
83.08528	5.3
85.06413	1.0
91.05378	2.1
93.06962	8.2
95.08530	34.3
97.10089	1.7
98.97499	8.6
107.08515	4.6
109.10099	8.4
110.97497	1.2
116.98534	9.1
121.02777	7.3
123.11687	2.3
128.98557	1.6
131.08540	2.3
133.10098	1.3
134.99641	8.0
135.11691	1.1
136.93115	1.5
137.13246	1.5
146.99628	5.8
147.11671	1.7
149.02304	100.0
153.00681	1.6
154.94164	6.6
156.03581	1.1
158.48692	1.0
163.85956	1.0
165.00720	1.2
167.03331	2.5
172.95198	24.2
177.00645	5.8
189.00598	2.2
190.96217	26.4
192.91129	1.7
209.15242	1.2
210.92136	5.1
210.96854	1.9
212.08530	1.0
219.05794	1.6
228.97830	4.9
246.98828	5.4
253.20103	1.1
279.09247	1.6
279.23035	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	279.2315
Annotation	4-[3-(4,8-Dimethyl-3,7-nonadienyl)-3-methyloxiranyl]-2-butanone
Peak:m/z	Relative Intensity
53.19403	1.3
55.05432	7.3
56.18266	1.4
56.96507	1.7
57.06997	9.3
65.03867	2.4
65.64832	1.3
67.05424	80.9
68.06296	1.7
69.06967	7.9
71.04911	1.7
79.05392	9.9
81.06970	73.7
81.72993	1.5
83.08498	1.7
93.06941	7.5
95.08522	43.2
99.09425	1.6
107.08533	3.6
108.86739	1.5
109.10102	22.6
116.98492	1.6
121.02796	8.1
123.11646	9.4
136.77563	1.7
137.13203	2.2
149.02307	100.0
157.35434	1.5
167.03229	1.7
279.23077	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	279.2316
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
51.51664	0.5
55.05450	8.9
56.59151	0.6
56.96509	0.9
57.06994	3.5
65.03867	1.7
67.05426	100.0
67.96203	0.8
69.06983	6.2
71.04903	0.9
79.05399	15.1
81.06972	87.4
81.71121	0.8
83.04874	1.4
83.08525	3.9
85.35432	0.6
89.11349	0.8
91.05396	3.8
93.06976	11.9
95.04891	0.9
95.08531	63.2
97.06426	1.2
97.10065	1.2
98.97511	2.9
105.06968	1.6
107.08530	6.4
109.10099	17.9
116.98548	1.3
119.08522	1.7
121.02821	1.2
121.10088	4.6
123.11634	8.7
127.07501	0.9
128.98549	1.0
131.08510	5.6
133.10103	1.5
135.11627	3.8
137.13220	5.2
145.10118	1.3
146.99640	1.1
147.11615	1.6
149.02315	19.5
149.13213	3.4
151.14807	1.7
159.11644	1.3
163.11139	1.2
165.16376	0.8
173.13202	3.4
177.00664	0.8
177.12700	0.9
177.16272	0.8
209.15222	1.6
210.92050	1.7
223.16861	1.1
243.20998	1.3
261.22037	1.0
279.23114	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	280.0852
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96497	74.9
57.06995	3.1
65.03306	0.6
65.03839	0.6
67.05435	0.9
67.69054	0.6
71.95170	4.2
72.95947	1.2
74.97523	0.9
79.05402	0.6
81.06944	1.2
84.95921	0.9
85.02830	0.7
91.05381	0.8
92.10303	0.9
92.63994	0.6
95.08501	0.7
98.97518	3.7
102.14549	0.6
116.98554	3.1
121.02776	1.5
131.00082	1.1
131.99498	0.7
133.94572	0.7
134.99637	1.6
146.99628	1.6
148.00346	0.7
149.01224	1.4
149.02293	29.9
150.02647	6.6
165.02115	1.2
171.03239	3.9
177.00621	1.1
183.03247	14.8
183.06900	5.2
189.04219	0.8
195.06837	2.8
197.04794	0.9
201.04289	11.7
201.07918	1.3
205.03745	0.8
209.04817	1.0
211.06348	5.3
211.84531	0.6
213.05882	1.2
213.07910	31.1
217.82970	0.6
225.04297	0.8
229.07443	4.0
231.08972	100.0
239.05786	4.9
244.83749	0.7
249.09911	7.6
254.10599	2.8
257.06879	30.9
275.07941	36.6
275.10974	1.5
275.55746	0.6
286.75003	0.7
298.09555	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1289
Annotation	Phe-Asn
Peak:m/z	Relative Intensity
54.81762	1.1
60.58574	1.0
61.01049	1.3
69.03339	2.6
70.02869	13.8
70.06481	2.3
79.05402	5.5
79.13534	1.2
84.08057	2.0
86.09629	1.6
87.05515	45.8
88.03946	2.8
91.05401	100.0
92.54854	1.1
97.02834	2.3
98.02333	5.1
98.97505	4.7
103.05396	37.3
107.04880	12.3
116.98524	1.9
117.22848	1.3
120.08052	79.3
123.07894	4.8
123.57938	1.2
128.98584	1.8
129.06966	7.6
130.06482	13.6
131.04868	12.0
135.97577	1.2
144.08049	6.5
145.06471	2.7
146.05882	1.1
146.99672	1.3
147.09154	7.3
149.02328	7.7
149.05978	6.9
150.02666	2.7
154.06503	6.0
157.06458	13.1
166.08618	13.0
172.07539	28.2
175.08626	59.3
177.00688	2.2
182.05969	33.7
200.07030	81.7
203.08141	1.7
217.09695	1.5
221.09172	21.5
228.06577	1.9
234.12360	6.8
245.09206	2.6
246.07555	31.2
263.10196	17.6
280.12720	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	280.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00244	0.6
56.04972	0.6
57.07004	0.5
59.22583	0.4
61.02858	0.7
68.04946	9.3
69.03344	1.9
69.05726	18.2
70.02860	0.5
70.06506	7.7
72.08062	2.0
73.06458	5.1
73.75860	0.4
74.01416	0.3
75.76390	0.4
80.55546	0.4
84.04420	1.0
84.08066	5.7
85.02821	3.9
85.05206	0.6
86.09611	3.4
87.36498	0.4
97.02810	0.7
100.07543	100.0
110.07137	0.8
118.08617	0.7
119.06786	0.6
120.08022	0.5
121.02776	0.5
129.10202	2.3
146.05980	0.5
147.06340	0.9
149.02312	7.0
150.02654	2.1
156.08031	1.6
157.08418	0.6
183.09119	0.4
184.09514	1.0
189.07359	0.4
229.09647	0.7
230.10039	1.5
238.40509	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54640	0.9
53.03880	1.5
54.81956	1.4
55.01799	2.0
55.38989	0.9
55.93442	4.7
56.94233	4.2
56.96493	4.7
68.94212	1.4
70.95776	31.1
72.93698	68.0
81.03342	2.1
82.95734	2.0
88.96822	15.8
90.94743	41.6
98.97527	9.6
99.96064	1.3
100.96812	1.6
105.98556	1.2
106.97876	6.0
108.95786	9.4
113.96349	12.5
116.96339	1.9
116.98544	10.3
118.94330	1.0
128.96304	15.4
129.82520	1.1
131.97382	8.9
132.95782	12.0
134.97345	6.5
134.99590	6.2
136.95247	1.6
140.72034	1.2
142.97847	26.9
144.95851	3.9
144.99396	1.7
146.97377	19.2
149.02271	1.4
150.96849	35.7
152.96237	1.4
153.00768	1.5
156.95789	1.9
158.01204	1.4
160.98920	33.2
162.96873	12.2
168.97954	1.2
170.97339	55.8
172.95157	2.1
172.98907	2.2
174.96812	5.9
184.95248	2.3
186.96861	5.0
188.98402	97.4
190.96371	2.8
191.00035	4.6
192.97881	4.5
193.98807	1.3
198.96835	23.8
202.96356	11.1
204.97961	9.3
207.96988	1.9
208.88153	1.3
209.98386	5.9
210.92116	2.7
216.97897	88.8
225.97903	1.7
227.99495	4.7
234.92076	2.0
234.98933	100.0
239.99463	77.4
258.00558	37.6
281.02100	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	281.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53370	0.7
55.05444	3.8
56.96493	4.8
57.03355	1.3
69.03342	3.7
69.06976	2.1
70.41365	0.9
73.02819	1.5
78.04618	1.3
79.05403	1.8
81.06970	3.9
83.08540	1.2
84.40272	0.9
85.02803	4.4
91.05381	3.5
91.28821	1.1
92.10944	2.8
93.06956	1.9
95.04914	1.1
95.08540	1.7
97.02824	1.2
97.13374	0.9
98.97517	7.9
105.06975	1.8
106.04112	1.4
107.04288	1.3
107.04910	20.9
116.98561	8.6
119.01889	1.8
134.03580	2.2
134.99615	6.5
135.04370	7.1
149.02325	3.4
150.02652	1.3
158.99509	1.0
161.02869	1.4
162.03090	29.0
163.03888	11.0
167.07069	1.0
177.00664	4.9
179.03372	6.6
180.04048	1.7
189.00691	1.0
190.02570	35.6
191.03294	1.1
194.02005	2.0
195.06488	1.3
207.02953	13.4
208.03644	19.3
216.94997	1.0
223.05986	100.0
224.06400	1.7
273.10049	1.0
274.33725	1.0
281.10190	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35245	0.3
54.03413	1.8
55.04194	2.7
55.05448	0.6
56.04971	1.8
56.25971	0.3
56.77729	0.3
58.08067	0.3
61.01077	0.9
64.32343	0.3
66.45882	0.3
69.03348	0.8
69.06982	0.5
70.02843	0.4
70.06490	0.7
81.04455	12.8
82.05242	8.7
82.79576	0.3
85.02811	0.4
87.05521	0.9
91.05405	2.6
92.05753	0.7
97.02796	0.7
97.07531	0.4
98.97517	0.4
103.05398	0.7
104.05258	1.5
108.05529	0.6
110.07079	0.4
120.08060	2.6
121.08362	0.5
122.07101	14.7
123.07883	100.0
136.06169	1.4
160.04196	0.7
165.07655	5.4
175.08643	0.6
176.09041	0.6
181.72684	0.3
200.07098	1.9
201.07243	0.5
234.33824	0.4
258.22891	0.4
281.10593	32.3
304.94748	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1128
Annotation	Asp-Phe
Peak:m/z	Relative Intensity
50.35145	0.4
50.88636	0.4
55.01809	0.6
55.05453	0.3
56.96486	0.6
57.03354	0.8
59.04924	0.5
60.04434	0.4
61.02851	0.5
69.03338	2.7
70.02872	3.4
70.06510	0.5
70.91605	0.4
72.08054	0.5
73.02835	1.8
79.05414	0.8
83.08550	0.5
85.02821	3.8
85.99204	0.4
87.04379	0.4
88.03906	27.7
91.05399	17.5
93.06973	0.7
97.02807	1.9
98.02357	0.6
98.97513	6.0
99.00755	0.6
99.04364	0.6
100.85329	0.5
103.05391	10.2
106.99630	0.5
107.04881	2.8
110.01174	0.5
116.98551	2.3
119.01738	1.0
120.08047	100.0
121.08382	1.7
128.02272	0.7
128.98517	1.4
129.06985	1.0
130.06464	6.9
131.04872	4.5
134.99626	0.8
136.06148	2.7
144.08064	2.3
145.06444	0.7
146.99593	0.7
147.09143	0.5
149.05965	2.3
150.07697	4.6
154.06468	0.8
157.06464	1.9
158.99608	1.9
161.01184	0.5
161.02744	0.6
166.08595	17.7
166.10007	0.6
170.99545	0.7
172.07521	4.3
175.08617	10.3
177.00690	2.8
182.05927	4.3
189.00674	1.5
190.08562	0.7
197.99246	0.5
200.04320	0.8
200.06989	10.8
200.08746	0.6
200.98187	0.4
217.09622	0.9
219.01611	0.9
221.09195	2.4
228.06589	0.5
235.10689	8.0
243.40935	0.4
246.07558	4.9
263.10172	1.7
281.11319	3.2
281.14246	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2471
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
55.05451	71.4
57.07007	25.0
67.05422	43.7
69.06602	3.5
69.06982	100.0
72.26543	1.6
79.05397	11.4
81.06969	49.4
83.04888	4.2
83.08535	45.0
85.06448	11.9
85.10083	2.1
91.05392	15.6
93.06959	24.8
95.08530	46.4
97.06454	4.6
97.10088	27.2
105.06980	16.3
107.08531	19.8
109.10095	21.7
111.08053	2.1
111.11633	12.0
119.08511	15.6
121.10088	11.4
123.11652	8.5
133.10103	20.2
135.11627	4.0
137.13206	2.2
147.11646	11.1
149.13173	3.6
151.11139	2.5
157.10010	1.9
157.73244	2.2
161.13228	4.9
165.12685	2.4
169.10075	2.2
171.11693	3.1
175.14751	3.1
197.13197	9.2
199.11110	2.6
213.12680	9.4
221.13239	9.4
231.12323	2.0
235.14787	9.8
245.22571	14.5
263.17841	11.5
263.23560	13.5
281.18973	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05433	1.9
56.96506	16.6
65.06560	1.0
67.05434	1.1
69.06974	2.6
70.18722	1.3
81.06985	1.2
83.08530	2.6
98.97513	57.9
98.98158	1.9
116.98576	78.1
119.01845	1.8
134.09651	1.5
134.99629	100.0
137.02937	2.9
153.00676	32.3
156.97368	1.5
158.01215	1.8
174.98517	5.8
216.99748	2.3
236.98326	1.9
258.99646	12.1
277.00763	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01820	0.6
55.05437	0.5
56.04973	0.3
56.54827	0.2
56.96496	0.4
57.03368	0.2
61.01063	0.3
69.03338	0.5
69.06979	0.4
70.02866	0.6
70.06498	2.7
71.01257	3.4
71.04918	0.3
72.08057	1.2
74.05970	0.4
74.09627	0.4
79.05402	1.2
80.01284	0.3
84.04431	0.4
84.08059	2.8
85.02820	1.6
86.09643	2.1
87.09980	0.3
88.03836	0.3
89.02298	1.3
91.05405	3.0
92.10358	0.3
93.06977	1.7
95.04879	0.4
97.02824	0.5
98.02375	3.2
98.97508	1.2
103.05402	16.0
104.04928	0.5
107.04868	2.3
110.07121	1.2
112.08698	0.3
115.05428	0.4
116.98563	1.2
117.06958	1.5
118.06501	0.3
119.04881	2.5
120.08054	100.0
121.06419	0.3
121.08385	0.3
128.06149	0.5
129.06950	3.9
129.10202	1.1
130.06511	1.8
131.04906	3.4
134.99635	1.2
137.05948	0.5
144.08089	3.8
145.06422	2.4
146.06012	1.7
148.07579	1.1
154.06464	3.2
156.07854	0.4
157.05316	0.5
157.06464	6.5
158.06004	0.4
165.13658	0.3
166.08615	1.6
172.07521	12.9
173.06023	2.1
176.07091	0.3
177.00732	0.3
182.05974	9.0
190.08601	6.8
200.07030	17.9
201.05428	1.3
217.00203	0.3
218.08083	13.9
236.09119	10.2
236.11388	0.4
246.07625	2.8
264.08600	2.6
282.09802	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2053
Annotation	(2E,4E,6Z)-7-(7,7-Dimethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3-methyl-octa-2,4,6-trienal
Peak:m/z	Relative Intensity
55.05437	26.5
56.96276	3.2
56.96504	46.8
57.07003	8.4
60.95774	9.9
67.05418	19.8
67.53517	4.1
69.06977	24.0
72.91347	4.1
79.05397	22.4
80.28909	4.2
81.06960	37.4
83.08524	19.4
86.52425	5.2
91.05405	9.7
92.10201	4.2
93.06954	24.0
95.08537	29.4
97.10091	6.2
98.97510	6.8
105.06975	100.0
107.08508	36.3
109.10083	26.0
116.98541	9.2
119.08540	37.0
121.06455	35.7
121.10047	30.7
123.11631	40.2
129.06990	7.8
131.08563	60.0
133.10069	22.9
134.99591	16.6
135.11664	23.5
142.07733	7.5
143.08517	43.1
145.10123	55.1
147.11652	5.7
149.13213	5.5
155.08517	8.5
156.09334	8.3
157.10107	60.5
159.11656	16.1
171.11667	36.5
173.01221	5.4
173.13184	5.2
183.11710	6.7
185.13202	18.1
187.14865	6.9
189.00627	16.1
197.13235	18.6
199.14790	8.4
201.00621	5.6
209.13211	4.9
213.12788	7.0
219.01706	8.9
227.14362	5.0
241.19415	33.0
255.21056	6.9
265.19305	7.5
283.20551	75.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0986
Annotation	Guanosine
Peak:m/z	Relative Intensity
55.01805	0.4
57.03363	0.4
59.04913	0.3
59.76088	0.2
61.02842	0.3
64.33398	0.2
69.03336	0.9
70.06510	0.2
73.02822	0.3
75.87601	0.1
78.25178	0.2
80.25761	0.1
81.03345	0.3
85.02831	3.2
93.99738	0.2
94.60954	0.2
97.02816	0.9
109.05029	0.3
110.03477	2.6
127.03888	0.2
128.04535	1.9
132.44679	0.2
134.04565	0.3
135.02977	5.7
145.04887	0.4
152.05644	100.0
153.04051	12.4
153.05952	0.6
154.02495	0.2
201.49925	0.2
204.84779	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88741	1.6
54.81264	1.8
58.10427	1.4
59.01882	1.8
73.39095	1.9
87.64641	1.6
92.10771	1.6
141.05022	1.8
143.99353	1.8
163.89577	1.9
257.10007	8.7
284.11005	100.0
284.14209	3.6
288.26239	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1391
Annotation	8-Hydroxyergine
Peak:m/z	Relative Intensity
51.82857	0.7
53.03899	1.1
54.03415	8.7
55.01799	4.6
56.04968	1.1
56.96502	12.1
57.07005	4.8
60.37948	0.8
63.52493	0.7
67.05444	0.8
70.02865	13.5
71.08541	2.0
79.22761	0.7
80.04919	8.5
82.02864	10.0
82.06486	14.7
84.04426	4.6
93.06918	0.8
96.04433	0.8
98.05981	0.8
98.97510	4.6
99.05509	100.0
100.03910	74.4
106.06456	1.2
108.04420	53.6
116.98543	5.8
118.06455	3.2
120.77900	0.7
124.03935	3.4
125.07072	40.1
129.06946	5.5
129.92365	0.7
130.06451	4.9
134.99622	5.4
143.00108	1.2
143.08533	1.8
144.08040	1.6
153.00711	1.6
153.06956	1.7
154.06491	0.9
155.00111	1.2
155.07227	4.8
156.08066	7.6
158.09521	1.3
160.07571	3.6
161.01158	5.8
167.07323	1.1
168.08052	45.4
170.09610	57.4
170.99580	1.0
173.01201	9.5
180.08051	12.8
184.07451	1.3
189.00648	9.8
191.02261	3.9
194.09624	8.0
195.09174	1.3
196.07632	1.0
198.09094	10.9
201.00703	4.6
204.08115	3.4
206.09674	1.1
207.01712	7.8
207.09242	1.0
211.12234	0.9
219.01720	5.8
221.10672	3.5
222.09044	2.0
223.08649	6.3
231.01630	1.2
237.02713	4.4
239.11818	3.5
249.02811	1.4
249.10184	6.2
253.08528	0.8
261.02740	4.5
266.12860	7.5
267.11169	14.7
275.87250	0.9
284.13870	69.4
284.21906	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	284.2945
Annotation	Stearamide
Peak:m/z	Relative Intensity
54.81547	0.8
57.07015	13.2
58.12643	0.7
59.07119	0.7
69.06983	1.1
69.61147	0.8
71.08530	4.6
72.02843	0.7
72.04414	5.2
85.10093	1.1
95.08537	0.9
102.09104	4.9
116.10680	8.1
117.46355	0.8
130.12273	3.1
151.19315	0.8
162.34569	0.8
197.59335	0.8
279.93820	1.0
284.29419	100.0
284.32761	5.1
285.29916	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2945
Annotation	Stearamide
Peak:m/z	Relative Intensity
54.81954	2.5
57.07006	21.4
58.06525	2.1
59.65643	1.8
60.04444	3.2
60.08093	31.0
64.04424	2.2
71.08537	9.5
74.09285	2.1
74.09630	38.1
85.10062	3.5
132.31052	2.2
141.90858	2.3
282.90579	2.4
284.26236	3.5
284.29370	100.0
284.32983	85.9
296.75330	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	284.2943
Annotation	Stearamide
Peak:m/z	Relative Intensity
51.53382	0.6
57.07005	11.1
59.20665	0.6
63.65640	0.7
64.62028	0.7
70.13175	0.8
71.08531	3.7
72.04424	9.4
85.10112	0.8
102.09114	3.7
116.10655	6.6
130.12276	2.8
139.98262	0.7
161.74734	0.8
222.99025	0.9
224.51883	0.9
284.29407	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.2947
Annotation	Aldimorph
Peak:m/z	Relative Intensity
53.67131	1.0
55.05449	1.5
56.93130	1.0
57.07013	35.3
58.06517	2.6
60.08099	40.6
62.31154	1.4
66.25565	1.2
67.05422	1.4
71.08536	10.2
71.64428	1.1
74.05984	6.7
76.56380	1.7
84.09830	1.2
85.10096	2.2
88.07567	20.4
91.95445	1.3
102.09097	9.3
104.99173	1.4
116.10688	1.4
117.44912	1.2
127.91208	1.2
130.17377	1.1
152.05649	1.6
228.23189	43.9
253.98134	1.2
257.34143	1.8
284.29407	81.9
284.33020	100.0
285.07596	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00248	0.4
53.03878	0.7
54.81702	0.3
55.01811	2.8
57.03373	4.9
57.06996	0.4
58.80687	0.3
59.67080	0.3
65.03853	0.5
67.05408	0.5
68.80251	0.3
70.06491	2.1
72.08069	0.5
75.04371	0.6
78.54777	0.3
79.05405	5.3
80.06218	0.5
81.06925	0.5
84.04408	0.4
84.08052	3.5
85.02800	0.3
86.09626	1.6
91.05402	16.6
93.03320	0.5
93.06963	2.0
95.04887	2.6
97.06484	0.7
103.05403	5.7
105.03324	2.3
105.06263	0.7
105.06966	16.0
106.04104	3.1
107.04197	0.6
107.04893	9.0
108.05659	1.9
109.06466	3.4
110.03554	0.4
110.07127	1.3
115.05359	3.0
118.04137	2.4
118.06473	2.0
119.04082	0.7
119.04894	15.4
120.08032	0.8
121.06448	7.8
122.03595	0.3
122.07199	1.6
123.04359	1.6
123.08011	2.6
125.02285	0.8
125.05943	3.1
129.10185	1.4
131.04808	0.5
132.05632	0.5
133.06454	14.5
134.03575	3.0
135.04395	6.3
136.05168	6.5
137.05949	2.1
138.03018	1.4
140.04659	10.7
143.06024	0.6
146.05994	1.3
147.04417	2.8
149.05943	9.1
150.06743	0.7
151.07524	6.4
152.04649	1.2
153.05435	100.0
154.06052	1.5
161.04610	0.6
161.05936	15.9
163.03818	1.4
165.05411	1.4
166.06067	0.4
167.06999	15.6
168.07774	58.3
176.63644	0.4
177.05418	2.0
178.06151	0.5
179.07021	3.9
181.08583	2.0
193.08553	13.0
196.07268	31.6
201.38814	0.4
209.08041	2.6
211.09607	16.8
219.14944	0.3
285.13196	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.133
Annotation	Clonostachydiol
Peak:m/z	Relative Intensity
53.03868	0.6
55.01799	2.6
56.58245	0.4
57.03370	6.1
65.03841	0.9
67.05391	0.5
70.06499	0.7
73.29012	0.4
75.04374	0.6
76.86978	0.4
79.05396	5.3
79.36105	0.4
80.06158	0.8
80.10180	0.4
80.42239	0.4
81.06975	1.1
83.73544	0.4
84.08068	0.7
86.09613	1.1
91.05405	15.7
93.06959	2.8
95.04884	2.8
103.05398	4.4
105.03314	2.7
105.06973	14.9
106.04091	2.3
107.04897	7.9
108.05709	1.6
109.06423	3.6
110.07109	0.9
114.32804	0.5
115.05424	3.7
118.04113	2.3
119.04896	16.0
121.06438	7.3
121.10089	0.7
122.03553	0.6
122.07236	0.9
123.04312	0.5
123.08016	1.8
124.05154	0.5
125.05996	1.0
131.04901	0.9
131.17433	0.4
133.06439	10.8
134.03584	4.1
135.04381	7.6
136.05150	6.0
137.05936	2.0
138.03139	0.7
140.04663	10.1
143.06053	0.6
147.04387	2.6
149.05954	9.1
150.06718	0.6
151.07533	7.4
152.04703	0.9
152.08249	0.5
153.05440	100.0
154.06062	0.9
161.05937	14.0
163.03857	1.0
165.05461	1.1
165.06905	0.5
166.06252	0.5
167.06996	13.8
168.07779	62.5
177.05414	1.0
179.07013	3.5
181.08578	1.8
182.09413	0.6
193.08536	13.9
196.07275	28.9
209.08066	1.9
211.09608	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	285.1483
Annotation	1,3-Di-O-[2',2'-di-(p-phenylene) isopropylidene] glycerol
Peak:m/z	Relative Intensity
55.58709	0.2
56.96494	0.5
65.60953	0.3
68.84653	0.3
69.06977	0.5
71.04854	0.5
73.06467	0.3
77.37669	0.2
79.05390	0.3
81.06958	0.3
87.39070	0.3
91.05398	0.4
100.11165	2.8
102.01717	0.3
105.06983	0.6
116.49287	0.3
117.06902	0.4
117.13856	0.4
129.06955	0.4
130.07780	0.4
145.10086	8.3
145.11102	0.5
155.08562	4.8
158.07220	12.4
158.08449	0.6
159.07971	1.3
173.09564	10.8
175.07474	0.4
181.06372	0.4
182.07173	0.5
188.08215	0.6
193.10065	0.4
195.08012	1.3
197.09602	0.7
200.23325	0.3
201.09065	100.0
202.09424	0.4
209.09615	3.4
209.96873	0.3
210.10283	2.1
210.54156	0.4
211.07477	0.7
211.11064	0.5
215.10696	0.6
223.07541	0.6
224.08331	0.4
224.11897	3.2
225.09055	3.5
225.12663	1.5
227.10619	0.6
234.10260	0.5
237.09026	9.1
238.09805	2.4
239.10574	3.8
239.14331	1.5
249.12701	1.6
251.10602	5.0
252.11383	19.4
253.08730	0.3
265.12216	1.2
267.13724	35.0
285.12015	0.6
285.14783	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	285.2208
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
53.03886	2.8
55.05441	13.4
56.96486	6.4
57.06995	12.7
57.71301	2.6
59.04906	3.4
67.05421	28.0
69.03329	2.8
69.06979	22.1
79.05402	28.0
79.89679	2.6
81.06972	32.2
83.04878	4.5
83.08522	19.8
91.05389	33.0
92.10288	5.0
93.06950	39.7
95.04861	4.4
95.08539	53.3
105.06966	50.7
107.08537	37.9
109.10115	53.0
115.05418	3.2
117.06960	32.5
118.46355	3.0
119.08527	42.8
121.10075	21.1
129.06970	27.5
129.07764	3.7
131.08533	74.4
133.10095	37.1
135.11644	6.6
141.06920	4.7
142.07773	3.9
143.08534	52.1
145.10074	39.1
147.07906	3.0
147.11627	15.2
155.08508	21.1
157.10062	30.7
159.11647	23.8
161.09605	5.3
161.13148	13.4
165.06934	5.1
169.10054	18.7
171.11652	24.2
173.09586	3.8
173.13231	18.4
183.11685	24.6
185.13174	7.7
187.14752	7.4
189.12737	4.6
197.13165	24.0
199.14752	5.2
201.12579	4.0
211.14772	17.2
213.16238	4.4
215.14313	4.5
225.16290	7.2
227.17906	15.9
229.15750	3.7
239.17868	12.9
241.19395	4.6
253.08388	4.4
267.20981	47.2
285.22043	100.0
301.17099	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05462	19.0
56.96510	60.9
57.07008	39.6
67.05411	44.1
69.06998	27.0
70.41227	17.3
76.72526	18.9
77.16726	17.4
77.36364	18.8
79.05395	24.7
81.06970	100.0
91.05418	22.5
93.06950	20.3
95.08537	78.7
105.06974	89.0
107.08523	38.3
109.10107	75.3
116.98548	19.6
119.08531	40.0
121.10039	29.3
131.08524	71.0
145.10075	22.6
190.96098	18.9
252.73132	21.9
253.08554	20.0
285.07526	39.7
285.22009	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	286.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81503	52.7
64.33163	56.7
81.45000	57.0
129.50217	57.0
156.83273	59.5
200.13153	57.8
286.07123	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.176
Annotation	Leu-Gly-Pro
Peak:m/z	Relative Intensity
51.89350	0.4
52.80999	0.5
55.05465	1.0
56.04979	1.1
56.31477	0.4
57.30074	0.4
57.67768	0.4
60.04457	0.4
61.01065	0.5
62.16510	0.5
63.68916	0.4
65.76710	0.4
69.07006	0.6
69.30387	0.4
70.06513	85.5
70.59078	0.4
71.06850	1.3
72.08083	4.2
72.55814	0.4
72.82909	0.6
72.93724	0.5
75.05522	1.0
75.91254	0.4
79.05405	2.7
84.04457	1.2
84.08069	9.2
85.08412	0.8
86.09634	99.0
88.03905	1.1
91.05411	1.1
93.15468	0.5
98.13356	0.5
103.05360	0.7
107.04903	3.4
110.07110	2.6
116.07050	100.0
119.01930	0.6
120.08066	2.5
129.10233	4.5
130.06477	0.6
137.06049	0.6
142.12315	0.7
143.11786	33.2
171.11276	3.8
174.06740	2.3
233.08070	2.8
236.46884	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3099
Annotation	ES-285
Peak:m/z	Relative Intensity
53.00249	0.5
54.71595	0.7
54.81742	0.5
55.05439	1.1
55.64805	0.5
56.96488	0.8
57.06737	1.1
57.07007	26.5
58.06530	4.2
62.06010	12.5
71.08543	11.9
72.93722	0.5
74.06004	0.8
85.10098	1.3
86.05965	0.7
125.25034	0.5
138.52904	0.7
142.13080	0.6
156.17464	2.6
161.03003	0.7
165.24980	0.7
174.18510	7.7
205.99112	0.6
212.23669	11.8
230.24725	54.6
268.26193	0.6
286.30960	100.0
287.31174	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3101
Annotation	ES-285
Peak:m/z	Relative Intensity
56.04959	0.6
56.96495	0.7
57.07007	13.2
58.06522	2.6
70.06522	1.3
71.08540	5.2
72.08064	39.8
78.49902	0.5
85.10082	2.4
88.07543	2.6
88.43093	0.6
90.09111	28.7
95.08551	0.7
149.01175	0.7
172.95198	3.0
177.38698	0.6
190.96265	2.1
230.24692	0.9
240.26370	0.6
242.28249	1.1
246.98944	0.7
286.30963	100.0
287.31216	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05714	0.7
55.05451	1.1
57.06734	1.4
57.07005	34.3
58.06518	4.2
61.93563	0.8
62.06013	16.8
69.06975	1.1
71.08537	15.7
83.96243	0.9
85.10089	1.2
90.78178	1.0
95.24060	1.0
98.01891	1.0
108.76683	1.0
116.22040	0.8
156.17407	1.0
174.18451	6.3
212.23695	16.7
225.49693	1.0
230.24733	64.3
240.62772	0.9
286.30951	100.0
287.31299	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01812	3.2
55.05444	12.0
56.04961	11.0
56.96493	11.2
60.04446	5.7
60.05568	16.3
60.08078	2.3
61.01083	2.5
63.84703	2.1
67.05415	3.2
69.03343	5.2
69.06976	24.1
70.06503	100.0
71.04875	2.6
71.06826	6.0
72.08062	57.9
75.05528	4.5
79.05380	4.5
83.05991	3.7
84.04420	25.7
84.08064	67.0
85.02821	4.2
85.28272	2.7
86.09622	77.6
87.04375	3.0
87.09943	5.6
88.03909	13.9
91.05406	3.1
95.08536	4.6
97.02783	4.0
98.97505	12.4
102.05453	3.4
102.89219	3.5
107.04872	12.8
110.07125	33.0
112.08665	3.4
116.07042	33.6
116.98566	16.7
117.07384	4.8
120.07995	12.5
124.07574	3.7
129.10190	36.5
130.06416	4.2
130.08603	3.3
133.67738	2.6
134.99615	4.9
137.05957	4.5
143.11751	12.1
146.99670	3.0
158.99623	3.4
160.30730	3.0
170.83476	2.6
176.84189	2.4
177.00645	6.2
182.15375	4.3
195.01639	2.9
223.07494	3.5
237.51712	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	287.1639
Annotation	TBS-Corey Lactone Aldehyde
Peak:m/z	Relative Intensity
51.36932	0.2
52.77039	0.3
53.03877	0.2
53.16857	0.3
55.01803	0.5
55.05439	1.8
56.96507	0.4
57.06995	0.4
59.04922	1.5
59.37819	0.2
67.05417	1.6
69.06647	0.4
69.06988	5.6
71.04897	0.3
71.89347	0.3
79.05405	1.0
81.06965	2.0
83.04902	8.2
85.06465	1.2
91.05406	1.3
93.06963	1.3
95.08517	1.4
97.06470	6.6
99.07981	0.4
103.05395	0.7
105.06991	3.3
107.08533	1.3
109.10105	2.4
117.06953	0.5
119.08504	1.4
121.06465	3.6
131.08578	0.4
133.06450	0.6
133.10114	1.7
135.04391	13.2
135.07999	2.5
137.09589	1.2
141.07022	0.3
143.08533	0.6
145.06430	0.5
145.10095	0.7
145.97679	0.3
146.07236	2.0
147.08057	7.3
151.11200	0.4
157.10081	0.4
158.07254	1.3
159.07979	3.4
159.11626	0.4
161.05914	1.9
161.09587	18.9
161.10938	0.6
163.07550	0.5
170.07239	0.4
171.07957	2.8
172.08807	1.6
173.09619	3.3
174.06760	0.3
175.07518	12.7
176.08243	1.3
177.05457	0.5
177.09094	0.5
183.08131	0.4
185.09584	22.9
186.10265	0.6
187.07489	2.7
187.11148	2.7
189.09064	2.9
193.10114	0.5
196.08792	0.6
198.10388	0.3
199.11122	4.3
201.09094	6.8
201.12790	1.1
203.10732	0.5
205.14482	0.3
209.09634	0.7
211.11168	1.8
212.11971	1.2
213.09013	0.7
213.12700	2.4
214.09833	1.3
215.10416	0.3
225.09296	0.3
225.12752	0.4
226.13474	0.5
227.10670	2.1
227.14224	3.2
229.12253	2.2
236.11906	0.7
239.10553	1.1
240.11292	0.7
241.12352	0.3
241.15878	1.4
251.14250	1.5
254.13002	1.3
269.15109	0.6
287.16360	100.0
288.16748	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37265	0.2
54.83163	0.2
55.05438	1.2
55.31780	0.2
56.96499	1.0
59.98066	0.2
67.05421	0.6
69.03314	0.3
69.06966	1.6
70.91203	0.2
76.88096	0.2
79.05389	1.0
81.06978	2.1
83.08547	0.4
88.84367	0.2
91.05393	2.5
93.06989	1.8
95.04876	0.3
95.08522	1.7
97.02780	0.3
98.97516	0.6
99.08047	0.3
103.05402	0.9
105.06981	5.0
107.08546	2.2
109.10107	1.5
116.98569	1.0
117.06964	1.4
119.08561	1.9
121.06452	0.5
121.10078	0.5
129.06979	0.3
130.07738	0.4
131.08557	1.8
133.06432	0.3
133.10048	1.0
134.07251	1.0
134.99596	0.4
135.08015	27.7
137.05919	0.3
143.08530	1.0
145.06465	0.9
145.10098	8.7
149.09465	0.3
153.06909	0.3
155.08528	3.3
157.10031	0.3
158.07243	9.5
159.07977	0.5
159.11662	0.3
161.13220	0.3
163.07585	0.3
167.08575	0.4
171.08075	0.3
171.11603	0.3
172.08740	0.4
173.09569	9.0
173.13113	0.4
185.09547	1.3
187.11188	0.3
187.14700	0.3
199.11122	1.0
201.09070	100.0
202.09380	1.1
208.08888	0.3
209.09534	0.5
211.07571	1.6
212.08269	0.4
213.09059	0.6
213.16373	1.0
223.11115	0.5
225.09111	1.9
225.12712	0.2
226.06247	0.2
226.09877	1.9
227.10651	1.8
239.10606	0.5
240.11383	0.4
241.12186	2.1
251.14224	1.0
254.12849	0.5
261.39481	0.3
269.15326	5.0
269.22604	1.2
287.13217	0.7
287.16330	8.0
287.23621	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01813	21.0
55.05452	13.6
56.96497	3.9
57.03359	3.0
67.05428	16.0
69.03345	2.7
69.06980	5.0
71.04551	0.8
71.04906	17.8
72.02950	0.5
72.08072	0.8
72.18171	0.5
73.02823	0.7
75.04363	0.6
79.05411	10.5
81.03330	1.2
81.06974	13.0
83.04903	0.8
83.08543	4.7
85.06471	2.8
87.04384	3.2
90.00522	0.8
91.05402	5.5
93.06967	8.8
95.04887	2.4
95.08535	5.9
97.02815	0.8
97.06461	100.0
97.10098	4.8
98.06800	0.8
98.97502	4.3
103.05373	0.8
105.06971	4.6
107.04861	1.0
107.08553	6.2
109.06417	0.8
109.10108	8.4
111.07981	2.2
116.98559	4.3
117.06954	4.2
119.08536	1.5
121.06447	0.9
121.10091	2.7
123.08009	2.5
125.09565	1.4
129.03229	0.7
131.08507	4.2
133.10085	3.2
134.99622	3.5
135.08022	1.3
135.11641	3.1
137.05923	1.1
145.10045	0.8
146.99713	0.7
157.10269	0.8
159.11708	1.2
177.00644	2.8
177.12740	1.0
186.26144	0.7
193.15668	0.9
195.13773	14.8
213.14795	3.4
269.17401	2.7
287.18494	22.6
287.23477	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03874	1.0
55.01808	23.4
55.05447	19.2
56.96498	5.1
57.03375	7.3
57.07011	0.6
67.05074	0.8
67.05424	14.4
69.03347	4.8
69.06984	6.6
70.06490	0.7
71.04903	23.6
75.04417	0.5
75.53986	0.5
79.05396	12.3
81.03343	1.5
81.06968	16.4
83.04897	1.5
83.08538	10.0
85.02802	3.3
85.06453	2.6
87.04394	5.4
91.05402	7.4
92.10891	0.8
93.06976	11.5
95.04868	2.8
95.08520	5.2
97.02814	2.9
97.06451	100.0
97.10088	12.8
98.06792	0.9
98.97523	4.3
101.09522	0.6
103.05413	0.9
105.03323	2.3
105.06934	4.8
107.04959	0.7
107.08526	9.7
109.06414	1.2
109.10101	8.1
111.08015	3.2
113.05917	0.9
116.98547	4.9
117.06953	3.1
119.08527	2.4
121.06434	1.3
121.10127	1.4
123.07955	0.9
123.11637	0.7
125.09570	5.9
128.98653	0.7
131.08528	4.5
133.10101	2.8
134.99611	3.9
135.08003	4.7
135.11659	2.9
137.05927	2.9
148.05165	0.7
149.13229	2.8
151.11275	0.7
158.99640	0.7
159.11696	2.0
161.02846	0.7
167.08481	1.0
175.07605	0.8
177.00648	2.5
177.12709	3.1
195.13734	18.1
199.04395	0.9
201.00655	0.9
213.14764	7.9
219.01662	1.0
231.69110	0.6
257.10498	0.6
269.17380	4.2
287.12851	1.2
287.18448	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	287.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34033	0.4
53.00249	0.8
55.05450	14.2
57.07008	3.9
62.06011	0.4
67.05433	0.8
67.86658	0.4
69.06985	100.0
71.04913	2.3
71.08547	0.7
75.47092	0.3
83.08537	3.8
88.98203	0.4
90.79245	0.4
96.40556	0.4
104.33283	0.3
111.11667	43.6
157.81966	0.4
199.16910	2.3
268.29880	0.4
286.31012	3.3
287.31116	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2367
Annotation	11-cis-Retinol
Peak:m/z	Relative Intensity
50.20914	4.0
53.76867	4.5
55.05442	36.4
56.96494	21.9
57.07000	6.4
65.72219	4.9
67.05434	45.1
69.06979	33.9
79.05414	41.3
79.45357	4.4
81.06979	100.0
83.08559	10.4
85.06480	5.3
85.99949	5.3
89.33311	5.0
91.05396	27.1
93.06968	57.0
95.08526	73.2
97.06497	7.1
103.05389	8.1
105.06973	80.3
107.08533	65.7
109.10094	75.7
111.08028	11.4
117.06951	6.4
119.08522	57.0
121.10119	39.3
123.11629	11.2
129.06906	6.9
131.08507	38.1
133.10110	31.3
134.99724	5.5
135.11636	42.5
137.13220	7.8
140.70879	5.8
142.07536	6.2
143.08493	24.5
145.10077	34.2
145.26544	6.4
147.11626	27.6
149.13205	6.9
151.16107	6.2
157.10097	30.3
158.18346	5.0
159.11691	22.4
161.13196	8.0
171.11638	25.9
173.13174	22.6
175.14723	9.2
185.13208	28.9
187.14798	11.8
199.14815	9.2
201.16356	7.4
202.09383	6.4
203.09692	22.5
213.16342	23.6
217.15982	5.9
227.17929	11.2
229.19576	27.3
269.14429	8.1
269.22589	47.8
287.12378	6.7
287.23615	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	288.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	4.4
56.96484	1.9
59.04948	1.7
60.05598	1.6
69.19234	1.4
70.06509	2.5
70.57676	2.0
72.08071	100.0
72.99171	1.7
75.70902	1.6
84.08031	2.8
85.02821	8.2
97.02815	3.6
98.97501	2.4
108.63360	1.9
171.14867	12.4
174.28339	1.8
199.14380	8.8
237.02771	2.8
288.19675	2.1
304.06781	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	288.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81482	1.9
55.05451	7.6
56.96499	8.9
57.03369	1.7
60.05575	1.3
64.32932	1.1
69.03352	5.8
69.07008	1.6
70.06507	7.8
72.08070	100.0
76.02134	3.5
81.06972	1.5
84.04420	3.5
84.08073	7.3
85.02825	2.6
86.09637	13.3
91.05392	1.7
97.02821	3.1
98.97542	3.1
103.05350	2.2
108.08091	2.2
116.07069	1.7
116.98568	8.8
119.01830	2.9
120.08061	10.8
127.03905	3.1
131.97391	2.0
134.99631	8.2
143.11784	24.9
144.42494	1.8
153.00668	1.9
169.95303	1.5
171.11195	10.8
212.94540	1.5
279.07410	1.6
287.92279	1.5
299.07413	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05454	9.7
55.05674	1.5
59.04935	1.5
59.92747	1.2
60.55750	1.2
61.01058	1.1
66.34348	1.3
69.03331	2.6
70.06503	6.2
72.08068	100.0
73.02793	1.3
81.03360	1.4
84.64557	1.3
85.02821	12.5
86.09607	2.9
97.02814	2.8
98.97507	1.8
119.01787	1.6
119.10052	1.5
127.03863	2.3
148.51257	2.0
157.15710	1.5
161.01093	2.0
161.87849	1.3
171.14890	12.2
189.12308	1.8
195.93369	1.5
199.14398	7.5
200.16417	1.5
209.41875	1.4
238.31456	1.6
288.06686	2.1
288.19995	1.8
304.06870	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1914
Annotation	Gly Val Leu
Peak:m/z	Relative Intensity
54.20254	0.3
55.05445	6.5
56.96496	0.3
67.15234	0.3
70.06499	0.7
72.08064	100.0
84.08065	0.5
86.09621	24.2
91.79456	0.3
104.94394	0.3
124.53992	0.3
129.10191	50.9
132.10161	7.4
134.74608	0.4
143.11774	3.4
157.09697	10.6
171.11290	0.5
179.53268	0.3
189.12318	2.0
200.01100	0.5
237.02687	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1916
Annotation	Leu-Val-Gly
Peak:m/z	Relative Intensity
55.05445	1.6
56.04974	0.4
56.28704	0.3
56.96502	0.6
58.91261	0.3
60.04452	1.4
67.05423	0.6
69.03359	0.4
69.06985	9.7
70.06506	3.7
72.08068	16.1
75.05515	16.8
84.04430	0.7
84.08060	5.0
85.02818	0.5
85.07874	0.3
86.09624	100.0
87.05458	0.4
87.09962	0.7
91.05424	0.5
92.10633	0.6
96.83199	0.3
98.97506	0.6
99.24201	0.3
103.05490	0.3
110.07133	1.3
116.07077	0.4
116.98569	1.4
118.08610	5.3
120.08114	0.6
123.04406	0.6
124.07558	1.4
128.98648	0.4
129.10185	4.3
129.92061	0.3
143.11772	46.7
147.08046	0.4
169.44998	0.4
171.11250	10.0
171.12654	0.5
173.12845	0.6
175.10750	0.7
189.09071	0.6
194.05370	0.4
207.10060	0.5
224.09064	0.6
288.10461	0.7
288.19290	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1915
Annotation	Val Leu Gly
Peak:m/z	Relative Intensity
52.13401	0.4
55.05452	11.0
56.04967	0.8
56.96489	0.8
57.03355	0.5
57.05738	0.4
60.05588	0.8
60.64798	0.5
65.88710	0.4
69.03344	2.6
69.06974	0.9
69.12627	0.4
70.06511	4.3
71.04904	0.6
72.08068	100.0
73.08376	0.5
83.00182	0.5
84.04425	2.1
84.08076	6.0
85.02840	2.8
86.09627	82.8
86.30613	0.4
89.27708	0.5
94.21938	0.5
97.02844	1.8
98.97519	2.6
108.45054	0.4
110.07140	0.7
112.39500	0.4
116.07003	0.5
116.98589	3.0
120.08040	0.6
124.07505	0.6
127.03873	2.5
129.10207	2.0
131.97467	0.5
134.99615	1.7
175.11908	0.8
179.86165	0.5
185.16447	20.3
189.12306	7.8
213.15935	9.0
219.01778	0.6
223.04855	0.7
288.20279	0.6
295.56802	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68206	2.2
55.05437	4.7
55.67118	2.9
56.96492	12.5
60.95878	2.7
65.07904	2.5
67.05431	3.9
69.06982	12.5
72.08073	3.2
73.97073	2.7
81.06991	11.2
83.08562	3.4
84.08076	3.9
93.06963	5.4
95.08555	5.0
96.08051	4.5
98.97507	3.6
100.07545	15.0
107.08525	3.6
109.10087	4.7
116.98608	4.4
121.06448	23.2
127.03913	4.2
131.08580	4.3
143.08525	4.5
145.10104	6.9
147.08026	13.7
155.08562	3.4
159.08083	4.3
159.11786	3.6
161.09566	12.6
171.08061	4.8
172.08678	3.4
173.01184	3.7
173.09651	29.2
175.11140	4.7
185.09628	20.1
187.11119	5.7
199.11165	6.7
201.00665	3.6
201.09109	16.4
212.11902	13.9
215.14250	14.2
227.14255	55.3
229.15918	3.3
245.15282	13.6
253.03629	6.1
270.18576	6.4
288.19482	100.0
290.35403	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	288.228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41608	0.6
53.03875	0.7
55.01812	1.2
55.05451	12.4
56.04975	2.9
56.96490	1.3
57.03376	0.8
60.04450	3.7
60.05576	1.0
61.01081	1.0
62.06017	1.6
62.54488	0.6
65.03868	1.2
69.03351	1.4
69.06976	4.0
70.02875	3.1
70.06512	36.6
71.06812	0.7
72.08066	17.0
73.08407	0.7
74.05988	1.1
77.56946	0.7
79.05390	1.4
81.03352	1.1
81.06991	1.8
83.08538	9.3
84.04434	6.7
84.08064	24.9
84.95925	0.8
85.02837	4.4
86.09632	17.3
88.03919	6.2
91.05403	2.9
93.06932	0.8
95.04898	0.8
97.02834	1.5
98.05982	0.6
98.97500	1.5
99.04448	0.8
100.11185	100.0
102.05490	0.9
103.05389	0.9
107.04887	5.7
109.02840	0.9
109.06471	4.0
110.07117	6.3
111.04384	7.2
112.08691	0.8
116.07032	0.9
117.70440	0.8
119.04905	1.2
120.08068	3.1
123.04370	9.3
127.03883	3.5
129.10210	13.9
130.06512	0.8
130.08597	1.1
133.06142	0.9
134.99632	1.1
135.02719	0.8
135.04396	9.4
136.07552	0.9
137.05945	3.1
139.03883	1.8
139.08620	0.9
146.34554	0.8
146.99660	1.0
147.04327	1.2
147.66603	0.7
148.05179	0.9
149.00386	0.8
149.02374	1.3
151.03873	2.9
157.99788	0.8
158.99588	1.1
166.06152	0.7
167.01671	0.9
169.56479	0.7
173.12802	0.8
175.11882	0.9
177.43484	0.8
181.03140	3.8
185.16548	0.9
199.04170	1.0
209.16470	14.3
227.17494	48.5
228.17482	0.9
237.02687	1.2
271.06177	1.4
288.20358	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82932	0.7
54.31042	0.7
55.05451	1.4
56.04976	19.2
56.96501	1.2
57.07011	23.4
58.06535	0.8
71.08544	8.1
74.05987	45.8
81.06969	1.2
85.10114	1.8
88.07549	100.0
91.05408	1.5
92.10249	1.1
93.06966	1.0
93.42737	0.8
95.08533	0.9
102.05470	5.5
104.99200	0.9
105.06981	1.6
107.08503	1.3
116.07004	1.3
120.06551	6.1
127.03898	1.0
133.10085	1.3
143.10988	0.9
147.11732	1.0
201.00658	1.0
242.24738	30.3
270.24197	5.3
288.25269	80.2
289.25479	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	7.7
55.38721	0.5
58.06527	1.4
58.76256	0.5
65.48620	0.6
67.05420	2.9
69.03342	1.4
69.06979	3.8
70.06508	2.9
72.08069	100.0
76.56281	0.6
78.56831	0.5
79.05403	1.2
81.06952	1.2
83.08537	4.1
84.04430	0.9
84.08051	2.5
85.02805	0.9
86.09624	34.0
96.68655	0.6
97.10094	13.7
98.05971	7.6
107.08536	1.4
112.07571	3.2
112.11198	4.1
125.09579	12.8
126.12706	1.1
127.03875	12.4
127.66068	0.6
143.10660	0.8
149.59265	0.6
154.12244	1.5
159.95636	0.6
175.10692	1.1
182.15369	32.0
184.35391	0.7
185.16476	4.3
189.17818	0.6
190.42677	0.6
200.16417	62.9
213.15987	4.3
217.19005	4.2
271.23740	13.3
288.14450	0.8
288.26401	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06741	1.3
57.07011	34.9
58.39515	0.9
69.60684	0.8
70.06511	26.3
71.08183	1.1
71.08546	19.3
77.60957	0.7
81.10499	0.8
84.08524	0.8
85.10110	7.3
87.78944	0.9
88.07552	45.1
106.08608	48.6
110.59824	0.9
113.20648	1.0
126.03720	0.9
157.01791	0.8
266.08203	0.9
270.28058	1.0
288.28891	100.0
289.29297	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12189	0.5
56.96516	0.8
57.06736	0.8
57.07008	16.1
70.06139	1.1
70.06503	21.5
71.08546	7.1
85.10097	3.0
88.07549	27.9
102.09110	5.6
106.08604	17.5
107.08490	2.2
135.08044	1.2
240.11786	0.7
244.26326	1.0
270.27859	7.7
288.28891	100.0
289.29172	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0703
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
50.64931	0.8
53.03862	1.3
55.05444	1.9
55.54858	0.8
56.04967	0.9
56.96496	5.0
65.03848	2.0
67.01778	0.9
67.05415	1.5
68.99704	6.4
69.03338	5.2
69.06992	1.4
70.06501	17.8
72.08067	8.7
75.78145	0.9
79.05394	1.9
81.03342	1.8
81.06967	1.3
81.92022	0.9
84.04382	1.1
84.08060	11.6
85.02803	2.5
86.09632	11.9
91.05409	9.5
91.30994	1.0
93.07001	1.2
95.04926	1.8
95.08489	1.5
95.50895	1.0
97.02818	1.6
98.06049	1.2
98.97500	2.6
103.05352	1.9
104.57707	1.2
105.41640	1.2
105.50732	1.0
107.04896	45.6
109.02814	1.5
110.07108	5.0
111.04347	1.6
115.05398	1.6
116.98553	4.5
117.07018	1.3
119.04882	5.1
120.08051	2.3
121.02849	12.5
127.03874	6.7
129.10199	2.5
130.06569	1.3
131.04886	5.0
133.02751	1.1
134.99644	1.9
137.05948	2.5
141.06944	6.0
145.02773	1.3
145.06448	4.5
146.05972	2.6
147.04379	2.2
147.07991	2.6
149.02309	92.2
153.01801	30.7
156.04427	1.5
158.06001	1.3
167.03365	2.5
169.06444	8.5
187.07492	4.3
196.09917	2.4
197.05894	11.6
197.10452	1.3
215.06992	100.0
218.53764	1.1
225.05426	2.1
233.46468	1.1
234.67947	1.0
243.03949	2.3
243.06454	62.7
253.04942	1.8
271.05960	32.9
284.89929	1.2
289.07019	1.4
289.15768	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	289.0703
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
50.64931	0.8
53.03862	1.3
55.05444	1.9
55.54858	0.8
56.04967	0.9
56.96496	5.0
65.03848	2.0
67.01778	0.9
67.05415	1.5
68.99704	6.4
69.03338	5.2
69.06992	1.4
70.06501	17.8
72.08067	8.7
75.78145	0.9
79.05394	1.9
81.03342	1.8
81.06967	1.3
81.92022	0.9
84.04382	1.1
84.08060	11.6
85.02803	2.5
86.09632	11.9
91.05409	9.5
91.30994	1.0
93.07001	1.2
95.04926	1.8
95.08489	1.5
95.50895	1.0
97.02818	1.6
98.06049	1.2
98.97500	2.6
103.05352	1.9
104.57707	1.2
105.41640	1.2
105.50732	1.0
107.04896	45.6
109.02814	1.5
110.07108	5.0
111.04347	1.6
115.05398	1.6
116.98553	4.5
117.07018	1.3
119.04882	5.1
120.08051	2.3
121.02849	12.5
127.03874	6.7
129.10199	2.5
130.06569	1.3
131.04886	5.0
133.02751	1.1
134.99644	1.9
137.05948	2.5
141.06944	6.0
145.02773	1.3
145.06448	4.5
146.05972	2.6
147.04379	2.2
147.07991	2.6
149.02309	92.2
153.01801	30.7
156.04427	1.5
158.06001	1.3
167.03365	2.5
169.06444	8.5
187.07492	4.3
196.09917	2.4
197.05894	11.6
197.10452	1.3
215.06992	100.0
218.53764	1.1
225.05426	2.1
233.46468	1.1
234.67947	1.0
243.03949	2.3
243.06454	62.7
253.04942	1.8
271.05960	32.9
284.89929	1.2
289.07019	1.4
289.15768	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	289.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20996	2.0
53.03881	4.9
55.01803	6.0
56.84709	2.0
56.91111	2.2
56.96482	4.1
57.03373	6.0
60.05564	10.1
61.02831	2.4
66.06263	2.3
69.03344	29.2
69.06992	2.5
69.66924	2.4
70.06506	47.1
71.04899	4.7
72.08065	19.1
73.02824	3.6
81.03312	22.1
81.04435	4.1
84.04399	3.3
84.08044	9.5
85.02816	32.6
86.09613	39.6
95.04877	3.9
95.89954	2.8
97.02808	33.0
98.05948	3.0
98.97503	4.5
99.04369	23.5
107.04895	3.2
109.02812	21.2
111.04433	2.4
112.08662	5.9
116.07037	4.5
116.98563	10.5
119.01788	5.8
120.00463	2.6
127.03776	47.1
127.04945	7.6
130.09793	3.1
132.10121	5.9
175.11787	11.3
177.00517	3.5
179.56004	2.4
185.04121	17.1
195.96165	2.9
200.04367	5.2
203.05240	43.3
237.10867	2.5
275.72263	2.6
288.20224	12.5
289.08823	100.0
289.20355	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20996	2.0
53.03881	4.9
55.01803	6.0
56.84709	2.0
56.91111	2.2
56.96482	4.1
57.03373	6.0
60.05564	10.1
61.02831	2.4
66.06263	2.3
69.03344	29.2
69.06992	2.5
69.66924	2.4
70.06506	47.1
71.04899	4.7
72.08065	19.1
73.02824	3.6
81.03312	22.1
81.04435	4.1
84.04399	3.3
84.08044	9.5
85.02816	32.6
86.09613	39.6
95.04877	3.9
95.89954	2.8
97.02808	33.0
98.05948	3.0
98.97503	4.5
99.04369	23.5
107.04895	3.2
109.02812	21.2
111.04433	2.4
112.08662	5.9
116.07037	4.5
116.98563	10.5
119.01788	5.8
120.00463	2.6
127.03776	47.1
127.04945	7.6
130.09793	3.1
132.10121	5.9
175.11787	11.3
177.00517	3.5
179.56004	2.4
185.04121	17.1
195.96165	2.9
200.04367	5.2
203.05240	43.3
237.10867	2.5
275.72263	2.6
288.20224	12.5
289.08823	100.0
289.20355	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1795
Annotation	Micrandrol D
Peak:m/z	Relative Intensity
52.43766	0.5
55.05450	1.0
56.96495	1.1
57.06983	0.8
59.04916	0.5
67.05415	1.3
69.03356	0.6
69.06979	2.4
71.04867	0.6
79.05392	0.9
81.06976	3.6
83.08522	0.6
85.06452	2.6
91.05401	0.6
92.64353	0.5
93.06969	1.2
95.08530	5.0
97.06438	0.6
99.28400	0.6
104.82561	0.5
105.06959	3.5
107.08492	0.5
109.10117	0.8
111.08031	1.1
119.08524	2.9
121.06451	3.5
121.10104	7.2
123.08022	0.6
127.03842	2.6
129.06845	0.5
131.08441	0.7
133.10136	0.9
135.04382	16.1
135.08026	4.9
138.09952	0.5
141.22655	0.6
145.10075	1.0
147.08018	6.4
158.07248	0.7
159.08012	2.9
159.11667	0.8
161.05923	1.1
161.09569	7.7
169.10197	0.7
170.07208	1.2
171.07930	0.9
172.08852	0.5
173.09608	5.9
175.07481	10.2
175.11104	1.1
177.08957	1.2
185.09570	45.1
187.07457	0.6
187.11136	3.9
197.09567	0.9
198.10461	0.7
199.11208	2.7
201.09233	0.7
211.11209	1.1
224.11775	0.6
227.14343	0.6
229.12227	0.6
253.15862	2.2
269.21811	0.6
289.17905	100.0
290.18314	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1795
Annotation	Micrandrol D
Peak:m/z	Relative Intensity
55.05453	1.9
57.03378	0.6
58.85432	0.4
59.04920	0.6
67.05421	1.0
69.03349	0.5
69.06978	1.8
79.05384	0.7
81.06989	1.7
83.04897	0.6
83.08539	0.6
84.80797	0.4
91.05426	0.5
91.74983	0.4
93.06947	1.7
95.08523	5.2
98.97482	0.5
99.08016	0.4
105.06960	1.7
107.04901	0.7
109.10088	1.9
111.08057	1.2
119.08537	1.0
121.06441	1.8
121.10089	4.1
127.03871	0.5
135.04378	30.1
135.08008	0.7
142.07738	0.6
145.10056	1.6
147.08008	1.6
156.57280	0.4
157.10016	0.7
159.08034	3.5
161.05960	3.5
161.09563	3.1
164.19392	0.4
170.07254	0.9
171.07967	0.9
173.09579	6.1
173.91273	0.4
175.07501	2.2
175.11035	0.4
177.09093	2.7
185.09575	49.8
187.07503	1.0
187.11070	3.5
197.09592	1.8
199.11110	4.1
201.09059	0.8
209.09534	0.6
211.11093	3.3
213.12732	0.7
215.10669	0.6
223.11084	0.5
224.11989	0.8
225.12688	0.7
227.14316	0.5
238.13474	0.9
253.15857	2.2
289.17917	100.0
290.18213	0.7
312.24130	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	3.9
56.04959	3.8
56.96494	3.7
57.03382	0.6
57.90234	0.7
60.04440	1.0
61.01077	1.1
67.05432	1.1
69.03331	1.9
69.06973	3.7
70.02868	1.5
70.06506	27.7
72.04446	0.7
72.08067	9.6
73.02789	0.8
74.05971	3.1
81.03323	1.9
83.08518	3.1
84.04439	5.6
84.08066	18.4
85.01025	2.9
85.02811	2.9
85.06282	0.9
85.08377	0.7
86.05962	0.8
86.09621	15.6
88.03896	4.0
91.05433	1.4
94.45119	0.8
95.04912	1.2
97.02843	1.0
98.97509	3.7
102.03676	4.3
102.05430	0.9
103.05383	1.2
109.02820	0.8
110.07114	12.6
111.04394	3.9
112.08677	1.1
116.07035	1.1
116.98541	3.5
119.04870	1.2
120.08066	10.2
123.04357	3.7
127.03864	1.2
127.08624	0.8
129.06934	0.8
129.10193	4.8
130.08568	1.0
130.93056	0.8
132.10078	1.0
134.99612	4.0
135.04347	1.6
136.04727	1.6
136.07541	3.5
137.05919	1.3
139.03864	1.1
140.24767	0.8
171.06786	1.1
175.11916	0.9
177.00771	1.3
184.07529	39.8
185.08308	48.1
185.10004	1.5
197.08214	1.3
198.07426	1.4
198.09105	18.1
200.06992	1.7
212.07021	99.4
213.07791	31.2
226.08548	6.8
244.09482	1.4
254.08037	20.4
261.12570	1.4
272.09103	100.0
290.10095	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	290.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03377	1.0
52.94259	1.0
54.05246	1.1
56.04965	22.3
57.07003	22.4
58.06533	12.7
60.04441	5.0
65.66449	1.3
71.08527	2.6
74.05989	17.9
80.79433	1.0
82.52951	1.2
85.10093	2.7
88.07548	99.9
92.10885	1.5
96.90815	1.1
103.25691	1.2
104.07030	1.7
113.92921	1.2
118.08608	15.3
119.55666	1.3
122.08074	6.1
242.24722	80.9
272.25775	2.5
290.26813	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72552	0.5
56.96479	1.1
57.06783	0.8
57.07009	14.4
70.06502	28.7
71.08529	5.0
84.08070	1.2
85.10078	1.2
86.09601	0.8
88.07544	32.2
96.30479	0.8
101.45444	0.8
102.09107	1.4
104.34745	0.8
106.08586	5.0
114.09108	10.8
115.18528	0.9
118.08591	3.7
132.10158	35.3
133.02940	0.8
150.11224	25.5
214.21638	1.1
228.23178	1.7
246.24182	9.3
269.36481	0.8
290.26810	100.0
291.27170	1.2
306.60263	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64278	0.8
57.06773	1.1
57.07012	18.2
58.06519	3.9
62.00032	0.9
70.06140	1.7
70.06504	38.6
71.08531	4.8
72.08057	1.2
85.10094	1.7
88.07550	44.5
100.27087	0.9
102.08477	1.7
102.09115	28.7
176.22585	0.9
221.09262	1.1
228.23170	72.3
229.23479	1.0
272.25739	5.0
288.05270	0.9
290.26813	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14335	1.1
53.59087	1.1
55.05449	5.1
56.04964	5.8
56.96252	1.3
56.96502	31.6
57.03357	1.7
61.01090	11.2
63.15145	1.3
65.17812	1.4
67.05431	1.3
69.03329	2.7
69.06982	17.2
70.06513	37.1
71.06829	2.6
72.08082	16.8
73.08383	5.1
74.05987	9.5
79.05384	1.5
81.06972	1.3
84.04404	3.0
84.08067	60.0
84.95956	3.0
85.02814	1.9
86.09630	23.4
88.03938	2.3
91.05406	1.8
91.59270	1.3
93.06969	1.6
95.04962	1.3
95.05938	1.5
97.02798	2.4
98.97514	100.0
98.98164	3.2
110.07112	29.4
113.07056	2.3
114.03770	1.3
116.98569	79.7
120.08051	7.7
128.98511	2.9
129.10182	7.9
131.00104	3.0
132.08389	29.6
134.99631	48.4
136.80836	1.4
139.03911	1.7
140.00108	1.7
140.98567	1.7
143.00119	10.2
146.99623	3.2
149.01192	5.3
153.00671	11.2
156.07686	11.0
156.98041	1.9
158.99586	10.9
161.01196	36.9
170.99507	2.5
174.99101	6.1
177.00677	22.4
179.02266	11.8
182.99586	2.4
183.14725	1.5
185.01080	1.6
189.00642	16.0
195.01718	11.3
201.00735	13.7
207.01779	10.4
219.01683	13.1
231.01640	2.0
237.02679	3.2
240.15260	1.6
249.02792	12.3
250.17403	1.3
267.03796	7.8
291.17191	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	291.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65441	5.5
55.05445	5.5
56.04965	5.7
56.96491	13.6
57.03365	8.4
60.05556	6.8
63.48344	5.4
69.03338	23.0
69.06971	5.7
70.06509	71.1
71.04910	7.8
72.08064	45.5
72.76975	5.3
74.05981	36.6
82.06490	5.4
82.60674	5.1
83.43465	5.3
84.04413	14.5
84.08054	13.0
85.02842	20.0
86.05994	7.1
86.09632	100.0
87.09954	10.2
97.02815	27.5
98.39154	6.1
98.97486	11.8
110.07088	12.0
115.76326	6.5
116.98551	6.6
127.04956	5.4
129.05443	6.2
136.06178	7.9
145.05009	5.7
149.06604	7.3
157.13335	8.2
173.12888	9.4
175.11897	8.4
177.00488	8.2
225.95638	5.7
291.08328	98.6
291.12973	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	291.0859
Annotation	(-)-Epicatechin
Peak:m/z	Relative Intensity
53.03859	0.9
54.96630	0.6
55.01802	3.4
55.05442	1.5
56.04960	0.8
56.96493	5.6
57.03372	0.7
59.75315	0.6
60.04475	0.8
65.03881	0.8
67.05416	3.7
68.99696	3.0
69.03339	1.2
69.06981	3.3
70.06506	13.1
72.08060	3.8
77.59987	0.6
79.05381	0.8
81.03335	1.1
81.06957	1.1
83.04886	1.5
84.04411	1.4
84.08051	5.6
85.02815	3.1
86.09624	9.1
88.03893	0.7
90.86778	0.6
91.05383	4.7
93.03312	1.7
93.06946	0.9
95.04882	5.0
97.02808	3.2
98.97514	5.7
105.06939	0.9
107.04877	1.0
110.07117	9.2
111.04385	7.1
114.33260	0.8
115.05387	2.9
116.98552	6.1
119.04889	9.9
120.08045	1.8
121.06422	1.1
123.04374	70.1
124.04700	1.2
127.03799	1.3
129.05478	0.8
130.06433	0.9
131.04874	0.8
132.44453	0.7
133.06453	1.2
134.99614	3.3
135.04288	1.2
137.02347	0.8
137.05934	3.3
139.03871	100.0
140.04105	0.9
143.04866	4.1
146.06004	1.3
146.99638	0.7
147.04384	24.4
149.75630	0.8
150.89366	0.6
151.03903	1.2
151.07530	0.7
153.05418	1.7
156.07530	0.8
161.01175	1.5
161.05948	12.5
163.03973	0.9
165.05412	8.5
165.09042	0.9
167.06926	0.9
174.84358	0.8
177.00705	1.8
177.05417	1.0
179.06946	3.1
189.05392	1.8
201.04222	1.5
202.47095	0.8
207.06464	6.5
247.26128	0.8
273.07623	1.3
291.08414	5.1
291.13177	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0862
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
52.13868	0.3
55.01805	4.0
55.05463	0.5
65.03864	1.0
65.63182	0.4
67.05427	3.0
68.99706	3.5
83.04892	1.6
91.05409	3.4
93.03333	3.0
95.04903	4.2
97.02833	0.4
105.03349	0.5
105.07001	0.5
111.04392	5.6
115.05435	0.9
119.04896	8.8
123.04386	71.3
124.04719	0.5
127.03911	1.8
133.06448	0.9
135.04378	0.7
137.02309	1.0
137.05927	0.9
139.03886	100.0
140.04254	0.6
143.04912	4.6
147.04391	24.4
151.03961	1.6
151.07515	0.5
153.05423	0.6
159.04501	0.4
161.05954	10.8
163.03908	1.6
165.05446	8.3
169.04999	1.7
179.07002	4.1
189.05400	1.0
207.06508	6.3
220.91432	0.5
276.81128	0.4
291.08615	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.086
Annotation	(-)-Epicatechin
Peak:m/z	Relative Intensity
53.05568	0.4
55.01800	2.4
56.80364	0.4
57.96241	0.4
65.03849	2.3
67.05413	2.6
68.99696	2.0
70.48805	0.4
72.16708	0.5
83.04877	1.7
84.04434	0.4
85.02808	0.4
86.09612	0.6
90.05602	0.4
91.05389	2.8
93.03326	2.3
93.54463	0.4
95.04890	4.6
102.34652	0.4
103.05408	0.4
105.03323	1.0
105.06971	0.7
107.04893	0.5
111.00790	0.5
111.04373	5.6
115.05383	2.6
119.04879	8.8
121.02760	0.4
123.04377	74.1
124.04723	0.5
127.03895	1.8
133.06468	1.0
135.04367	1.5
137.02348	0.8
137.05948	0.8
139.03874	100.0
140.04175	0.6
143.04880	5.1
144.71841	0.5
147.03206	0.8
147.04378	24.4
151.03922	2.3
151.07613	0.5
153.05479	0.5
159.04459	0.6
161.05942	10.4
162.71442	0.5
163.03860	1.0
165.05408	9.8
169.04947	0.9
177.05368	0.7
179.06989	4.4
189.05521	1.9
204.47340	0.5
207.06496	7.3
291.08524	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1071
Annotation	Osmundalin
Peak:m/z	Relative Intensity
55.05453	1.9
56.96498	4.6
57.03373	14.5
61.02862	1.5
69.03345	8.8
70.06488	1.1
72.08073	1.2
73.02830	1.0
81.03325	4.4
83.04900	6.3
84.08076	1.2
85.02827	17.8
86.09657	1.2
87.04386	1.6
92.10883	1.1
97.02840	7.1
97.15546	0.8
98.97516	4.0
101.05943	14.5
106.92641	0.9
109.02853	1.4
111.04388	4.7
116.98557	3.2
124.23297	0.8
127.03889	0.9
128.98586	1.5
129.05440	100.0
134.99643	1.6
137.41753	0.8
139.03928	1.0
143.00166	1.0
161.01085	1.6
196.82101	0.9
273.12268	0.9
281.79449	0.9
291.13022	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03880	9.1
55.01797	13.4
55.05445	65.8
56.96494	34.3
65.03885	9.2
67.05418	42.3
69.03341	9.6
69.06979	32.5
70.06523	8.0
75.92873	5.9
76.90041	7.3
79.05399	81.3
81.03310	25.5
81.06960	100.0
83.08538	10.4
85.06490	7.5
91.05409	63.8
93.06963	44.3
95.04883	42.1
95.08533	14.2
98.97538	9.4
105.06960	39.8
107.04901	34.2
107.08520	39.0
109.06446	11.2
109.45129	7.4
114.37814	8.8
116.98556	17.7
117.06954	29.8
119.08550	55.9
121.06440	46.4
121.10106	9.8
123.08018	40.8
131.08533	14.5
133.06441	11.0
134.99593	26.5
135.08025	30.3
145.10068	10.3
147.08028	13.1
147.11780	7.3
149.09573	11.9
163.11176	8.9
261.63956	7.0
273.02444	7.7
273.18491	17.3
281.80377	7.0
291.19452	91.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1289
Annotation	H-TRP-SER-OH
Peak:m/z	Relative Intensity
51.08860	0.7
55.05444	1.5
56.04995	0.7
56.96494	6.0
57.03369	1.1
60.04161	2.0
60.04452	42.4
60.05576	1.2
61.25983	0.9
61.44743	0.9
62.28358	1.0
69.03334	1.1
70.02869	3.9
70.06509	5.3
72.08062	6.5
73.25697	0.9
84.04417	6.3
84.08069	6.2
85.02839	1.6
85.03953	6.0
86.05154	1.1
86.09626	5.9
87.05463	0.9
97.02827	2.1
98.97511	5.1
110.07076	7.3
115.04971	9.4
116.98564	1.9
118.06499	16.9
129.10207	1.9
130.04939	1.3
130.06503	13.3
132.08046	17.7
134.99606	3.8
142.06522	1.4
144.08055	21.0
146.05981	79.2
158.08427	2.3
159.09171	17.2
169.07574	1.3
170.05977	11.5
183.09068	1.7
188.07018	100.0
205.09663	25.1
211.83401	1.0
245.09361	1.1
246.12392	6.6
274.11935	1.4
292.12897	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	292.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	0.8
54.75232	0.7
56.96495	3.7
57.07000	3.5
58.07337	1.1
65.01826	0.6
67.05422	0.6
70.06499	5.0
71.06823	1.2
76.87410	0.7
79.05406	8.5
88.07569	7.1
89.07879	1.2
91.05350	0.9
91.53635	0.7
92.04923	1.3
95.04884	3.7
97.91737	0.6
98.97516	2.8
101.12038	0.7
102.09116	4.0
106.06498	54.7
107.07262	1.3
116.98550	2.8
120.08039	4.1
133.07576	1.6
134.99628	1.2
144.08046	4.7
145.08847	25.4
158.09590	2.7
159.10382	3.5
160.11188	100.0
171.09158	4.4
185.10658	1.5
186.11562	0.8
188.36964	0.7
199.63673	0.8
228.23172	1.6
229.23514	10.4
230.23915	1.6
277.15692	1.0
291.27176	14.7
292.18039	26.6
292.27353	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	293.2106
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
51.60996	2.0
51.96408	2.7
53.03886	40.2
53.65785	2.5
55.01798	17.9
55.05447	100.0
55.94131	2.6
57.07010	5.7
59.07389	2.6
61.54108	2.2
65.03868	3.4
67.05424	71.6
69.06990	24.4
71.04903	5.2
75.25494	2.6
79.05395	52.0
80.61118	3.1
81.03330	74.9
81.06965	68.4
83.04903	15.6
83.08531	67.3
91.05396	59.2
92.64449	3.5
93.06952	43.8
95.04881	31.5
95.08506	23.1
97.06467	5.9
103.05426	2.9
105.06953	28.0
106.55054	2.8
107.04900	54.5
107.08558	19.5
109.06445	13.6
109.10143	3.1
111.04323	3.2
111.08029	11.9
117.06943	22.7
119.08529	23.3
121.06436	3.4
121.10093	26.6
129.06967	3.7
131.08511	17.8
133.10089	11.8
135.07988	4.3
135.11674	10.5
137.59958	3.3
138.69978	3.0
145.06474	10.0
145.10100	30.4
147.11664	4.9
149.05969	2.9
149.09566	3.8
155.08530	12.0
159.11612	4.4
163.11110	24.6
165.12689	3.6
173.09602	16.3
175.11134	4.3
180.60985	2.8
181.05086	3.0
191.10555	4.9
196.10851	2.6
237.11197	6.6
247.20580	2.9
249.78761	2.6
275.20020	23.2
293.21005	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.88411	3.5
51.41699	3.9
55.01818	7.1
55.05447	24.3
55.21404	3.3
67.05421	69.2
69.06983	55.1
75.79784	4.5
79.05411	42.9
81.06973	75.2
83.04871	13.5
91.05393	46.2
93.06970	47.9
95.04894	23.9
95.08529	45.3
99.57036	4.3
105.06960	37.7
107.04884	6.3
107.08517	29.9
109.06498	8.5
109.10108	9.0
117.06970	8.3
119.08531	21.6
121.06464	21.3
121.10085	7.8
123.07993	8.5
129.06998	5.0
131.08548	23.9
133.10085	25.2
135.11707	4.7
140.44075	4.0
145.10081	6.7
147.11665	17.2
159.11655	9.0
173.13176	7.1
199.23421	4.0
214.60089	5.0
257.18875	19.7
275.19949	100.0
293.21048	20.6
304.31833	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03679	1.6
53.03886	34.8
55.01809	14.7
55.05453	25.4
57.06995	2.3
64.34092	2.0
65.03855	2.9
67.05078	2.4
67.05421	54.0
68.99675	1.7
69.06988	32.4
71.04867	1.9
72.79790	1.8
79.05399	55.8
81.03333	61.9
81.06513	3.4
81.06969	100.0
83.04892	9.6
83.08542	3.8
84.33877	1.8
86.55746	1.9
86.98933	2.3
91.05406	59.8
93.06968	40.5
95.01234	10.6
95.04892	21.1
95.08530	36.3
97.06452	10.1
97.51908	1.8
103.05416	2.1
105.06965	73.7
107.04894	26.2
107.08546	17.6
109.06442	13.6
109.10101	4.7
113.71444	1.9
117.06960	18.3
119.08510	35.9
121.06359	3.5
121.10038	4.6
123.04365	2.3
123.07995	12.1
131.08533	23.6
133.10083	34.8
135.11633	9.7
141.06985	2.6
143.08450	2.3
145.06419	3.5
145.10060	9.4
147.11656	9.1
159.11589	9.4
161.13158	2.3
169.10037	2.9
179.14270	4.4
257.19077	2.4
275.20013	35.3
293.21072	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	293.2105
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.00218	2.4
53.03874	3.6
54.45043	1.8
55.01802	9.1
55.05455	25.5
56.96487	13.0
57.03362	14.4
60.52684	2.0
61.25850	1.9
66.44849	2.0
67.05428	49.3
69.07000	22.2
71.04916	3.4
79.05409	61.0
81.03342	5.6
81.06511	4.3
81.06977	100.0
83.04886	5.6
83.08501	8.8
85.06456	4.2
91.05408	45.9
93.06974	42.1
95.04886	20.2
95.08529	35.8
97.06444	9.2
97.10043	3.2
98.97520	9.4
103.05429	2.0
105.06980	48.2
107.04902	10.0
107.08549	24.8
109.06451	24.0
109.10101	16.8
109.69390	2.1
111.08039	3.5
116.98545	4.6
117.06951	14.4
119.01855	2.2
119.08533	33.9
121.06454	9.1
121.10069	16.8
123.07990	2.9
123.11614	3.0
129.06915	3.1
131.08505	12.4
133.10109	24.1
134.99585	3.2
135.08037	3.8
135.11676	4.1
137.09615	5.5
143.08528	4.0
145.10095	13.3
147.11659	12.3
149.09618	4.7
149.13184	2.3
151.11134	4.1
151.36426	2.6
159.11656	9.8
161.02893	5.3
161.13208	4.6
163.11137	4.1
173.13261	3.7
179.19086	2.3
185.13255	3.8
201.16251	2.5
239.17874	2.4
247.08516	2.4
257.18915	11.3
275.20007	47.5
293.21063	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03875	12.0
55.01816	21.5
55.05454	44.6
56.96490	3.3
57.07009	2.8
61.39630	2.4
65.03851	2.8
67.05428	68.9
69.06990	38.6
71.04901	3.3
74.52648	2.5
76.98367	2.2
79.05410	83.7
80.80738	2.3
81.03342	11.1
81.06973	100.0
83.04887	11.8
83.08523	25.3
84.66897	2.5
85.02769	2.3
91.05404	56.2
92.10284	2.7
93.06972	59.7
95.04906	29.0
95.08540	44.8
97.06441	10.2
97.10116	18.2
97.98441	3.1
98.97530	3.0
105.06980	58.0
107.04910	14.0
107.08545	68.3
109.06463	15.9
109.10120	23.9
116.98533	10.2
117.06978	21.0
119.08519	44.5
121.06479	4.5
121.10081	21.1
123.07999	10.8
125.09586	5.8
131.08543	17.7
133.10081	30.0
134.99651	4.0
135.08008	5.2
135.11667	5.7
137.09573	12.7
145.10098	15.9
147.11673	15.4
149.09624	16.0
151.11168	4.7
153.00615	2.8
155.08530	3.1
159.11646	5.2
161.02853	2.5
161.13223	4.9
163.11130	17.3
165.09119	3.2
169.10052	4.2
173.13286	4.5
183.11510	2.9
197.13278	3.2
225.63100	2.6
239.17712	3.7
257.18991	6.1
258.21503	2.8
275.19983	84.1
293.21066	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	293.2108
Annotation	Etherolenic acid
Peak:m/z	Relative Intensity
51.81271	0.6
53.00254	0.4
53.03875	2.1
55.01814	0.5
55.05446	2.6
57.03371	0.5
59.33436	0.4
65.03863	0.8
67.05423	9.4
69.06979	2.8
71.04921	0.5
79.05405	30.1
81.03329	2.5
81.06972	100.0
82.07314	0.7
83.04903	0.6
85.06464	1.0
91.05402	10.5
93.06965	6.8
95.04888	3.4
95.08516	3.8
97.06463	1.1
99.08007	0.5
101.79272	0.4
105.06971	8.6
107.08546	4.2
109.05721	1.2
109.06467	36.0
109.10095	2.0
119.08535	6.4
121.06462	0.7
121.10081	2.4
123.08009	2.3
129.06927	0.7
131.08510	2.3
133.10072	7.3
135.08043	0.5
145.10117	2.3
147.11646	5.1
149.09555	1.9
149.13208	0.7
151.11148	2.4
157.10097	1.2
159.11745	0.7
163.11102	0.6
165.12717	0.6
175.11172	1.2
193.12187	2.1
199.88394	0.5
272.65637	0.5
275.19983	13.4
293.21033	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	293.2105
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.99311	1.4
53.03876	2.9
55.01801	11.6
55.05448	46.3
56.96487	3.9
57.03368	32.5
67.05423	44.1
69.03348	4.2
69.06989	24.2
71.04884	3.3
79.04958	4.4
79.05404	100.0
81.03333	5.2
81.06976	54.9
83.04861	7.7
83.08536	12.4
85.02842	2.5
85.06445	10.8
91.05402	72.9
93.06970	92.9
95.04898	76.4
95.08530	36.5
97.06458	3.9
97.10104	11.5
98.97533	3.7
105.04406	3.6
105.06969	68.0
107.04864	12.5
107.08543	48.4
109.06448	12.2
109.10109	10.9
113.92474	1.9
116.06183	2.6
116.98530	2.3
117.06963	15.8
119.08534	47.8
121.06451	9.2
121.10102	19.8
122.73740	2.1
123.08020	4.9
125.09592	3.2
128.06161	2.4
129.06938	9.4
131.08539	24.6
133.10097	23.0
135.11601	3.5
143.08507	15.7
143.45790	2.1
145.10124	21.0
147.08080	4.2
147.11662	13.9
149.09596	17.7
149.94386	2.1
151.25139	2.2
157.10139	3.9
159.11624	13.7
161.13193	12.6
163.11191	5.3
177.12706	2.3
185.13194	21.0
201.16357	2.9
203.14278	13.6
219.17351	8.4
221.15244	12.6
223.13300	9.9
257.18976	8.0
275.20016	48.2
293.20953	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	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.95889	1.4
51.02295	1.3
53.03862	9.0
54.81448	1.8
55.01797	9.6
55.05454	25.7
56.96487	12.9
56.96723	1.4
57.03353	9.6
57.07003	1.8
67.05423	49.7
69.03337	3.8
69.06985	20.0
71.04892	3.9
79.04970	2.2
79.05411	54.8
81.03304	8.8
81.06512	3.6
81.06973	100.0
83.04900	3.3
83.08530	9.2
91.05405	47.4
93.06974	38.2
95.04916	15.0
95.08538	29.6
97.06489	2.9
97.10085	2.3
98.97514	4.2
105.06970	42.0
107.04875	4.6
107.08541	28.4
109.06438	17.5
109.10095	12.0
111.07984	3.0
116.98544	8.1
117.06944	9.5
119.08533	33.7
121.06493	2.0
121.10082	16.4
123.08000	8.3
123.11687	2.5
129.06970	3.5
131.08533	21.9
133.06419	2.4
133.10062	20.7
134.99561	3.9
135.08002	2.6
135.11627	2.2
137.09639	3.6
143.08539	3.5
145.10066	10.2
147.11633	10.6
149.09566	11.4
149.13196	2.1
151.11134	2.5
157.10146	2.8
159.11664	10.7
159.30396	1.8
161.13142	2.0
163.11052	7.1
164.02664	1.9
173.13094	3.4
175.11084	2.3
185.13277	3.2
219.17361	2.1
229.19495	3.1
239.17873	2.4
247.20670	2.6
253.11053	3.1
257.18832	4.0
271.12091	10.4
275.19955	46.3
293.21075	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
54.81548	4.1
55.01798	25.4
55.05451	68.9
56.96497	5.1
57.07005	7.8
67.05425	55.3
69.06993	29.0
71.04895	4.6
79.05407	100.0
81.03329	7.9
81.06976	96.2
83.04890	29.8
83.08532	21.6
90.29443	4.0
91.04967	4.5
91.05407	63.1
93.06962	59.2
95.04879	17.4
95.08520	18.7
97.06458	20.5
97.10127	5.3
104.10644	6.0
104.68740	4.1
105.06973	39.4
107.04871	46.6
107.08553	47.1
109.06473	17.6
109.10101	17.0
111.08041	4.6
117.06940	14.4
119.08529	27.5
121.06420	5.2
121.10085	7.7
125.09576	6.7
131.08530	7.7
133.10120	17.3
135.08073	4.1
145.10081	7.9
147.11627	10.0
149.09567	40.8
163.11096	5.0
172.95177	5.2
187.14995	3.9
209.26361	3.8
237.11011	8.3
261.85547	4.6
275.19949	48.4
293.20901	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	293.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30336	2.2
55.05452	12.4
55.07341	2.2
57.07003	5.0
67.05425	91.1
69.06982	14.1
71.08865	2.4
76.80846	2.2
79.05415	19.4
81.06977	100.0
83.04904	3.8
83.08537	3.5
84.45284	2.2
91.05396	12.0
93.06977	13.9
95.04864	2.6
95.08527	64.0
97.06484	2.9
105.06961	13.7
107.08519	12.9
109.10098	21.2
117.06986	3.1
119.08553	10.8
121.10116	10.9
123.11681	5.5
131.08534	4.6
133.10104	5.9
134.15477	3.0
137.05928	2.9
145.10097	5.1
149.09619	4.1
159.87994	2.6
163.11115	4.3
165.12767	2.9
192.50264	2.5
237.11194	3.5
275.20016	14.8
293.24478	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	294.0969
Annotation	Megistonine II
Peak:m/z	Relative Intensity
53.03878	0.2
55.01814	0.2
56.96493	0.2
66.04641	0.5
70.06494	0.2
72.08054	0.4
79.05403	5.1
84.08064	0.3
85.02809	0.3
86.09608	0.5
89.06452	0.2
90.04617	0.9
91.05392	0.3
95.04889	1.2
98.97517	0.9
103.05398	4.9
105.06962	4.1
107.08505	0.3
116.44750	0.2
116.98564	0.3
118.04102	7.7
133.06451	61.8
134.06799	0.4
134.99629	0.3
146.03619	0.2
160.50873	0.2
161.05940	100.0
162.06305	1.5
177.00676	0.2
213.04384	0.3
231.05391	0.4
252.11064	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1333
Annotation	Chlorantene B
Peak:m/z	Relative Intensity
53.03889	0.3
54.81191	0.2
54.90540	0.3
55.05188	0.4
55.05452	12.3
56.96495	1.4
57.03389	0.4
59.04928	2.0
67.05434	1.3
69.03351	0.7
70.06507	0.4
72.08057	0.5
73.02779	0.3
79.05410	1.1
81.06972	1.4
83.04897	11.8
85.02827	1.4
86.09616	0.6
91.05396	1.2
92.10321	0.6
93.06934	1.1
97.02830	0.6
98.97528	2.1
101.05961	10.1
103.05408	5.4
105.06976	0.4
107.04887	1.7
107.08539	0.4
111.04391	6.0
113.74485	0.3
116.98566	2.0
117.03329	1.2
119.01879	0.6
120.08057	100.0
121.08388	0.6
123.08003	0.6
128.98532	0.4
129.05447	4.6
131.04854	2.3
131.08571	0.3
134.99652	0.6
137.06000	2.1
137.09552	1.1
145.02815	2.9
145.10162	0.5
146.05988	1.9
146.99681	0.4
147.06517	1.6
149.05994	0.7
149.09561	0.3
158.99693	0.3
161.01170	0.4
161.02858	0.4
161.05965	0.6
165.09055	3.4
166.08527	4.8
177.00639	0.5
177.05461	3.0
184.11195	1.2
202.12273	2.5
205.77655	0.3
219.01678	0.3
230.11716	4.5
237.02780	1.6
248.12753	9.4
276.12302	2.6
294.13379	1.6
309.78677	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02046	1.2
55.05436	3.3
56.96500	66.3
57.03378	2.1
65.80364	1.4
66.46609	1.2
67.05443	3.3
69.03371	2.0
69.06987	2.7
70.49994	1.5
71.95172	3.3
72.95956	2.6
75.86477	1.2
78.08264	1.2
79.05390	9.4
80.05744	1.8
80.12291	1.4
81.06972	9.6
91.05393	7.5
93.06959	10.8
95.08537	2.7
105.06956	8.4
106.06517	1.7
107.08518	5.8
109.10131	1.7
116.98568	1.8
119.08496	6.4
120.08896	1.7
121.10089	1.5
128.63628	1.7
128.98541	2.2
133.10088	1.6
134.73322	1.6
134.99623	2.6
137.06047	1.3
143.01805	2.2
145.10062	1.6
146.99593	2.5
155.03827	3.6
160.11148	2.1
161.02908	8.5
161.11533	3.3
169.05333	3.0
180.41650	1.5
195.06955	2.0
235.10057	3.0
253.11046	57.3
271.12079	100.0
272.12341	1.9
275.19910	1.8
276.12570	2.0
276.20175	2.6
289.13089	9.4
294.13715	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	294.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	2.1
56.96500	74.6
66.30768	0.8
67.05428	2.4
69.03360	1.2
69.06982	1.2
71.95170	5.8
72.95953	4.2
74.97520	3.5
79.05417	1.8
79.90026	0.9
80.53506	0.9
81.06969	4.9
91.05414	1.3
92.64685	1.2
95.08527	1.3
98.97491	1.9
105.06966	1.6
107.04895	2.0
109.06470	1.1
114.77338	1.0
115.69189	0.9
116.98578	4.2
125.09633	1.0
134.99623	1.5
137.02707	2.3
141.02155	1.3
155.03770	4.9
170.77902	1.0
195.06931	1.6
197.08449	1.5
223.09952	2.2
241.11055	26.3
253.08630	1.6
253.11026	48.1
259.12103	76.4
260.91956	1.0
264.12299	1.2
271.12097	100.0
272.12555	1.3
276.12622	1.4
282.13779	1.1
289.13135	6.4
294.13742	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	294.1447
Annotation	Gln Phe
Peak:m/z	Relative Intensity
53.00243	0.6
56.04976	6.4
56.96492	0.8
57.03380	1.3
60.06380	0.6
69.03347	5.3
70.06502	2.8
72.08044	1.0
73.02824	0.7
78.90779	0.5
83.06022	60.2
84.04427	71.1
84.08068	3.3
85.02845	5.1
86.09628	3.7
87.04367	1.3
91.05412	0.7
97.02821	3.2
99.04376	0.7
100.01538	0.6
101.07076	5.8
103.05400	2.8
107.04905	0.8
115.03896	0.8
120.08055	100.0
121.08422	0.7
127.03807	0.8
129.06557	1.2
129.10254	1.1
131.04895	0.9
132.95776	1.0
133.04936	0.7
144.95811	0.9
149.05998	0.9
150.96851	1.2
166.08600	22.1
186.09076	7.3
186.96783	0.6
198.16934	0.6
230.12817	3.8
231.11214	9.3
232.09602	0.8
271.94391	0.6
276.13361	24.2
277.11670	12.9
294.14246	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01803	0.9
56.04062	0.7
56.04962	1.7
57.03356	1.6
59.03658	1.5
60.84288	0.7
61.01073	1.1
66.84444	0.7
68.04939	1.9
69.03345	11.8
69.06991	17.3
70.06507	1.4
72.04408	1.2
73.02814	1.3
80.04934	0.9
81.03321	3.5
84.04414	1.4
84.08055	5.0
85.02839	8.4
86.09625	100.0
87.03123	12.7
88.03905	4.2
96.04395	1.6
97.02820	11.1
98.09628	18.3
99.04364	3.3
100.03881	3.1
100.11171	1.6
112.03921	8.4
114.05477	3.4
115.03853	0.7
116.10693	7.5
120.08028	1.9
126.05482	0.9
127.03870	7.2
128.10670	8.6
132.10159	29.0
136.07538	4.4
138.05444	1.1
142.04971	1.7
143.05736	1.9
144.06514	1.0
144.10175	7.4
154.08574	12.8
161.06795	4.7
164.06982	1.6
164.10660	1.6
168.10187	1.3
170.11697	1.3
210.11162	1.8
212.12752	12.2
230.13820	43.3
248.14966	6.2
258.13260	16.0
276.14359	42.7
277.11688	4.3
294.15359	1.4
295.12692	4.2
297.80820	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1544
Annotation	CHEBI:43892
Peak:m/z	Relative Intensity
53.39481	1.6
54.81613	1.7
55.01805	2.9
56.04952	1.9
57.03347	9.5
58.02890	1.9
58.79151	1.5
59.03661	4.5
66.27222	2.1
68.71938	1.7
69.03342	21.3
69.06969	12.9
69.97899	1.7
71.04877	1.8
72.04414	4.0
72.75396	1.8
72.90345	1.9
72.91180	1.8
73.02813	2.7
81.03326	8.5
84.04378	2.5
84.08055	3.4
85.02813	16.8
85.71474	2.0
86.09621	89.2
87.03114	31.6
88.03906	48.7
90.38367	1.9
96.04424	2.4
97.02827	28.7
98.05991	2.4
98.09612	21.9
99.04352	9.0
103.03883	2.1
110.05947	3.4
111.04320	1.9
111.05552	1.9
112.03890	20.9
114.91457	2.0
116.10658	7.6
125.15710	1.8
127.03834	17.0
128.10689	16.2
132.10129	20.7
138.05434	4.3
140.10753	2.4
143.05733	10.8
144.10146	9.3
156.06516	2.8
157.12779	1.9
161.06726	15.4
164.10706	7.7
170.11740	3.0
194.11729	2.4
210.11192	8.1
212.12787	34.4
220.07948	2.0
230.13812	100.0
248.14868	8.3
258.13269	57.3
276.14322	99.6
294.15427	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	294.206
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
55.01800	0.2
55.05444	0.3
57.07001	0.3
65.03846	0.2
66.04646	0.2
67.05416	0.6
69.06976	0.1
71.08519	0.2
79.05396	1.0
81.06963	2.0
88.07554	0.2
89.95625	0.1
91.05398	0.7
92.10866	0.1
94.04113	3.1
95.04924	0.2
100.80674	0.1
105.03316	0.2
106.78066	0.1
107.04915	0.3
109.06435	0.3
121.00436	1.8
122.03591	8.9
123.11694	1.2
130.00969	0.6
137.05948	100.0
138.06293	1.1
143.01779	0.7
145.16965	0.1
145.18935	0.1
149.02287	0.1
154.67998	0.1
158.15344	1.3
170.15363	0.9
177.00153	0.8
217.02577	0.6
244.37030	0.1
294.20673	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	294.2059
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
55.05442	0.5
57.07000	1.4
67.05440	0.3
69.05835	0.3
70.33179	0.3
70.49545	0.3
71.08517	1.1
78.36372	0.3
79.05395	0.4
81.06960	1.4
83.08519	0.3
91.05385	1.2
94.04118	3.3
122.03593	10.1
137.05951	100.0
138.06300	1.5
141.12740	0.6
144.26756	0.3
158.15382	0.7
171.16971	0.3
270.89734	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00254	2.1
53.03878	2.1
54.54150	1.5
55.05186	2.6
55.05452	78.9
57.07014	19.6
58.02896	100.0
67.05422	34.3
69.03358	3.3
69.06988	74.0
71.08534	9.9
71.46735	1.8
74.05988	2.1
74.98215	1.7
76.55770	1.6
79.05399	9.0
81.06979	39.8
83.08539	29.6
85.10082	2.4
86.05980	6.8
88.02155	2.0
91.05388	8.1
93.06950	9.4
95.08528	38.0
97.06446	2.2
97.10104	14.0
99.04358	1.6
100.07551	12.2
101.29218	1.5
105.06963	3.9
107.08535	7.3
109.10095	16.6
114.09122	15.3
119.08541	2.9
121.10122	3.2
123.11646	6.6
128.10646	11.1
133.10158	2.0
137.05971	11.9
142.12262	4.0
147.11632	2.0
156.13820	3.0
165.12604	1.8
178.75795	1.8
198.18474	2.3
242.12846	1.7
245.22530	2.7
247.39174	1.9
263.23740	2.7
294.27887	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	294.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05227	7.1
55.05453	90.8
55.36453	6.9
57.06999	11.0
58.02903	100.0
67.05415	35.9
69.06988	83.9
79.05419	10.9
81.06968	21.3
83.08545	14.2
95.08533	40.5
100.07520	7.9
103.61821	9.2
109.10049	12.1
128.10666	9.9
135.14375	10.4
142.12292	9.1
181.53902	9.5
220.08499	8.4
220.54774	8.6
294.27875	15.2
303.72055	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	295.1018
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
50.18343	0.8
53.03872	1.8
55.01804	2.0
55.05431	1.7
57.03104	1.2
57.03373	29.4
58.82320	0.8
59.04911	4.4
60.04435	1.3
61.02834	3.6
62.45830	0.8
65.03825	0.8
69.03344	100.0
69.06984	1.3
70.06493	4.9
71.01255	3.3
71.04900	3.4
72.08044	5.9
73.02827	6.3
75.04391	6.8
79.05383	1.1
79.89804	1.0
81.03332	12.7
83.01245	0.8
83.04884	2.1
84.04406	1.8
84.08057	8.6
85.02824	62.4
86.09622	6.9
87.03873	1.3
87.04387	35.5
91.05389	4.3
92.10381	1.1
95.04890	1.4
97.02817	50.9
99.04377	8.2
103.03883	6.1
109.02810	3.4
109.05160	0.9
110.07111	1.6
111.04370	3.7
115.03882	28.1
117.05404	1.0
120.08008	3.7
120.97816	1.0
123.04327	3.3
124.77781	0.9
125.02166	0.8
127.03844	7.0
128.58389	0.8
129.10225	2.0
129.37886	1.0
133.04913	21.3
136.07510	3.5
137.05927	1.0
145.04939	11.7
150.07710	1.7
151.03853	3.1
169.04964	1.7
194.03844	0.9
195.51915	1.0
197.98735	0.9
227.58028	1.0
241.07138	1.8
277.09018	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	295.102
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
51.53870	1.1
53.03872	2.5
55.01802	1.8
57.03138	1.6
57.03371	28.1
59.04929	3.5
59.17906	1.2
61.02847	3.0
63.40845	1.1
64.33596	1.2
69.03346	100.0
73.02818	7.0
75.04367	2.9
81.03342	14.0
83.04881	1.8
84.23116	1.4
85.02824	53.3
87.04397	26.3
95.04910	1.7
97.02819	44.3
99.04359	7.9
103.03830	5.2
109.02814	3.1
111.04390	1.8
115.03880	22.2
118.26189	1.4
120.08042	1.7
123.04344	1.7
127.03875	10.7
133.04936	19.8
145.04936	13.2
169.04860	1.9
246.15823	1.5
259.08066	1.7
286.44955	1.5
286.81561	1.4
295.10135	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1022
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
50.42357	1.2
53.00235	1.7
53.67487	1.2
55.01803	2.3
56.52048	1.1
57.03373	33.1
59.04921	1.9
61.02852	2.8
68.71816	1.2
69.03350	100.0
71.04909	2.0
73.02812	7.6
75.04397	3.1
80.67813	1.5
81.03337	13.4
83.04886	1.5
84.04400	2.0
85.02343	2.6
85.02833	61.0
87.04398	33.9
92.63744	1.4
95.04882	2.1
97.02825	51.7
99.04382	12.2
103.03857	8.7
103.35365	1.4
109.02796	2.7
111.04412	1.8
115.03885	30.9
117.05396	1.6
120.08022	2.3
123.04341	2.5
127.03885	10.8
133.04936	28.7
139.03784	1.8
145.04932	11.9
162.33830	1.3
169.04845	2.8
251.16446	1.6
277.08981	6.0
278.48337	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1022
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.00248	1.8
53.03886	1.3
55.01799	3.9
56.04973	1.3
57.03376	36.7
59.04922	4.8
59.71511	0.8
60.04455	1.2
61.02858	3.6
68.92140	0.7
69.03350	100.0
69.06983	1.1
70.06509	4.1
71.01241	2.2
71.04907	1.6
72.08062	0.8
73.02836	5.5
75.04386	5.8
75.61344	0.7
79.05392	1.0
81.03337	14.9
83.04913	1.7
83.05984	0.9
84.04418	5.6
84.08067	48.8
85.02827	71.7
85.08399	5.6
86.09626	13.5
87.03160	1.7
87.04392	35.8
87.09959	1.1
88.03917	6.2
88.14089	0.8
93.92172	0.9
95.04881	1.3
97.02823	59.8
98.09623	1.7
99.04366	9.6
101.02299	0.9
101.10726	1.0
103.03886	5.1
107.04936	1.0
109.02832	3.6
111.04397	1.5
111.07441	0.8
112.03910	2.1
112.61658	1.0
115.03880	32.3
117.05485	1.0
120.08012	8.8
123.04391	3.5
127.03866	10.6
128.10609	1.0
129.10202	6.2
132.10179	2.2
132.95793	1.8
133.04921	27.0
136.07561	1.7
144.10193	1.1
145.04941	12.3
150.96913	2.0
151.03894	1.2
154.08627	1.0
161.04358	0.9
166.08582	1.0
169.04933	3.4
186.96790	1.7
205.07088	1.1
210.11266	1.0
212.12735	2.1
213.12950	0.9
230.13788	9.0
231.11249	1.0
231.14232	5.8
241.06860	1.2
258.13297	1.9
259.08066	1.4
259.13507	2.0
276.14447	6.2
277.09167	1.5
277.14703	5.4
294.18124	1.3
295.12857	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.115
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81683	0.3
55.05441	1.1
56.04961	1.6
57.03379	2.7
57.04480	1.1
60.04444	0.4
61.02845	0.4
69.03343	7.2
69.06985	0.5
70.06509	3.6
70.79507	0.2
71.06829	0.3
71.78719	0.2
72.08064	3.0
73.02818	0.5
74.05983	0.3
75.04408	0.3
79.05402	3.6
79.44978	0.2
81.03336	1.8
84.04424	19.0
84.08054	4.0
85.02822	8.4
86.09644	2.1
87.04393	2.2
87.07990	0.3
91.05375	0.3
91.25360	0.2
94.03983	3.6
96.05495	0.6
97.02821	4.1
98.97508	0.4
99.04397	0.4
99.09122	0.2
102.05485	0.6
103.03880	0.4
103.05411	0.4
106.06487	1.6
107.04896	20.9
108.04359	0.3
109.02785	0.4
112.05034	0.5
115.03886	1.4
116.98584	0.3
119.03509	0.3
120.08054	3.2
123.06612	2.4
127.03870	1.3
129.10201	1.7
130.04961	4.2
131.04889	2.9
133.04976	1.6
135.05368	0.3
136.07504	0.4
145.04939	1.2
146.11505	0.2
147.07649	0.3
148.06136	0.3
149.05951	3.4
150.07719	100.0
151.08104	0.4
166.08633	2.1
181.13354	0.3
232.09633	0.3
278.11169	0.5
295.11758	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1648
Annotation	Tyrosylleucine
Peak:m/z	Relative Intensity
50.50434	0.3
55.01794	0.3
55.05442	1.2
56.04962	1.7
56.96484	0.5
57.02729	0.3
57.03360	1.6
60.04444	1.3
61.01079	0.3
64.26122	0.2
65.03854	0.4
67.05431	0.3
68.10233	0.3
68.98381	0.3
69.03344	6.3
69.06998	2.6
70.02867	0.3
70.06134	0.6
70.06503	10.8
71.04922	0.3
71.06837	0.4
72.08063	5.4
73.02827	0.7
74.02338	1.1
74.05989	0.7
75.04398	0.5
79.05371	0.3
81.03313	1.2
84.04421	8.4
84.08060	12.7
85.02816	4.4
86.03171	0.3
86.09620	18.2
87.04379	2.2
87.09949	0.3
88.03917	0.4
91.05398	38.5
93.06957	0.4
95.04903	0.5
95.06009	0.3
97.02810	4.5
98.97490	0.4
99.04377	0.4
102.05445	1.0
103.05374	1.1
106.06544	0.3
107.04871	1.9
109.06452	1.2
110.07108	2.6
112.08669	1.3
115.03870	1.7
115.08624	0.5
116.98536	0.5
118.06483	2.2
119.04889	26.7
120.08050	8.5
121.06470	2.6
123.04398	0.5
127.03859	0.4
129.10205	4.7
130.06454	0.3
130.08612	1.0
132.10147	1.6
133.04906	1.0
134.99602	0.4
136.07542	100.0
137.05914	0.3
137.07883	0.4
139.03835	0.4
145.04912	0.6
145.62262	0.3
147.04361	0.7
147.11212	0.5
148.04730	0.5
150.07706	0.6
151.03853	0.5
156.07930	0.5
166.08604	1.5
168.33047	0.3
186.09058	0.5
221.10762	0.4
237.02785	0.3
249.15851	0.3
277.11804	0.6
278.13828	0.6
295.08850	0.9
295.16379	4.2
305.11194	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2264
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
51.58266	2.5
53.00251	3.2
53.03889	3.4
55.01803	28.1
55.05448	84.3
56.96495	12.9
57.03363	5.9
57.07005	5.0
67.05428	100.0
69.03342	16.6
69.06983	38.5
71.04914	3.8
71.08544	50.6
71.24934	2.5
74.47633	2.7
75.03024	2.9
75.75745	3.3
76.48890	3.1
79.05400	57.9
81.03331	20.7
81.06966	74.3
83.04889	20.1
83.08530	37.2
84.04411	4.7
85.02823	4.4
85.06461	4.1
91.05412	35.4
93.06963	60.1
94.72703	2.8
95.04861	16.7
95.08530	38.1
97.02812	5.3
97.06454	6.6
97.10106	25.8
98.97524	5.2
99.08025	27.2
102.96749	3.1
105.06958	33.8
107.04910	3.9
107.08543	34.2
109.06454	6.2
109.10106	19.2
111.08012	5.4
116.98566	4.0
117.15872	2.5
119.08522	16.4
120.43066	2.9
121.10091	15.1
123.11600	2.7
125.09593	15.1
129.06960	5.1
131.08481	5.5
133.10077	15.0
135.07976	4.4
135.11627	6.4
145.10094	7.5
146.99672	3.5
147.11667	4.8
149.13197	4.7
151.11139	40.0
161.13214	7.0
163.11176	15.0
164.08340	3.1
165.12582	4.9
179.14305	5.5
182.07593	3.6
186.37115	3.2
187.73698	3.2
189.00697	3.8
189.11232	6.0
203.91454	3.8
241.19470	5.6
249.10336	3.6
277.21524	66.2
295.18872	3.9
295.22552	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	295.2263
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
50.64240	2.5
52.88649	2.4
53.00236	2.7
53.03885	24.8
54.82035	2.6
55.01806	15.3
55.05449	31.3
57.07013	6.4
64.33803	2.8
66.35989	2.6
67.05420	61.0
69.03349	5.8
69.06985	55.8
79.05408	39.1
81.03333	100.0
81.06969	43.8
83.04893	25.2
83.08541	7.0
84.04446	3.8
85.02840	5.5
91.05408	29.4
93.06953	36.8
95.04897	44.3
95.08534	17.5
97.10149	5.4
105.06976	25.7
107.08544	21.7
109.06480	4.0
109.10095	13.1
119.08537	15.8
120.08109	5.6
121.10069	4.7
125.09479	3.3
129.06926	4.2
133.10104	17.2
137.05893	4.1
143.08545	2.8
147.11562	3.3
149.13237	6.2
151.11150	25.3
159.69229	3.1
161.13321	4.9
163.14818	3.4
241.19569	3.4
245.73454	3.0
259.20322	4.0
277.21548	52.2
295.22498	3.4
295.49463	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.00249	8.0
53.03882	9.8
54.81236	4.7
55.01809	19.6
55.05446	62.0
57.03380	7.8
57.07005	63.1
67.05428	63.8
69.03355	7.1
69.06988	40.0
71.04906	5.8
71.08537	4.6
79.05408	59.7
79.13244	4.2
79.87703	3.3
81.03340	42.9
81.06980	71.9
83.04900	27.6
83.08526	25.0
85.10101	100.0
90.60542	4.0
91.05399	71.1
92.10255	8.3
93.06974	68.6
95.04887	40.5
95.08525	49.6
97.06441	15.1
97.10081	10.0
102.44537	4.0
105.06979	49.9
107.04910	45.2
107.08546	21.0
109.06467	6.1
111.08027	7.6
113.09586	69.3
117.06916	4.8
119.08537	21.9
120.08044	8.5
121.10108	6.9
123.07999	4.1
129.06944	4.9
133.10069	7.8
135.11667	4.7
145.10159	4.7
147.11661	17.8
149.09601	19.2
149.13274	6.2
161.13245	8.0
161.42386	4.1
163.11163	6.6
165.12700	59.9
175.11150	18.1
212.65126	4.5
259.20499	5.7
267.97748	4.1
273.42944	4.4
277.21536	71.9
295.22040	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	295.2265
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03893	1.9
54.22847	2.1
55.01805	11.8
55.05189	3.8
55.05448	100.0
56.02998	1.9
57.03345	2.2
57.71668	1.8
60.95547	1.8
67.05422	41.2
69.06989	23.9
71.04906	3.4
79.05397	23.6
81.03319	9.9
81.06966	44.1
83.04897	9.8
83.08530	71.5
91.05409	39.5
93.06973	24.5
95.04882	14.3
95.08546	15.5
97.06454	5.3
99.08005	2.1
105.06961	29.9
106.82343	2.0
107.08538	18.7
109.06440	5.2
109.10066	5.2
111.08018	12.0
111.65078	2.1
113.54725	2.3
119.08517	14.4
121.10075	10.0
123.11663	3.3
129.06900	8.9
131.08540	5.4
133.10092	16.8
137.05920	18.0
138.06239	10.4
139.11185	4.8
145.10103	3.0
147.11647	19.1
149.09543	8.4
149.13202	12.2
151.11139	5.2
157.10054	9.9
163.11061	2.6
165.12721	12.5
167.54715	2.4
175.11154	5.6
254.36055	2.3
277.21533	26.7
295.22675	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
53.00250	2.9
53.03895	4.4
53.88800	2.8
55.01814	30.6
55.05449	75.5
56.96506	4.0
57.03371	10.8
57.07011	17.8
58.45620	3.0
60.29652	2.5
61.25682	2.8
65.03849	3.3
67.05430	100.0
68.90832	2.7
69.03349	16.4
69.06986	44.7
71.04918	5.3
71.08538	13.8
77.97342	2.9
79.05405	61.5
81.03348	19.8
81.06519	3.9
81.06979	92.0
83.04896	28.9
83.08545	38.9
83.20318	2.7
84.04448	5.6
85.02824	6.3
85.06453	4.4
87.04389	2.7
91.05394	42.3
93.06981	60.9
95.04890	14.9
95.08528	52.9
96.51637	2.8
97.06468	11.5
97.10087	24.3
98.97519	3.0
99.08019	5.8
105.06979	27.1
107.04889	4.2
107.08530	39.6
109.06467	4.3
109.10092	25.3
111.08041	14.9
113.09573	4.3
117.06989	5.1
119.08533	22.8
120.08046	22.5
121.10135	12.7
123.08008	3.7
125.09561	6.9
131.08583	3.8
133.06383	7.1
133.10098	17.4
135.11638	5.9
137.05984	13.3
137.09587	5.1
138.06323	5.3
139.11205	5.9
145.10062	3.4
147.11668	13.6
149.13248	3.6
151.11108	4.3
161.13185	4.4
163.14764	3.4
165.12737	14.4
172.95334	3.9
175.11137	3.9
175.14816	4.2
179.14235	3.3
189.00661	4.2
189.11244	3.5
207.09099	3.6
259.20319	5.2
262.11331	3.2
277.21539	69.5
278.24417	3.3
295.22543	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	295.2265
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
55.05439	41.8
63.24314	5.2
67.05434	78.3
69.06974	26.3
70.89124	5.6
71.08549	80.3
76.24303	6.5
79.05411	84.7
81.03341	12.5
81.06982	66.3
83.04899	12.5
91.05395	55.8
93.06969	100.0
95.04886	14.5
95.08530	48.2
97.06449	9.9
99.00499	7.0
99.08015	14.9
105.06982	28.3
107.08531	45.6
109.10103	13.5
112.88811	6.0
113.79477	6.3
119.08522	8.5
121.10069	27.5
133.10057	14.8
135.11610	33.0
149.13171	8.5
151.11188	15.4
153.12654	7.6
161.13222	8.8
179.14273	87.5
277.21597	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2264
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
52.47084	5.0
53.00245	6.9
53.03876	35.9
55.01801	33.5
55.05450	62.4
57.07014	14.7
57.58421	5.6
67.05425	95.3
69.03355	11.2
69.06982	52.7
77.51518	5.7
79.05412	77.2
80.41872	5.7
80.55195	6.7
81.03335	91.3
81.06966	100.0
83.04877	38.8
83.08528	29.0
85.02836	10.5
91.05401	53.9
92.10246	13.1
93.06977	89.7
95.04906	55.1
95.08549	51.0
97.02881	8.9
97.06428	12.4
105.07001	56.3
107.08526	30.6
109.06431	13.3
109.10084	15.2
111.08002	11.3
115.03843	6.9
119.08539	15.7
120.08035	15.4
121.10083	12.4
123.07985	7.5
131.08560	11.6
133.10078	32.6
147.11607	15.9
151.11121	30.4
161.13254	10.3
223.12079	7.8
231.21045	6.9
275.19861	8.3
277.21606	89.2
307.55579	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2264
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.00238	6.6
55.01810	100.0
55.05450	76.0
56.96498	27.1
57.03358	10.4
57.06995	11.3
67.05425	69.8
69.03345	50.8
69.06979	46.2
70.09960	5.5
71.04886	8.7
71.08531	16.8
73.55128	6.1
79.05400	50.1
81.03320	15.2
81.06958	85.2
82.36594	6.3
83.04873	16.1
83.08522	12.8
84.04441	6.1
85.02808	29.0
85.10071	6.8
87.04372	10.1
91.05420	53.9
93.06968	62.5
95.04876	32.3
95.08521	53.8
97.02747	6.6
97.06450	16.5
98.97515	10.0
99.07972	11.0
105.06946	40.1
107.08526	33.1
109.06446	10.9
109.10124	25.0
111.08030	67.5
112.75967	6.5
116.98536	11.8
119.08526	31.9
120.08003	30.5
121.10085	16.2
133.10094	30.4
134.99635	13.0
147.11697	12.3
149.09613	9.4
151.11159	25.1
161.13292	12.0
163.11040	6.4
165.00732	8.0
165.12657	22.7
189.00568	10.8
189.06372	7.0
190.96378	7.3
267.11407	9.9
277.21515	66.0
295.22583	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	295.2265
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
50.48751	4.9
53.00225	6.6
53.03887	7.3
54.81519	5.1
55.05452	75.8
57.03365	8.7
57.07012	57.6
67.05438	78.4
69.06997	58.5
71.04896	8.6
71.08515	6.0
79.05400	72.5
81.03344	50.5
81.06965	87.7
83.04901	51.0
83.08540	10.0
85.10108	100.0
91.05389	64.0
92.10866	8.9
93.06963	65.7
95.04889	39.8
95.08548	58.7
105.06948	41.5
107.04858	45.8
107.08527	38.8
109.06444	11.3
109.10132	11.2
113.09581	88.3
119.08533	27.8
121.10111	12.2
123.08026	13.0
131.08559	6.4
133.10123	11.7
137.09538	6.5
147.11658	11.0
149.09567	12.7
151.11162	11.9
162.42479	6.1
163.11124	10.1
165.12698	85.6
175.11142	7.4
277.21576	54.7
290.32825	6.2
295.22540	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
55.01813	53.7
55.05451	91.5
57.03372	6.7
57.07003	16.3
67.05429	100.0
69.03343	9.8
69.06994	39.3
71.04879	5.4
71.08534	20.2
75.80765	3.7
79.05409	74.1
81.03342	7.3
81.06968	97.2
82.23245	4.3
83.04899	20.9
83.08533	35.8
85.02817	6.5
85.10101	4.2
91.05392	44.9
91.42099	3.8
91.47962	3.8
92.33687	3.8
92.93948	4.5
93.06962	69.4
95.04870	17.3
95.08531	64.7
97.02819	3.9
97.06464	20.3
97.10118	8.9
105.06953	45.2
107.08546	35.7
109.06483	4.4
109.10105	20.0
110.52561	4.1
111.08009	17.6
113.09542	5.5
117.06983	6.0
119.08517	18.8
121.10080	22.0
122.87252	3.9
123.08018	15.6
131.08571	4.7
133.06462	41.3
133.10068	22.9
135.11670	14.7
139.11157	7.4
147.11667	4.9
151.11159	17.3
157.10147	3.8
161.13208	6.4
163.11099	5.7
165.12721	8.9
174.27654	3.9
176.76660	4.0
192.66190	3.7
221.10658	4.8
277.21530	58.8
295.22577	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27840	4.0
53.05655	3.4
54.77074	3.3
54.82001	3.4
55.01800	3.4
55.05451	33.3
57.07007	36.7
58.02895	100.0
69.06995	29.2
71.08533	10.0
71.63519	3.4
83.08514	9.5
92.10939	8.2
95.08556	5.4
96.95715	4.1
97.10094	8.3
100.07594	13.0
114.09113	8.6
125.13061	4.0
127.88370	4.0
132.49826	4.2
157.99944	4.5
170.25987	3.9
174.35481	4.0
191.12917	3.8
198.25670	4.0
203.86656	4.2
296.29486	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	0.3
55.01815	0.3
56.96500	0.8
57.03369	1.2
57.80181	0.2
63.26621	0.3
64.33347	0.3
67.05401	0.4
68.72058	0.3
69.03316	0.3
69.06991	0.5
72.28463	0.3
78.04622	1.8
79.05396	2.4
79.49339	0.3
84.08049	0.6
89.03832	0.5
91.05412	1.4
95.04879	0.7
98.97507	2.0
105.03350	0.5
105.54716	0.3
106.04112	1.7
107.04888	21.6
110.07098	0.5
110.81253	0.3
116.98535	2.4
120.08060	0.8
134.03604	4.2
134.99619	0.6
135.04356	7.4
145.02893	0.5
145.03969	1.9
149.02267	0.5
150.03189	0.4
152.04642	0.4
160.69748	0.3
161.02295	0.5
162.03075	23.5
163.03857	12.4
165.01794	0.5
167.07030	1.8
177.00650	0.4
177.01970	0.4
179.03342	6.4
180.04120	2.3
190.02557	31.9
191.03259	1.3
193.01202	2.9
194.02084	2.2
195.06438	1.8
205.01204	0.4
207.02856	10.9
208.03618	21.0
223.05960	100.0
224.06290	0.6
297.09598	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	297.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	0.6
55.01793	0.4
55.05446	0.6
56.96484	1.9
57.03369	5.5
59.04923	0.8
60.04440	0.6
61.02850	3.1
65.31264	0.3
67.05419	0.5
68.85632	0.3
69.03010	0.5
69.03350	9.1
70.02851	0.9
70.06503	3.4
70.53763	0.3
71.01262	0.8
71.04900	3.5
72.08064	3.6
73.02814	2.2
75.04373	0.8
79.05417	0.4
81.03323	0.7
81.04446	2.0
81.06968	0.6
82.05220	0.5
82.06529	0.4
83.06050	0.4
84.04443	0.9
84.08063	5.2
85.02820	5.3
85.03951	6.8
86.03142	0.4
86.09619	2.1
88.03906	11.7
88.07557	1.7
89.05904	0.8
89.86576	0.3
91.05395	5.8
92.10694	0.3
93.06976	0.4
95.04875	2.3
95.06041	0.5
97.02809	2.1
98.02326	0.5
98.97501	7.1
99.04387	2.7
103.05315	0.6
107.04891	5.2
109.55837	0.4
110.07101	7.4
110.97512	0.7
112.07561	0.4
114.09089	0.6
116.98568	10.5
117.05447	0.5
119.01820	0.7
119.04891	8.6
120.08054	2.4
121.06438	0.6
122.07066	1.6
123.04379	10.6
123.07885	4.1
124.08642	0.9
127.03896	0.5
128.98557	4.0
129.10188	1.5
131.54829	0.3
133.07576	16.4
134.06007	0.6
134.99622	8.6
135.06747	0.7
136.06198	1.7
136.07547	23.6
137.05949	0.6
137.07887	0.6
144.04688	0.7
144.06696	0.6
145.06544	0.7
145.07582	15.3
146.05963	2.2
146.99635	4.3
147.04341	4.1
153.00667	1.6
154.14093	0.4
156.07677	3.3
158.99602	2.2
160.07509	1.4
161.01170	0.5
163.08623	100.0
165.00645	0.9
165.05441	10.0
166.07187	7.4
167.05560	0.9
168.04181	0.7
170.99570	1.4
177.00671	5.7
182.08075	6.7
188.07111	0.7
189.00687	2.9
195.01697	0.8
198.05452	2.0
206.08134	0.5
207.01799	0.7
216.06464	2.7
219.01794	0.6
221.51375	0.4
233.09087	0.7
237.02672	0.7
237.08778	1.3
238.10030	0.8
240.74843	0.4
251.10199	3.9
262.07034	2.6
279.03738	2.2
279.10123	0.3
279.13293	1.6
288.91364	0.4
297.14368	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	297.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03872	0.8
55.01796	0.5
55.07660	0.3
56.96492	2.2
57.03135	0.4
57.03369	7.5
59.04921	2.0
60.04459	0.3
61.02843	2.7
67.05408	0.5
68.31094	0.3
69.03347	8.0
70.06506	2.9
71.01256	0.8
71.04900	2.3
72.08057	3.5
73.02821	2.2
74.02350	0.4
75.04378	1.5
78.11845	0.4
81.03335	0.6
81.04432	0.7
82.49030	0.3
83.06009	0.3
84.04405	0.6
84.08057	4.4
85.02827	4.3
85.03932	5.0
86.09612	1.8
88.03910	8.9
88.07561	0.6
91.05399	3.2
95.04868	1.5
95.06004	0.5
97.02819	2.7
97.75199	0.3
98.02346	0.6
98.97504	7.2
99.04370	1.6
101.05995	0.4
107.04884	4.0
110.07113	8.4
110.97499	0.7
111.37662	0.4
112.07525	0.5
114.09114	0.6
116.98553	6.7
118.06491	0.4
118.08540	0.4
119.04891	6.3
120.08028	1.4
122.07072	1.5
123.04367	9.3
123.07899	3.1
124.08661	0.6
127.03846	1.4
128.98560	2.9
129.10159	1.5
130.08601	0.5
133.06557	0.8
133.07567	19.6
134.99608	5.9
135.06786	0.6
136.06171	3.7
136.07536	19.9
137.07869	0.5
139.03874	0.6
144.04724	0.7
145.05002	0.6
145.07571	18.3
146.05972	1.7
146.99617	4.4
147.04381	2.7
147.09117	0.4
148.49208	0.4
153.00681	0.9
156.07652	2.1
158.99608	1.4
160.07469	0.9
163.08618	100.0
164.09018	0.5
165.00746	1.3
165.05438	7.5
166.07190	15.0
167.05591	2.7
168.04218	0.4
170.99591	0.7
175.08665	0.4
177.00685	5.0
182.08075	4.8
185.02983	0.4
186.04318	0.5
188.07039	0.4
189.00674	2.5
198.05489	0.8
204.05356	1.4
207.01657	0.8
208.07338	0.4
216.06555	1.7
219.01653	0.7
233.44342	0.4
237.02756	0.8
238.10106	0.4
251.10181	2.5
261.03049	0.3
262.07059	1.6
267.13379	1.5
279.03836	1.6
279.13367	2.5
297.14365	89.0
298.14578	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1844
Annotation	Crocetin dialdehyde
Peak:m/z	Relative Intensity
54.82055	3.7
55.05436	16.4
56.96489	5.4
61.60103	3.2
67.05428	7.0
69.06982	55.9
79.05405	8.0
81.06974	9.7
83.08530	8.6
91.05415	20.5
93.06980	8.7
95.08500	8.3
98.97511	34.3
105.06976	16.5
107.08560	4.8
109.10082	6.3
111.08010	7.6
114.37742	5.1
116.98577	23.4
119.08562	20.7
121.06474	10.1
121.10144	4.9
123.08005	6.9
125.09597	4.1
128.06178	4.5
129.06963	8.2
131.08502	4.7
132.05684	6.3
133.06432	19.7
134.99609	20.1
137.09637	5.5
142.07805	4.1
145.06448	16.7
145.10133	7.4
145.28433	4.5
147.08029	75.9
149.09616	8.4
155.08527	6.9
157.06567	5.4
158.07211	19.0
159.08034	23.2
161.09563	17.7
163.11148	8.3
167.08582	6.1
169.06499	4.3
170.07195	5.8
171.08012	26.3
173.09607	36.0
183.07970	15.3
184.08791	32.9
185.09595	52.7
187.11174	23.5
189.09061	5.9
193.53743	4.0
195.07986	7.0
197.09583	15.9
198.10353	17.1
199.11143	40.7
209.09555	8.7
210.10318	6.1
211.11145	31.3
213.09019	15.6
213.12749	44.7
222.10367	7.8
223.11134	9.1
224.11835	6.0
225.12737	16.8
227.14207	4.8
235.11049	6.7
237.12666	9.4
239.14273	9.1
241.12134	4.8
241.15732	16.5
249.12659	17.2
255.17491	4.3
264.15082	5.2
269.19012	5.2
274.97629	14.1
279.17395	35.6
292.98276	9.1
296.25525	100.0
297.18442	62.1
297.25873	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	297.2423
Annotation	Coronaric acid
Peak:m/z	Relative Intensity
55.01803	7.8
55.05455	56.5
56.05462	2.5
57.03363	21.1
57.07012	47.6
63.14151	2.8
64.02966	3.0
67.05430	100.0
67.69100	2.8
67.80669	3.1
69.06992	48.6
71.01251	12.2
71.04913	4.2
71.08548	41.2
79.05407	36.0
79.96315	2.9
81.03289	3.0
81.06979	90.8
83.04885	5.4
83.08540	30.4
83.43161	3.1
85.06428	4.1
89.49935	3.3
91.05403	13.3
92.07371	3.7
93.06980	42.3
95.08531	76.4
97.06446	5.1
97.10095	34.6
99.08018	12.7
105.07002	5.7
107.08536	31.6
109.10121	37.8
111.31195	3.8
113.05953	4.7
114.37119	3.3
119.08506	4.0
121.10094	18.3
123.11624	5.9
125.09574	15.8
133.77980	3.2
134.99586	6.8
135.11652	13.2
147.11664	6.1
149.13185	3.5
169.15852	18.9
183.13783	97.2
189.11118	4.3
243.20898	4.3
251.23582	18.3
261.22083	7.7
279.23181	45.2
297.24133	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	297.2422
Annotation	(9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid
Peak:m/z	Relative Intensity
53.03881	2.9
55.05444	16.9
57.07013	47.8
57.78838	3.2
58.62474	2.8
63.06074	3.2
67.05428	54.2
69.06973	18.1
79.05408	20.1
81.06985	40.7
83.04903	5.1
83.08537	15.1
84.98021	3.4
85.10104	100.0
85.20298	3.2
90.61883	3.3
91.05410	36.2
91.48895	3.1
93.06976	29.8
95.08535	40.2
97.15921	3.3
98.97530	4.6
105.06976	17.9
107.08520	8.8
109.10110	6.0
111.08000	4.3
113.09582	75.8
116.98590	5.2
121.10132	5.9
131.08545	5.9
133.10101	44.7
135.11626	4.4
144.72034	3.4
149.09605	6.7
149.13251	18.1
151.11165	7.9
165.12614	3.9
167.14291	5.9
216.75946	3.8
242.53294	3.3
243.32184	4.0
261.22113	4.6
279.23105	76.6
291.12268	4.6
297.24316	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	298.0966
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
57.03365	0.1
58.43391	0.1
59.66728	0.1
61.01078	5.9
61.07441	0.1
69.03339	0.4
70.06507	0.1
71.01254	0.1
75.02612	3.1
84.08077	0.1
87.05497	0.1
94.03979	0.5
97.02814	1.3
103.02086	0.5
104.17267	0.1
110.07058	0.1
116.98563	0.1
119.03513	0.8
136.06158	100.0
137.04591	0.7
137.06612	0.2
145.03186	0.7
163.04187	0.6
164.07181	0.1
234.67937	0.1
298.09622	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	298.1142
Annotation	Nelarabine  
Peak:m/z	Relative Intensity
50.49265	0.1
55.01804	0.3
55.05449	1.9
57.03362	0.8
57.04496	0.2
59.04929	1.6
61.01074	0.2
61.02839	0.3
61.50647	0.2
61.99511	0.2
69.03333	1.3
70.06479	0.3
71.04892	0.2
72.08059	1.0
73.02838	0.3
76.58411	0.2
81.03329	0.4
83.04890	1.3
84.08041	0.4
85.02839	2.2
97.02792	0.5
101.05955	6.0
107.23862	0.2
107.75336	0.2
109.05088	1.7
110.03445	1.0
119.06995	1.4
120.07932	0.2
128.04507	1.5
135.02898	0.4
136.06142	2.9
136.07607	0.3
145.04953	0.3
148.06129	0.2
149.04573	4.4
152.05638	2.4
153.04030	4.0
161.72063	0.3
163.08603	0.8
166.07202	100.0
167.05603	15.7
167.07391	0.8
173.87361	0.2
298.14423	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	7.6
57.05756	0.4
61.01098	0.2
69.03323	0.2
72.08067	100.0
73.08420	0.2
75.02615	0.2
85.02840	0.4
116.87279	0.2
118.08596	34.2
129.18385	0.2
136.06146	3.2
148.08688	0.3
166.09738	0.2
193.10785	1.1
239.11322	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	1.0
53.94762	0.8
54.81676	1.0
55.01791	1.5
55.05436	1.1
56.04973	1.3
56.96490	4.7
57.03367	2.5
59.04932	80.1
61.02848	5.4
69.03349	15.1
70.06520	4.5
72.08064	5.9
73.02810	2.3
73.06465	79.9
81.03311	3.7
83.08536	1.5
84.04417	1.3
84.08083	1.4
84.72084	1.1
85.01127	1.0
85.02819	21.9
85.06425	0.9
86.09617	1.6
87.04398	1.4
89.80050	1.0
91.05396	6.5
91.07515	2.4
97.02806	8.3
98.97511	8.7
99.04369	1.9
101.05950	100.0
103.05418	1.3
109.02831	1.6
110.07108	1.5
116.98579	10.1
119.04929	6.7
119.07002	46.0
120.08060	1.6
121.08392	1.1
123.04403	2.4
127.03890	1.8
129.10222	1.6
134.99622	9.9
136.06161	20.7
136.07552	15.9
145.04935	1.7
151.80667	1.3
153.00655	4.3
161.01233	1.0
161.02855	1.2
172.95251	3.7
173.05968	1.5
177.00517	1.2
188.06984	1.8
190.96230	2.3
198.05428	1.9
216.06528	3.9
234.07567	2.4
252.08675	2.0
274.97565	1.4
292.98447	4.0
301.64008	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2739
Annotation	Palmitoleoyl-EA
Peak:m/z	Relative Intensity
52.02183	1.4
54.61929	1.2
54.81013	1.5
54.81266	1.5
55.05445	20.9
56.96502	2.2
57.06995	7.6
62.06014	100.0
67.05418	15.9
69.06982	22.7
69.85885	1.7
71.08544	2.2
71.81377	1.5
74.93040	1.8
79.05386	3.3
81.06972	16.7
83.08539	11.1
91.05412	1.8
93.06968	3.7
95.08516	13.3
97.06489	1.7
97.10067	2.5
98.97496	3.7
107.08485	2.0
109.10090	5.9
116.98556	8.3
121.10075	3.1
134.99625	12.6
135.31454	1.6
136.06137	3.3
152.40782	1.5
162.29092	1.5
203.83037	1.5
216.66956	1.8
219.58090	1.5
228.88686	3.6
281.24487	3.8
292.98438	3.5
298.27332	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	298.2739
Annotation	Palmitoleoyl-EA
Peak:m/z	Relative Intensity
52.02183	1.4
54.61929	1.2
54.81013	1.5
54.81266	1.5
55.05445	20.9
56.96502	2.2
57.06995	7.6
62.06014	100.0
67.05418	15.9
69.06982	22.7
69.85885	1.7
71.08544	2.2
71.81377	1.5
74.93040	1.8
79.05386	3.3
81.06972	16.7
83.08539	11.1
91.05412	1.8
93.06968	3.7
95.08516	13.3
97.06489	1.7
97.10067	2.5
98.97496	3.7
107.08485	2.0
109.10090	5.9
116.98556	8.3
121.10075	3.1
134.99625	12.6
135.31454	1.6
136.06137	3.3
152.40782	1.5
162.29092	1.5
203.83037	1.5
216.66956	1.8
219.58090	1.5
228.88686	3.6
281.24487	3.8
292.98438	3.5
298.27332	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	298.2739
Annotation	Cassine
Peak:m/z	Relative Intensity
55.05452	31.9
56.04972	15.1
56.27147	1.4
56.96493	2.9
57.07010	3.7
58.02896	6.4
60.04459	1.5
62.15538	1.4
64.33398	1.5
65.03860	2.1
67.05424	47.4
68.04944	6.7
69.06992	26.2
72.04408	1.4
72.44582	1.3
79.05421	19.4
80.04929	3.4
81.06977	31.2
82.06496	20.2
83.08540	12.9
86.05970	2.0
91.05415	15.8
92.10790	1.8
93.06960	18.3
94.06487	8.9
95.04912	3.2
95.08535	20.9
96.08027	2.7
97.10098	3.3
98.05962	2.1
98.97512	11.7
100.07554	2.3
105.06969	8.3
107.07219	1.5
107.08543	6.4
109.10091	7.7
116.98553	14.2
119.08531	3.6
121.10083	2.4
129.08606	1.5
134.99622	9.3
135.11578	2.1
220.55992	1.7
250.25171	11.4
262.25430	1.9
271.02802	1.7
274.97433	3.1
280.26306	100.0
287.16122	1.7
292.98492	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	298.3102
Annotation	Palmitoyl N-Isopropylamide
Peak:m/z	Relative Intensity
53.00256	0.9
55.05439	0.9
57.07013	11.7
64.19148	0.7
69.06983	3.2
71.08540	7.9
74.05992	5.1
88.07547	17.3
88.11174	1.3
88.79188	0.8
93.95179	0.7
98.30727	0.7
100.59451	0.8
102.09126	9.0
114.37076	0.8
116.10651	3.3
130.12201	1.2
136.06116	0.9
138.80544	0.8
198.86911	0.8
200.51498	0.8
228.23163	39.4
231.67024	0.8
298.30991	100.0
298.34052	3.4
299.31326	1.4
316.08707	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.31
Annotation	Palmitoyl N-Isopropylamide
Peak:m/z	Relative Intensity
54.81855	1.7
57.06997	11.9
58.02881	8.7
59.97669	1.7
65.67760	1.7
71.08529	1.8
88.07543	4.8
102.09090	10.4
103.14542	1.6
116.10661	3.7
197.17770	2.1
237.70207	2.0
267.47806	2.4
270.90985	1.8
298.30975	100.0
298.34378	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	298.3102
Annotation	Palmitoyl N-Isopropylamide
Peak:m/z	Relative Intensity
57.07003	8.3
60.07819	2.1
60.08095	33.7
60.19392	1.4
71.08551	2.1
73.57414	1.2
73.98867	1.4
76.97992	1.3
78.73043	1.3
85.44872	1.4
85.50999	1.5
85.59489	1.3
86.05988	1.7
130.12238	2.0
140.74110	1.5
177.26027	1.9
195.67984	1.6
237.11296	1.8
264.52142	1.5
280.14709	2.0
298.30981	100.0
298.34302	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	298.3101
Annotation	Palmitoyl N-Isopropylamide
Peak:m/z	Relative Intensity
57.07001	9.7
61.89978	1.3
62.24927	1.6
63.57672	1.4
71.08538	3.6
72.04418	7.3
87.77097	1.3
102.09103	2.9
116.10669	2.8
130.12251	2.0
139.21503	1.5
214.11624	1.7
298.30963	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.3102
Annotation	Palmitoyl N-Isopropylamide
Peak:m/z	Relative Intensity
53.00246	0.4
55.01796	0.3
55.05437	2.0
57.03352	0.5
57.06739	0.6
57.07010	14.0
57.46679	0.3
60.07857	0.3
60.08089	4.3
63.73146	0.3
67.05416	0.7
69.06967	2.6
71.04901	0.7
71.08539	4.3
72.04462	0.3
74.05988	4.2
76.77920	0.3
81.06959	0.7
83.08530	1.6
85.10105	2.3
86.05991	0.4
88.07555	13.8
88.64603	0.3
95.08501	0.6
97.10099	0.4
102.09119	7.4
109.10069	0.5
110.71836	0.4
114.09130	0.5
116.10680	3.3
123.09379	0.4
130.12230	4.4
136.06165	1.4
144.13805	1.7
158.15346	1.4
256.26279	12.3
279.96451	0.4
298.30975	100.0
299.31201	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	299.1275
Annotation	Magnolignan E
Peak:m/z	Relative Intensity
52.47775	1.3
54.81783	1.4
55.05446	1.6
56.96486	6.4
64.98148	1.4
67.05434	2.7
69.03326	6.1
69.06984	2.2
81.06961	6.6
83.08503	1.7
91.05386	2.7
95.08535	4.0
95.34668	1.6
98.86992	1.6
98.97502	15.1
101.76098	1.6
105.06982	2.3
107.08537	2.1
116.98548	15.4
119.08507	3.8
121.10106	2.3
123.11741	2.0
134.99615	14.4
142.09512	1.9
144.40601	1.5
147.08009	13.0
152.60469	1.5
153.00677	3.4
161.09607	2.4
165.06926	2.7
166.07707	2.3
167.08563	1.8
171.07904	2.0
173.09647	2.0
178.07782	3.2
179.08487	2.9
181.06490	4.0
181.10048	3.2
183.08028	6.3
185.09520	2.1
187.07547	2.5
192.09283	7.4
193.10039	7.4
195.07997	44.7
196.08797	20.5
197.09575	3.7
198.06706	2.7
207.11613	12.1
209.09508	13.0
210.10361	53.0
211.07503	11.4
211.11136	13.2
212.08209	3.3
220.08737	6.9
221.09537	8.4
223.07487	23.5
224.08284	41.4
225.09013	7.6
225.12669	36.9
227.14235	1.8
235.01268	2.0
235.11137	11.7
237.09047	7.8
238.07845	1.8
238.09819	83.1
239.10599	100.0
241.08539	21.7
248.08295	3.5
252.96477	2.9
253.12161	83.7
256.10858	6.8
257.08115	2.0
263.10541	9.9
266.09366	12.8
271.13199	10.2
277.00418	2.1
281.11649	78.1
293.98996	1.8
299.12738	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	299.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31245	1.0
52.06232	1.0
53.03881	1.9
55.01802	7.3
55.05447	16.4
56.96498	2.4
57.03371	15.2
57.06999	2.4
61.02848	9.2
65.03829	1.1
67.05417	1.7
69.03348	81.9
69.06988	6.3
70.33499	1.2
71.04905	7.7
73.02814	2.7
79.05413	6.4
79.54783	1.1
80.77444	1.2
81.03339	2.8
81.06967	5.1
82.07307	1.3
83.04896	27.2
83.08525	1.1
84.17976	1.1
85.02821	29.2
87.04382	4.9
91.05395	16.7
93.06976	3.0
94.01739	1.4
95.08527	4.9
97.35159	1.3
98.97504	6.3
99.04379	3.0
103.03848	2.2
105.06975	11.2
107.08530	100.0
108.08887	1.5
109.06450	9.3
109.09134	1.3
111.04385	14.0
116.03905	1.3
116.98565	13.3
119.06003	2.3
119.08524	8.2
123.08013	2.6
126.11774	1.3
129.05421	16.9
131.86354	1.4
134.99606	10.6
135.08009	50.8
140.74602	1.2
147.06519	7.6
147.08014	6.5
153.00659	3.0
165.07527	5.5
223.93721	1.3
252.96315	2.0
293.98618	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31245	1.0
52.06232	1.0
53.03881	1.9
55.01802	7.3
55.05447	16.4
56.96498	2.4
57.03371	15.2
57.06999	2.4
61.02848	9.2
65.03829	1.1
67.05417	1.7
69.03348	81.9
69.06988	6.3
70.33499	1.2
71.04905	7.7
73.02814	2.7
79.05413	6.4
79.54783	1.1
80.77444	1.2
81.03339	2.8
81.06967	5.1
82.07307	1.3
83.04896	27.2
83.08525	1.1
84.17976	1.1
85.02821	29.2
87.04382	4.9
91.05395	16.7
93.06976	3.0
94.01739	1.4
95.08527	4.9
97.35159	1.3
98.97504	6.3
99.04379	3.0
103.03848	2.2
105.06975	11.2
107.08530	100.0
108.08887	1.5
109.06450	9.3
109.09134	1.3
111.04385	14.0
116.03905	1.3
116.98565	13.3
119.06003	2.3
119.08524	8.2
123.08013	2.6
126.11774	1.3
129.05421	16.9
131.86354	1.4
134.99606	10.6
135.08009	50.8
140.74602	1.2
147.06519	7.6
147.08014	6.5
153.00659	3.0
165.07527	5.5
223.93721	1.3
252.96315	2.0
293.98618	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30937	1.0
53.03900	1.8
55.01802	7.3
55.05444	15.7
57.03375	13.0
57.69265	0.9
61.02842	7.4
63.44645	1.2
67.05441	1.4
69.03347	92.0
69.60738	1.2
71.04905	6.8
73.02814	5.5
79.05415	1.4
81.03336	5.3
83.04895	29.9
85.02817	30.3
87.04387	6.2
87.34434	1.0
91.05397	11.1
98.97510	1.6
99.04360	4.1
103.03882	8.3
105.06985	10.4
107.08531	100.0
107.20271	1.1
109.06487	7.9
111.04386	18.7
116.98537	2.5
119.06016	2.3
119.08499	5.3
129.05432	20.9
135.08018	50.7
147.06541	10.2
158.99236	1.2
165.07556	5.9
172.16571	1.2
313.70648	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09849	0.6
53.03880	1.0
55.01805	4.9
55.05228	0.8
55.05447	13.7
56.96509	1.0
57.03142	0.6
57.03368	11.8
58.23531	0.6
61.02853	8.8
65.03854	3.3
67.05409	2.9
69.03345	84.8
69.06970	1.1
71.04895	6.8
73.02811	4.4
75.04390	0.8
79.05396	3.5
81.03321	3.2
81.06956	2.9
83.04893	28.3
85.02822	31.5
87.04375	5.5
91.05392	14.2
92.10790	1.0
93.06988	1.3
95.04883	0.8
95.38875	0.5
97.02823	0.9
98.97496	3.2
99.04379	4.5
101.05953	0.9
103.03875	4.8
105.06973	14.0
107.04889	0.9
107.08527	100.0
108.08877	0.9
109.06442	8.0
111.04382	15.8
116.98551	4.3
117.06956	0.8
119.05947	0.7
119.08507	4.8
129.05414	15.7
131.08490	1.1
133.10072	0.8
134.99629	2.6
135.08006	46.5
145.10034	0.9
147.06471	6.3
157.10088	0.9
165.07562	4.9
194.46040	0.8
199.14658	0.9
245.05048	1.3
281.18753	0.7
299.19992	1.2
320.27454	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	1.1
54.34092	0.6
55.01806	7.2
55.05448	13.2
56.38006	0.8
57.03367	12.4
61.02850	8.0
65.03856	1.3
65.95426	0.8
66.03633	0.7
67.05427	1.4
69.03342	86.5
71.04910	6.2
71.72475	0.8
73.02821	4.5
79.05399	4.2
81.03338	4.2
81.06958	0.8
83.04430	1.5
83.04891	28.3
85.02815	30.1
87.04375	6.1
88.73828	0.8
91.03857	1.0
91.05397	11.3
98.97485	1.3
99.04384	5.8
101.55045	0.8
103.03907	6.7
105.06958	11.3
107.04865	0.8
107.08527	100.0
109.06472	6.3
109.10118	0.8
109.36108	0.6
111.04382	16.1
116.98568	1.7
119.06000	3.6
119.08498	6.1
129.05424	18.2
134.99634	1.6
135.08000	51.7
139.21582	0.7
147.06470	8.4
161.02882	0.9
165.07530	3.8
244.10309	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1638
Annotation	Acerogenin A
Peak:m/z	Relative Intensity
53.00224	0.3
55.05444	0.4
56.96473	0.3
59.96628	0.3
98.97520	1.5
105.06969	0.4
105.26915	0.4
116.98550	1.5
129.06935	0.7
134.99625	0.6
136.00101	0.4
136.13219	0.3
142.07730	0.9
147.08012	0.5
155.08498	0.5
156.09303	0.6
157.06442	0.6
157.10104	0.6
159.07910	0.4
165.45895	0.4
172.08797	9.3
173.09561	0.6
185.09549	1.6
187.11156	5.5
196.08749	0.6
199.07544	0.4
200.08290	7.0
202.09833	0.8
207.11674	0.6
209.09604	1.4
210.10283	0.5
211.11105	0.4
215.10626	100.0
216.10922	1.5
221.13202	0.4
223.11118	6.1
224.11859	1.8
225.08969	0.4
230.58455	0.4
235.10999	0.9
237.09010	0.6
237.12717	0.5
238.09666	0.6
238.13470	2.0
239.10669	2.3
239.14174	0.8
249.12671	0.4
250.13480	1.5
251.10591	7.6
252.11328	2.5
253.12209	2.2
253.15826	1.8
263.14221	0.8
265.12177	6.1
266.12952	19.6
267.13342	0.5
279.13773	0.8
281.15274	29.0
299.16348	15.1
315.89603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2
Annotation	 (-)-Sonderianol
Peak:m/z	Relative Intensity
52.13620	1.1
55.05457	16.9
56.08974	1.2
56.96477	2.7
57.07011	2.5
67.05412	6.5
67.80061	1.3
69.03329	2.2
69.07005	2.5
71.99255	1.3
79.05399	2.2
81.06966	6.7
83.04871	1.5
83.08527	10.1
86.59351	1.2
89.40609	1.3
91.05388	5.3
91.88246	1.4
93.06960	3.6
95.08516	6.7
98.97492	7.4
102.53872	1.6
105.06967	2.2
107.08556	3.5
113.13160	1.5
116.98548	10.6
119.08541	12.7
121.06471	3.0
122.91913	1.6
128.06200	2.2
131.08517	2.4
132.05615	2.5
134.99614	8.6
135.48251	1.5
139.11142	1.9
143.08612	2.0
144.05614	1.4
145.06401	2.2
145.10034	2.5
146.07219	1.5
146.81200	1.7
147.08022	49.0
153.00710	2.6
155.08502	3.4
158.01353	1.4
158.07214	9.8
159.08025	14.7
160.64328	1.4
161.09543	2.9
167.08492	2.9
168.09303	2.9
169.10114	1.6
172.08774	8.2
173.09622	17.8
179.08606	1.8
181.06464	7.1
181.15410	1.7
183.11644	6.0
184.08751	11.9
185.09552	7.6
187.11157	28.9
193.10030	2.3
195.07941	2.3
196.08778	15.4
197.09557	10.2
198.10432	2.4
199.11134	24.1
201.12682	8.4
201.16621	1.6
203.78944	1.5
210.10376	2.5
211.11136	100.0
213.12743	2.7
223.11148	2.7
225.12589	11.3
227.14066	1.6
239.14178	2.9
252.96547	1.7
281.18866	19.6
293.99203	2.0
296.55420	1.7
299.20026	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	299.2003
Annotation	3-Hydroxy-19-norpregna-1,3,5(10)-trien-20-one
Peak:m/z	Relative Intensity
55.05462	15.0
56.96496	4.8
57.03357	3.1
57.07024	2.7
59.04951	2.1
67.05425	21.9
69.03352	4.6
69.06984	5.1
79.05392	8.9
79.12473	2.1
81.06963	4.9
81.35385	1.9
83.04891	3.1
91.05412	20.1
93.06964	9.9
95.08536	50.1
98.97504	11.5
105.06976	12.4
107.08530	13.1
109.10108	10.9
114.36199	2.9
116.98581	16.3
117.06961	7.4
119.08538	22.5
121.06444	3.6
121.10095	3.9
129.06960	4.1
131.08528	2.6
133.10106	8.4
134.99609	20.1
141.06940	4.2
143.08553	8.7
145.06453	3.9
145.10092	12.1
146.07260	2.1
147.08025	100.0
149.09552	2.5
153.00621	3.4
153.06990	2.9
154.07738	3.4
155.08533	9.5
157.10077	2.6
158.07219	17.8
159.08032	14.9
161.09570	15.4
165.06883	3.3
169.10043	4.4
170.07237	2.7
171.08012	13.5
172.08827	2.2
173.09583	50.1
175.11185	3.8
179.08476	2.3
181.06470	2.6
182.07240	3.4
183.07999	3.2
184.08842	13.5
185.09616	19.2
187.11176	8.7
193.10107	3.4
196.08777	4.4
197.09592	64.1
199.11172	43.8
210.02248	2.2
211.11151	31.2
212.12010	2.6
213.12695	3.2
215.10620	8.3
223.11107	2.8
225.12718	10.1
227.14421	2.4
238.13565	2.7
239.14334	3.5
252.96333	4.3
253.15886	20.2
281.18961	32.2
293.98880	2.9
296.73633	2.7
298.31012	2.5
299.20059	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	299.2002
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
52.16292	1.0
55.05442	5.5
55.41491	1.0
57.03355	1.7
63.92156	0.9
67.05415	7.2
69.03336	7.1
69.06988	2.1
79.05422	10.8
81.06976	14.6
83.04916	2.3
85.02816	2.7
91.05402	20.8
93.06960	29.8
95.04890	5.3
95.08519	13.5
98.97552	1.8
99.04342	4.9
103.39830	1.2
105.06973	60.5
107.08522	29.9
109.06466	28.9
109.10126	9.0
111.07999	1.4
117.06960	7.4
119.08534	40.3
121.06459	2.8
121.10086	16.1
123.08012	100.0
123.68947	1.1
128.06053	1.4
129.06956	5.9
131.08534	14.1
133.10074	6.5
135.08002	9.5
135.11630	6.7
135.12581	1.2
137.09566	17.3
142.07683	1.7
143.08525	10.8
144.09242	1.3
145.10100	12.7
145.80504	1.4
147.07990	1.7
147.11641	10.2
149.09561	4.5
149.13197	8.6
151.07454	9.7
155.08507	8.0
156.09332	1.9
157.10062	10.9
159.11612	7.9
161.09656	1.4
162.84756	1.2
163.11151	6.8
167.08528	2.5
169.10062	5.1
171.11647	10.8
173.13213	5.8
177.12711	1.9
179.08524	1.5
183.11633	7.8
185.09650	2.1
185.13231	7.1
187.11263	1.6
191.14415	1.2
195.11688	1.5
197.13228	6.0
197.36682	1.3
199.11186	1.5
199.14871	1.8
200.11922	3.1
201.12706	5.8
205.12265	2.3
210.13957	1.4
211.14758	5.9
213.16281	2.1
215.14191	4.4
225.12764	2.2
239.14229	2.8
239.18004	2.1
243.13707	6.1
253.19437	14.6
257.15265	2.1
257.16064	2.3
257.18869	28.1
271.20517	15.0
281.18857	16.4
289.12210	1.3
299.20001	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05440	2.7
56.96497	2.9
67.05415	2.7
68.40978	1.4
69.03336	2.8
69.06989	1.2
73.62443	1.1
79.05394	3.0
81.06978	9.3
83.04900	1.6
86.09620	2.6
91.05411	14.1
93.06985	2.7
95.08538	2.8
104.10658	5.0
105.06968	2.4
107.04894	1.5
107.08497	4.5
109.10099	1.7
117.06888	4.0
119.08536	23.4
121.06459	8.5
123.07993	5.9
124.99969	1.9
129.07027	1.8
132.05684	12.2
135.07980	1.4
138.52927	7.9
145.06459	1.9
147.08015	100.0
147.53514	2.9
158.07204	2.5
159.07976	7.8
159.11765	1.6
161.09621	2.4
169.06342	1.2
171.08025	2.7
173.09557	9.1
183.08057	2.5
184.07336	4.5
185.09572	2.7
187.11043	2.7
196.08669	1.7
197.09581	6.3
198.10362	2.2
199.11200	2.2
201.12691	3.0
210.10381	1.5
211.11179	3.0
213.12712	7.5
225.12645	1.6
228.97862	1.6
239.14333	6.3
257.15305	5.4
278.63718	1.4
281.18924	8.0
299.19931	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2005
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
52.82196	1.7
54.05851	1.6
54.30139	1.4
55.05446	4.2
56.96510	3.2
57.03373	3.2
57.06994	2.2
66.40188	1.6
67.05426	8.4
69.03336	9.7
69.06979	7.4
71.04903	3.9
72.80279	1.5
74.47643	1.7
74.70373	1.5
76.56020	1.7
79.05400	10.8
81.06968	18.9
83.04910	4.2
83.08550	3.5
85.02780	2.8
86.37623	1.8
89.88587	1.8
91.05401	24.2
93.06978	41.0
95.08531	15.2
97.06419	2.1
98.97507	8.0
99.04388	2.8
99.43945	1.9
102.97964	1.7
105.06974	54.7
107.08536	32.0
109.06478	27.1
109.10098	8.4
111.04345	2.1
111.08078	1.8
116.98608	18.0
117.06968	9.5
117.50107	1.8
119.08536	55.0
121.06467	3.8
121.10091	21.2
123.08022	100.0
123.09930	2.1
123.11663	2.2
129.06960	4.6
131.08508	14.4
132.05721	2.4
133.10085	8.2
134.99635	20.6
135.08026	10.7
135.11685	4.1
136.05994	2.0
137.09589	12.3
143.08522	11.9
145.10098	12.5
147.08038	48.6
147.11656	13.4
149.09596	2.2
149.13173	4.5
151.07570	3.4
155.08519	8.7
157.10078	10.6
159.07999	4.6
159.11662	8.2
161.09572	3.9
169.10065	9.5
171.11613	8.3
173.09576	2.4
173.13246	3.6
174.92636	2.1
177.12785	2.6
179.14273	2.4
183.11620	3.4
185.13132	2.4
187.11150	2.6
195.11707	3.2
197.13286	7.8
211.14798	4.1
213.12541	2.1
215.10623	2.6
220.49487	2.0
221.13293	2.1
230.93085	2.0
239.14339	3.5
252.96274	2.4
253.19437	11.7
257.15308	4.0
257.18887	21.4
269.07281	2.1
271.20483	15.9
281.18848	13.4
293.98541	2.2
299.19977	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	300.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06489	54.1
76.56773	40.8
77.87099	43.3
94.55033	45.9
173.22282	43.5
174.10823	41.0
256.67935	49.5
265.65417	55.1
300.08350	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00265	0.8
53.03899	1.2
54.81574	1.0
55.01815	1.3
55.05453	9.7
56.04969	1.4
56.96507	1.6
57.03371	1.3
57.62933	0.8
63.11369	0.8
65.03860	2.3
67.05434	12.8
69.03352	21.0
69.06982	4.9
70.06513	22.3
71.04901	4.8
72.08070	4.4
74.05963	0.9
74.50015	0.9
79.05415	9.8
80.80118	0.9
81.06973	9.7
83.04897	5.2
83.08559	1.8
83.52551	0.9
84.04424	6.0
84.08057	12.1
85.02870	1.2
85.06452	1.1
86.05973	1.3
86.09631	16.0
87.04343	1.1
88.41589	1.1
88.56870	0.9
91.05408	22.9
93.03355	3.5
93.06973	21.6
95.04903	31.1
95.08533	11.6
97.02814	2.1
97.06462	4.0
98.97504	1.7
99.04402	4.7
100.07543	1.1
100.11174	8.5
100.21869	1.0
103.05392	2.0
105.06979	42.4
105.39837	1.0
107.04910	3.5
107.08527	9.4
109.02840	1.8
109.06470	16.8
109.10102	6.1
110.07106	8.9
111.04385	19.1
111.08021	4.3
113.05990	6.7
115.05402	1.4
116.98541	2.0
117.06956	8.5
119.04897	2.3
119.08538	47.1
120.08064	4.8
121.02827	6.0
121.06464	21.6
121.10080	5.9
123.08039	20.3
125.05958	2.3
128.06172	3.9
129.06996	9.6
129.10188	4.7
130.07765	4.7
131.08540	23.2
133.06447	6.5
133.10089	10.7
134.99620	1.6
135.07059	1.9
135.08023	38.1
137.05968	2.0
137.09616	7.3
139.03902	1.9
139.07475	4.8
141.06943	5.1
142.07779	5.6
143.08545	13.2
144.09286	5.4
145.06422	9.0
145.10107	17.8
147.08032	23.8
147.11630	9.7
149.05968	5.0
149.09604	5.0
151.07509	1.2
153.06950	1.2
154.07799	1.2
155.08565	5.3
156.07651	1.5
156.09348	7.4
156.13814	4.1
157.06483	1.2
157.10121	10.6
158.07283	13.7
158.10831	4.3
159.08041	22.7
159.11673	23.1
160.08882	1.6
161.05951	1.6
161.09587	21.1
161.13185	2.0
163.07480	2.0
165.09053	10.2
167.08496	1.2
168.09323	5.2
169.10063	3.9
171.08009	4.0
171.11668	6.9
172.08832	13.2
173.06059	1.3
173.09631	12.7
173.13214	11.6
173.16502	1.3
175.07532	27.6
175.11111	18.1
177.00670	1.1
183.11720	7.0
184.08759	1.7
185.09628	1.4
186.10318	1.9
187.07355	1.4
187.11150	24.9
189.09085	6.3
189.12695	7.6
193.08569	5.5
193.10083	2.3
196.08788	2.2
199.11101	13.3
201.05365	1.5
201.12735	14.4
203.10664	12.8
205.12068	3.0
210.14958	1.4
211.11165	11.0
217.12244	9.4
219.13748	3.5
229.12134	11.4
235.13158	1.7
247.13242	32.1
265.14297	100.0
266.14612	3.9
283.20187	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	300.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01814	0.6
55.05435	0.9
56.04989	0.5
56.96491	0.8
63.12243	0.5
64.25998	0.5
64.53872	0.5
66.68461	0.4
69.06998	0.6
69.20918	0.5
70.06509	72.0
72.08054	4.4
83.06013	1.0
84.04433	5.9
84.08067	11.3
85.02837	0.8
86.09627	100.0
87.09948	0.8
88.03888	0.6
88.45881	0.5
91.05421	0.7
93.04453	0.6
95.06069	0.6
97.65622	0.5
98.97495	1.0
102.05486	1.2
109.87711	0.6
110.07111	11.4
112.08660	0.7
116.07042	95.6
119.04879	2.2
120.08056	0.6
127.75960	0.6
129.10201	3.4
130.04948	0.7
132.10220	0.6
134.99509	0.6
139.59860	0.5
143.57640	0.6
147.04381	1.2
153.54370	0.6
154.03432	0.6
157.13329	22.3
164.07489	0.5
166.99147	0.6
172.29155	0.6
179.06987	0.7
185.12788	6.3
232.20808	0.6
283.67606	0.6
301.12320	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	300.2894
Annotation	Palmitoyl Ethanolamide
Peak:m/z	Relative Intensity
52.51403	0.7
53.72317	0.7
55.05437	1.3
56.96493	3.3
57.07004	12.2
62.68954	0.7
63.19188	0.9
64.88237	0.7
67.05409	1.1
69.05182	0.8
69.06960	1.0
70.06500	13.1
71.08542	6.3
72.07351	0.8
77.65456	0.8
81.07001	1.3
84.08064	1.7
85.10101	1.4
86.09620	1.0
88.07545	5.9
93.06930	1.2
95.08521	1.7
97.06470	0.8
98.97518	3.7
100.07547	4.6
105.07001	1.2
114.09110	23.7
114.32736	0.9
114.37551	0.8
116.98566	5.3
119.08550	1.1
126.98985	0.8
130.08578	3.6
132.10153	37.6
132.11082	1.6
134.99612	6.6
137.06180	0.8
149.05946	1.8
150.49753	0.8
155.08342	0.9
167.96556	0.8
168.36322	0.8
175.11134	3.6
177.00632	1.4
190.95290	0.9
199.11111	4.4
212.40869	1.0
236.25154	0.9
256.26297	1.1
277.00876	1.9
300.28894	100.0
301.14526	1.5
301.17831	19.7
301.21051	1.5
301.29163	1.2
317.20877	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1431
Annotation	Magnolignan A
Peak:m/z	Relative Intensity
55.01790	0.5
55.05426	0.9
56.07309	0.4
56.96476	1.7
57.07006	0.3
59.04913	0.5
67.05405	0.6
69.03330	0.8
69.06973	1.4
71.04890	0.7
77.20508	0.4
79.05387	0.7
81.06938	1.4
82.53701	0.4
84.95925	0.4
91.05376	2.5
93.06963	2.7
93.74976	0.4
95.04884	0.7
95.08533	3.0
98.97486	2.1
105.06980	5.9
107.07944	0.4
107.08540	5.2
109.10063	1.4
113.77331	0.4
116.98530	2.1
119.07848	0.4
119.08535	4.9
121.06448	5.7
121.10052	0.8
123.07999	0.5
128.06154	1.6
129.06947	1.3
131.08499	2.3
133.06453	0.5
133.10150	2.7
134.99568	0.9
135.04326	0.6
135.07988	0.8
141.06940	1.5
142.07756	0.4
143.08521	6.0
143.83876	0.4
144.05623	0.6
145.06413	0.9
145.10075	1.8
146.07213	1.8
147.07993	0.9
147.11665	0.7
151.07474	0.7
155.08461	1.7
157.10074	1.7
158.99583	0.5
159.07976	3.3
159.11633	0.9
161.09569	4.0
165.06905	0.6
168.05602	0.4
169.10071	1.6
171.08023	6.4
171.11592	0.7
172.08858	1.6
173.01132	0.5
173.09618	0.5
173.13197	0.7
174.06720	5.7
175.07507	0.4
177.00633	2.1
179.08501	0.9
182.07315	0.6
183.07994	4.2
185.09569	3.3
185.13223	0.6
187.07477	10.9
187.11089	0.4
189.00700	0.5
189.05431	2.9
189.09064	12.0
190.95271	0.4
193.10165	0.6
194.10832	0.8
195.08006	1.4
195.11636	1.5
197.09587	5.3
198.10327	0.8
199.07480	1.3
199.11148	0.9
199.14812	0.6
201.09077	2.3
208.08760	1.4
209.09534	0.6
209.13205	0.8
211.07472	7.5
211.11072	0.5
212.11932	0.7
213.09184	2.9
213.12698	4.7
215.06970	2.1
217.08554	100.0
218.08919	0.8
219.01761	0.7
222.10336	3.6
223.11122	8.5
225.09056	9.9
226.09825	9.5
227.07010	0.5
227.10580	0.9
227.14240	1.5
228.07901	0.6
229.08510	0.8
234.62872	0.4
237.12708	6.0
239.10538	0.7
240.11397	5.0
241.12181	19.6
242.12492	0.5
243.10115	18.1
250.09830	2.3
253.08495	0.5
255.09953	0.6
255.13771	6.3
255.20975	0.8
258.12384	0.6
265.12125	4.1
265.19482	0.4
268.10846	4.9
283.13211	19.5
283.20261	2.6
286.11960	1.8
301.14288	25.7
301.21436	4.3
309.16306	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22985	0.2
56.96493	1.7
70.70655	0.2
77.24834	0.2
80.62237	0.2
81.06949	0.3
84.95950	0.9
91.05366	0.2
98.97518	1.9
99.07971	0.3
105.06977	0.2
110.81618	0.2
116.98561	3.0
122.30632	0.2
128.98538	0.3
129.06973	1.0
131.00116	0.3
134.99617	2.8
142.07756	1.8
143.00099	0.3
143.08510	0.2
145.06499	0.3
149.01181	0.3
153.00705	0.4
155.08482	0.5
156.09305	0.4
157.06474	0.8
157.10103	0.9
158.07224	0.3
158.99576	1.3
159.08006	0.9
161.01173	0.4
172.08798	7.3
173.09480	0.3
177.00659	3.7
177.27477	0.2
185.05943	1.0
185.09604	1.0
187.11115	2.9
189.00749	0.4
190.95393	0.2
191.02232	0.5
195.01694	0.3
199.11072	0.5
200.08292	5.5
201.00668	0.3
201.08932	0.3
207.01675	0.3
215.10629	100.0
216.10988	2.1
219.01765	0.9
223.11118	0.4
225.08980	1.0
226.09821	0.4
227.10774	0.2
229.12273	0.3
237.02716	0.9
239.10648	1.3
240.11374	0.9
241.12181	0.9
243.13794	0.3
249.67944	0.2
253.12245	0.9
254.12955	1.0
261.02945	0.4
268.14502	0.8
279.03809	0.4
283.16830	3.5
301.17838	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	301.1797
Annotation	Miltipolone
Peak:m/z	Relative Intensity
50.83231	0.5
55.01805	0.7
55.05442	2.2
56.96503	0.8
57.06998	2.1
59.04926	0.7
67.05413	1.2
69.06967	4.4
70.06507	1.3
74.50522	0.5
76.57136	0.6
79.05371	0.7
81.06964	2.2
83.04899	6.1
88.07532	0.9
91.05363	0.9
93.06981	1.0
95.08511	0.8
97.06448	4.7
98.97510	3.0
99.08009	1.1
100.07513	0.7
105.06976	4.2
107.08521	1.0
109.06440	0.8
109.10103	3.2
109.19389	0.6
113.33308	0.6
114.09093	3.6
116.98552	2.1
117.06945	1.0
119.08533	3.0
121.06423	3.6
127.32706	0.6
132.10094	4.2
133.06458	1.1
134.99629	2.2
135.08018	4.1
137.09555	2.1
143.08569	1.0
147.08025	2.4
149.01117	0.6
149.05951	23.2
149.07117	1.0
149.09607	3.0
151.11136	0.9
158.99547	2.0
159.07993	0.8
160.08780	3.2
161.09557	5.0
163.11293	0.6
172.08743	1.1
173.09586	1.2
175.07567	1.4
175.11139	17.3
176.07539	0.6
177.00696	2.1
184.08752	0.7
185.09572	2.2
186.10382	2.3
186.31482	0.6
187.11044	1.3
189.09061	10.9
199.11125	19.1
201.09044	3.5
201.12683	0.9
203.10649	2.5
213.12708	2.6
215.10670	5.9
219.01773	1.0
223.10976	0.8
225.12814	1.4
226.09810	0.7
227.14236	3.0
228.11406	0.7
241.15848	2.2
249.90749	0.6
250.13525	0.6
253.12221	0.8
255.17450	1.3
268.14316	0.8
300.28912	10.7
301.17923	100.0
301.29181	7.2
302.18213	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	301.2158
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
55.05442	4.8
56.55817	2.3
56.96497	2.4
67.05418	15.7
68.58542	2.0
69.03374	2.1
69.06984	22.1
71.04894	2.6
79.05408	15.0
81.06959	21.2
83.04897	3.6
83.08521	4.8
84.94965	1.8
85.02824	14.0
91.05404	29.1
93.06976	33.6
95.08521	33.4
98.97478	3.5
99.08012	3.7
105.06971	88.0
107.08534	56.3
109.06438	9.2
109.10095	19.1
111.07993	2.3
116.98565	2.4
117.06986	4.4
119.08535	100.0
120.83558	2.3
121.06447	5.0
121.10094	25.3
123.08012	5.0
128.06114	2.5
129.06949	8.3
131.08539	33.1
133.10094	18.0
135.07988	8.5
141.06985	3.0
142.07751	3.9
143.08565	24.7
145.10104	38.5
147.07997	21.0
147.11667	21.9
149.09648	4.3
155.08571	8.4
156.09290	3.0
157.10098	34.5
159.11630	25.9
161.09575	3.4
161.13205	11.0
169.10088	19.9
171.11649	15.6
173.13211	9.6
175.11137	4.9
175.51964	2.3
180.32295	2.1
181.10193	2.7
183.11673	8.7
185.13217	17.8
195.11620	3.7
197.13254	4.5
199.14780	14.1
201.16354	32.9
203.14227	2.7
208.12296	2.3
209.13139	2.8
213.12715	4.8
213.16331	9.0
223.14815	3.7
227.14267	13.3
227.17992	2.9
237.16264	4.2
241.15851	4.9
241.19382	8.8
255.17332	4.5
255.20944	13.9
265.19287	3.6
283.20471	32.3
301.21545	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	301.216
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
51.02300	1.5
53.03879	1.4
54.32566	1.3
55.05449	15.1
56.50845	1.5
56.96503	2.1
57.03349	2.0
57.07005	1.7
64.33903	2.0
67.05430	16.7
69.03356	2.0
69.06992	24.4
70.90613	1.6
71.04910	3.0
79.05403	16.9
81.06974	31.4
83.04897	8.1
83.08538	3.7
85.02838	10.0
91.05416	29.1
93.06974	37.8
95.04901	3.2
95.08535	42.7
97.06479	3.0
98.97525	6.9
99.04407	2.8
99.07974	1.9
105.06971	86.2
107.07860	3.2
107.08536	59.2
107.09203	3.4
108.08780	2.1
109.06471	4.1
109.10102	27.1
111.07999	2.0
114.38023	2.4
116.98588	7.1
117.06994	13.3
119.08529	100.0
121.06451	3.7
121.10102	24.3
123.08018	7.1
123.11638	7.9
125.09601	2.2
129.06940	10.2
130.07713	2.0
131.08531	35.0
133.10118	23.5
134.99614	7.9
135.08003	12.4
135.11601	3.8
141.06921	2.9
142.07736	7.5
143.08537	29.6
144.09355	3.4
145.10112	39.2
146.21655	1.8
147.08076	2.6
147.11653	27.6
149.05969	2.5
149.09636	2.0
154.07736	3.1
155.08522	13.1
156.09230	3.2
157.10104	29.3
158.99661	1.9
159.11674	33.2
161.01297	2.7
161.09586	3.1
161.13222	10.1
168.09340	2.2
169.10037	15.3
171.08014	3.4
171.11674	22.2
173.13217	14.4
175.11095	3.3
175.14821	2.4
177.00682	10.3
181.10101	8.3
183.11670	12.1
185.09650	2.6
185.13222	16.3
187.14772	8.3
189.12738	8.7
193.10074	2.6
195.11673	6.5
197.13248	11.9
199.11244	2.2
199.14812	16.7
201.00609	2.5
201.16356	31.1
209.13126	3.3
211.14783	7.6
213.12560	2.2
213.16202	5.5
217.19441	2.0
223.14882	3.8
225.16357	3.0
227.14272	9.2
227.17920	3.8
236.57986	2.1
237.16359	6.6
239.17827	2.2
241.15775	8.0
241.19463	8.0
255.17424	10.6
255.20949	16.1
259.20398	1.8
265.19418	7.7
273.18201	2.2
283.20486	44.1
297.67340	1.7
301.10632	2.3
301.21552	54.8
302.22012	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	301.2159
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.03880	1.5
53.43737	1.3
55.05450	12.3
56.96476	2.3
57.07009	5.9
59.04940	1.8
63.39994	1.4
65.03832	1.6
67.05427	15.6
69.03319	1.4
69.06988	24.7
69.46516	1.5
71.04895	2.3
74.68005	1.5
79.05405	14.2
80.05276	1.3
81.06974	31.0
83.04888	8.8
83.08546	2.9
85.02832	14.0
91.05403	24.7
93.06963	32.7
95.04897	2.2
95.08530	45.7
97.06451	2.5
98.97487	6.7
105.06969	95.4
107.08535	50.6
109.06468	9.1
109.10088	26.8
111.08011	3.2
115.05401	2.4
116.98551	6.5
117.06967	14.2
119.01871	1.6
119.08530	100.0
121.06393	2.1
121.10093	23.2
123.08015	8.9
123.11636	3.8
128.06230	3.1
129.06963	11.8
131.08536	38.7
133.06625	1.6
133.10069	15.4
134.99637	3.1
135.08022	9.1
135.11632	2.9
137.09598	2.2
137.13200	1.9
141.06941	3.4
142.07736	6.2
143.08539	34.8
144.09267	2.0
145.06444	1.9
145.10089	39.5
147.08067	2.1
147.11653	17.8
148.44150	1.5
149.09592	3.0
149.13196	2.2
151.11145	1.7
155.08514	11.5
156.09344	2.1
157.10100	30.0
158.99602	1.8
159.11635	32.0
161.03076	1.6
161.09575	2.1
161.13206	9.5
167.08582	2.1
168.09285	2.3
169.10074	16.5
170.10767	1.8
171.11658	22.8
173.09502	1.8
173.13264	11.0
175.11156	2.8
175.14784	2.0
177.00656	7.8
180.09283	1.8
181.10091	7.3
181.37271	2.1
183.11630	9.0
185.13187	12.9
187.11177	1.8
187.14784	6.7
189.12674	3.0
193.10104	2.0
195.11668	8.8
197.13223	9.7
199.14722	17.7
201.16351	33.6
209.13275	6.4
211.14705	6.7
213.12869	1.6
213.16296	7.0
219.01526	2.3
223.14804	6.6
225.16368	3.9
227.14256	7.2
227.17915	3.8
237.02621	2.0
237.16350	8.0
239.17847	2.0
241.15755	6.2
241.19533	7.2
255.17413	9.6
255.21053	18.1
259.20511	2.0
265.19431	9.8
273.18457	2.6
283.20474	37.0
301.21567	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	301.2162
Annotation	Cespitularin G
Peak:m/z	Relative Intensity
55.05452	7.4
56.96508	44.4
56.96727	4.4
57.06994	7.9
59.87338	4.9
66.44394	4.8
67.05428	11.4
68.93751	5.1
69.06991	23.7
71.04900	7.7
74.09619	9.2
79.05418	7.6
79.77242	5.1
81.06963	32.8
83.08483	8.3
84.95952	24.5
91.05408	13.2
93.06966	33.0
95.08518	24.8
98.97530	53.1
104.24232	7.1
105.06979	30.2
107.08548	39.7
109.10088	24.1
111.08006	9.5
116.98586	87.6
117.07006	6.8
119.08530	29.4
121.10103	8.4
123.11671	10.0
125.09639	5.7
128.98532	6.9
129.06949	9.4
131.00081	9.5
131.08514	32.6
132.27873	5.9
133.10075	12.2
134.99634	84.1
142.07837	6.1
143.00130	9.3
143.08525	10.7
145.10103	30.3
146.99641	11.7
147.11618	6.0
149.01190	7.0
151.14838	7.5
153.00650	13.8
155.08612	8.9
157.10109	11.4
158.99670	35.9
159.11734	22.1
161.01173	26.6
161.13245	12.4
162.99055	7.8
169.10208	11.0
170.99634	6.5
171.11673	11.7
173.01251	23.6
175.65445	5.3
177.00656	100.0
185.13156	5.7
189.00670	13.6
191.02229	23.7
195.01758	28.4
197.13457	6.1
199.14676	7.3
201.00752	10.1
203.14275	6.3
219.01727	36.1
237.02721	23.8
261.02826	24.5
265.19464	6.3
279.03729	22.4
283.20496	66.8
296.97629	8.6
301.14224	6.8
301.21542	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.216
Annotation	4-Oxoretinol
Peak:m/z	Relative Intensity
55.01799	0.6
55.05436	0.9
57.07008	0.5
69.03336	0.6
73.75215	0.4
79.05415	0.7
81.06969	4.8
86.90099	0.5
89.56237	0.7
91.05400	12.1
92.10323	0.7
95.08528	0.8
105.06969	2.4
107.04893	3.5
109.10105	1.1
115.61077	0.5
117.06952	3.4
119.08528	20.4
119.09344	1.0
121.06462	0.9
121.10068	0.6
123.11639	4.0
128.06175	0.6
129.06955	2.9
131.04930	0.7
131.08511	1.1
132.05685	11.3
145.06502	2.0
146.07213	0.9
147.08020	100.0
148.08421	1.1
149.09586	5.5
158.07301	3.9
159.07980	5.6
159.11621	1.0
161.09540	4.5
167.14247	0.6
171.08113	0.9
172.08775	3.5
173.09599	1.0
175.11165	2.0
184.08763	0.7
187.11136	20.3
199.11174	1.1
213.12694	1.1
227.14215	0.7
233.69740	0.5
253.35611	0.5
283.20505	2.2
301.21805	0.6
324.55777	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2159
Annotation	4-Oxoretinol
Peak:m/z	Relative Intensity
53.59595	0.4
54.81318	0.4
55.01800	0.7
55.05436	2.0
56.96479	0.6
57.06990	0.9
67.05422	5.6
69.03342	0.7
69.06987	4.2
73.95082	0.4
79.05392	2.5
81.06969	15.0
83.08525	0.6
84.95917	0.6
91.05402	11.2
91.60548	0.5
93.06956	2.2
95.08540	7.0
98.97475	2.6
105.06990	3.7
107.04893	2.7
107.08558	1.0
109.10100	12.6
116.98598	3.6
117.06944	4.0
119.08528	22.0
121.06458	4.5
121.10092	1.9
123.10841	0.9
123.11652	13.3
128.06126	1.2
129.06937	3.0
131.08533	2.3
132.05675	8.7
133.10007	0.5
134.99617	2.1
135.07988	0.6
141.06895	0.7
143.08551	0.7
144.48367	0.5
145.06458	6.1
145.10088	2.4
146.07236	1.1
146.99664	0.6
147.08014	100.0
148.08325	1.2
149.09583	7.3
155.08569	1.0
157.10074	0.7
158.07225	9.3
158.99588	0.9
159.08011	8.7
161.01181	0.9
161.09579	9.3
165.12717	0.6
171.08032	6.6
172.08788	1.0
173.09570	32.3
174.09915	0.7
175.11166	4.2
177.00671	4.6
184.08850	0.8
185.09608	3.3
187.11130	5.7
189.12668	0.8
195.01675	0.8
198.10364	1.1
199.11118	2.7
213.12708	4.6
219.01698	1.0
226.23325	0.6
227.14291	2.4
237.02826	0.6
241.15953	0.7
279.03928	0.7
283.20587	4.3
301.21494	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	302.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	1.1
55.01804	1.8
55.05450	1.7
56.04959	2.5
56.96498	11.1
57.03363	4.7
60.04467	2.1
61.02852	5.4
62.90345	0.9
64.89854	1.0
65.03860	2.9
67.05073	2.4
67.05424	60.6
69.03345	28.9
69.06995	12.1
70.02867	1.2
70.06174	1.6
70.06513	20.9
71.04903	1.9
72.08062	16.8
73.02821	1.5
74.05993	2.5
74.97506	1.6
76.34956	1.0
77.65117	1.1
79.05402	1.5
81.03329	10.1
84.04425	9.7
84.08061	17.0
84.95953	2.2
85.02821	41.0
86.02363	2.1
86.09615	22.4
86.10097	1.3
88.03925	4.7
91.05415	1.8
94.06473	1.5
95.04892	85.7
96.08084	1.7
97.02818	43.0
98.97512	8.7
99.04374	1.9
102.05473	1.5
109.02842	7.5
110.07117	2.7
112.07544	57.6
112.08688	1.6
112.20655	1.3
113.05920	9.6
116.07014	4.7
116.98566	10.0
120.08064	1.9
122.05981	2.1
123.04333	1.6
124.02345	1.4
124.07555	1.7
127.03909	2.6
129.10197	8.7
134.99602	9.5
136.07538	2.5
137.05966	2.1
140.07036	100.0
143.00172	1.9
146.99582	1.9
149.01256	1.8
150.09100	2.0
153.00719	1.2
154.08582	5.6
158.20917	1.2
158.99651	5.7
161.01161	4.6
173.01164	2.7
177.00676	14.4
178.08669	2.9
182.08083	42.4
189.00706	6.4
191.02264	2.8
195.01697	1.4
201.00594	2.2
206.08057	11.5
218.08205	1.3
219.01671	5.7
237.02721	2.8
248.09111	2.7
253.16443	1.3
261.02841	1.8
275.07541	1.2
279.03763	2.2
302.12473	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	302.1497
Annotation	H-Pro-Trp-OH
Peak:m/z	Relative Intensity
55.01802	2.0
56.96490	0.7
67.05405	0.8
68.01907	0.5
68.04938	0.5
69.03340	0.5
70.00237	0.4
70.06509	39.7
72.08047	1.1
77.42972	0.4
77.87462	0.4
80.97295	0.4
84.04413	0.6
84.08061	1.1
86.09612	3.2
98.97504	3.3
111.12827	0.5
114.05480	22.3
115.05390	4.1
116.07043	18.3
116.07865	0.7
116.98600	2.2
117.05698	3.7
118.06487	0.9
122.34133	0.5
123.59195	0.5
125.07063	4.7
130.05501	0.5
130.06490	22.0
132.08057	62.3
133.08372	0.8
137.05927	0.7
139.42818	0.5
142.06490	7.8
143.07249	0.6
144.08061	14.1
146.99646	0.6
158.99573	0.7
159.09145	100.0
160.07542	7.8
160.09485	2.0
170.05963	22.5
171.07639	3.0
171.19228	0.6
172.07567	2.6
177.00620	1.2
195.01727	0.7
200.04427	0.7
257.12802	0.8
274.70807	0.5
285.12292	27.5
302.15063	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	302.2072
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
55.05447	0.6
56.04967	0.5
56.96506	2.1
57.03350	0.3
58.09622	0.2
59.08069	0.3
60.04448	1.2
60.69714	0.3
64.51025	0.3
64.72881	0.3
67.05420	0.7
69.03352	0.5
69.06979	8.1
70.06502	4.7
72.08069	4.8
74.05965	0.3
82.19719	0.3
83.05994	0.3
84.04417	2.4
84.08066	6.4
85.02824	1.2
85.08343	0.3
86.09621	100.0
87.09975	0.5
88.03904	0.3
91.05380	0.4
95.01017	0.4
95.04898	0.6
96.01788	0.4
97.02801	0.6
98.05968	0.3
98.97498	2.0
102.05494	0.3
107.14047	0.3
110.07110	1.9
114.09087	0.3
116.07026	0.6
116.98563	2.0
120.08026	0.4
123.04340	0.5
125.02066	0.4
127.03618	0.3
128.98563	0.4
129.10211	2.4
134.99596	1.3
136.07539	0.4
137.05962	1.6
140.07016	0.4
141.10143	0.3
143.07059	0.3
146.99629	0.4
158.99605	0.7
161.01189	1.2
161.05922	0.4
165.93069	0.3
169.04726	0.4
172.10295	0.3
173.01193	0.7
177.00703	1.9
185.16397	0.3
189.00572	0.7
189.12276	4.0
191.02129	0.5
199.17986	8.9
199.19637	0.4
219.01733	1.1
227.17488	6.0
237.02820	0.6
248.86150	0.4
254.70926	0.3
261.02786	0.4
279.03918	0.4
302.12061	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	302.2071
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
52.37078	0.2
53.32214	0.2
56.96487	1.4
57.03375	0.2
59.27384	0.2
69.03337	0.3
69.06988	0.6
70.06501	0.6
71.50195	0.2
72.08062	0.3
75.05470	0.3
75.71847	0.2
79.05393	0.3
81.03316	0.3
84.04426	0.3
84.08069	0.6
85.02816	0.5
86.09621	100.0
87.09260	0.3
95.08523	0.4
95.22991	0.3
97.02846	0.5
98.97503	3.1
109.10083	0.4
116.98545	2.0
119.08578	0.3
120.08082	0.3
128.98570	0.4
132.10156	4.6
134.99602	1.3
137.05960	3.4
142.87581	0.3
143.11765	37.8
146.99564	0.4
149.01105	0.3
158.99657	1.4
171.11223	7.6
177.00664	1.7
189.00801	0.3
193.15779	0.3
215.09389	0.5
219.01634	0.3
224.09807	0.4
224.60121	0.3
229.04979	0.3
231.05441	0.6
237.02934	0.4
245.18591	0.4
302.20685	0.4
303.04968	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2072
Annotation	Ile Gly Leu
Peak:m/z	Relative Intensity
50.00185	0.2
52.54934	0.2
55.51091	0.2
55.84082	0.2
56.04969	0.4
56.96488	1.5
57.05743	0.2
57.75880	0.2
58.00811	0.2
58.06526	0.4
67.05441	0.2
69.03352	0.4
69.06985	13.9
69.12560	0.2
69.78419	0.2
70.06504	1.6
70.39301	0.2
72.08060	1.2
74.05993	0.2
75.05510	1.4
79.51095	0.2
81.03339	0.3
81.06956	0.3
84.04442	0.3
84.08056	1.2
85.02824	0.5
86.09625	100.0
87.09965	0.5
91.05408	0.5
92.10841	0.3
95.04840	0.3
95.47748	0.2
98.97522	3.1
105.06976	0.2
105.23534	0.2
107.08525	0.5
110.07138	0.4
114.04333	0.2
116.98553	2.8
120.08055	0.5
129.10191	0.9
132.10164	7.7
133.02803	0.5
134.99619	1.3
135.07996	1.8
136.08372	0.2
137.05925	2.2
143.00021	0.3
143.11771	8.7
146.99628	0.4
158.99655	1.1
161.01175	0.5
161.02933	0.3
171.11250	5.1
173.01205	0.3
177.00645	2.2
189.00623	0.3
189.12311	4.6
191.02306	0.2
219.01718	1.0
237.02766	0.3
238.79684	0.2
240.87589	0.2
261.03000	0.2
279.03882	0.3
302.20798	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2071
Annotation	Gly Ile Ile
Peak:m/z	Relative Intensity
55.39500	0.3
56.66105	0.3
60.36681	0.3
61.11419	0.3
67.05437	0.3
69.06987	7.5
70.06509	0.7
72.08060	0.4
75.05515	17.0
78.64984	0.3
79.07547	0.3
84.08068	0.5
86.09625	100.0
87.09952	0.6
98.97486	0.6
109.61356	0.3
116.98578	1.2
119.01845	1.2
120.08031	0.4
122.03578	0.5
130.39276	0.3
132.10187	4.9
137.05952	2.4
143.11774	50.5
143.49902	0.3
144.12180	0.3
146.06061	0.4
158.05966	0.5
158.99525	0.3
161.03003	0.5
171.11247	10.1
180.29201	0.3
270.74463	0.4
300.24658	0.3
307.34671	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2071
Annotation	Val Ala Ile
Peak:m/z	Relative Intensity
50.51130	0.2
55.05450	4.3
55.29455	0.2
56.04967	0.9
56.96494	0.5
57.05747	0.3
60.04459	0.4
62.57578	0.2
64.36007	0.2
65.31427	0.2
69.03332	0.3
69.06983	0.5
70.06496	2.8
72.08065	100.0
73.08381	0.4
74.06001	0.3
74.69524	0.2
80.29859	0.2
84.04419	0.4
84.08070	2.9
85.02823	0.5
86.09622	19.9
88.03924	0.5
96.61919	0.2
97.02792	0.4
98.97488	0.5
100.07545	1.1
109.47290	0.2
110.07123	1.2
116.98547	0.9
120.08001	0.4
123.08028	0.3
125.05975	0.3
129.10199	2.2
132.10110	2.5
134.99655	0.4
143.11766	36.4
146.99486	0.2
157.13339	2.0
158.99692	0.3
170.05632	0.2
171.11240	12.9
171.12648	0.5
177.00681	0.4
182.08173	0.5
185.12801	0.5
219.01952	0.3
231.17097	1.2
279.03833	0.4
294.12418	0.2
302.21039	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.305
Annotation	Sphinganine
Peak:m/z	Relative Intensity
52.93504	0.5
53.75092	0.7
57.06785	0.7
57.07012	16.7
58.06525	0.8
70.06138	1.0
70.06506	23.0
71.08541	5.1
85.10066	1.4
88.07549	25.9
101.52912	0.7
102.09100	6.9
106.08614	13.7
151.52164	0.6
171.87444	0.7
184.20157	0.6
274.63373	0.9
284.29407	9.3
302.30475	100.0
303.30579	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.305
Annotation	Sphinganine
Peak:m/z	Relative Intensity
51.91257	0.5
53.51055	0.4
53.57187	0.5
54.91754	0.5
57.06739	0.6
57.07012	14.1
58.02789	0.5
58.06527	1.1
69.38506	0.7
70.06139	1.1
70.06508	24.7
71.08550	5.8
85.10120	1.0
88.07551	25.1
94.12139	0.6
102.09108	6.0
106.08601	12.8
112.30428	0.6
204.70226	0.7
240.26930	0.8
244.16748	0.7
284.29413	9.6
302.30484	100.0
303.30927	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.998
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96500	8.4
70.06501	1.1
71.95215	0.6
74.62449	0.6
77.69563	0.6
84.04411	0.8
84.08080	3.6
92.10710	1.1
98.97514	5.5
116.98560	5.4
119.01864	3.6
120.01999	0.7
128.98602	1.0
134.99657	4.0
137.02910	1.4
146.99576	0.9
153.00784	1.0
155.00211	1.3
158.97177	0.9
158.99734	0.6
161.01212	0.8
173.01222	3.2
176.98447	0.8
177.00928	15.8
178.01003	1.2
182.97113	0.7
189.00800	1.5
191.05693	0.8
194.95726	0.7
195.01959	0.7
197.96974	1.1
200.98224	1.5
202.93327	0.8
203.97205	0.7
214.96486	1.3
217.03859	0.6
218.97490	0.8
219.01875	7.7
219.03632	0.6
232.96527	1.0
238.95377	5.2
242.99449	1.0
243.01762	0.9
250.50389	0.7
256.96548	100.0
257.96713	4.5
261.02991	19.2
261.97168	1.1
262.02966	1.1
273.95505	0.8
274.97607	63.3
275.97729	4.0
279.00409	0.8
279.98135	28.2
280.98132	0.8
292.95212	1.2
297.99277	4.9
302.99930	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96484	1.9
65.84351	0.3
75.92323	0.3
84.08024	0.6
98.97501	4.1
101.00801	0.5
116.98565	4.4
119.01870	9.3
120.01942	0.3
134.99652	3.2
137.02933	5.0
137.04689	0.3
150.77785	0.3
153.00729	1.2
155.00137	0.4
158.99753	0.6
161.01245	0.3
173.01172	2.1
177.00891	21.1
178.01001	1.2
189.00711	1.2
194.07935	0.3
195.01881	0.3
201.00734	1.8
217.04004	4.3
219.01945	36.0
220.02086	2.3
221.01968	0.3
225.00877	1.4
237.02875	0.7
243.01849	4.9
261.02979	100.0
262.03088	6.9
274.97427	0.4
279.00650	2.5
280.00894	1.3
284.04593	1.8
303.00754	0.7
303.04364	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81656	0.9
56.96500	83.4
62.57857	1.2
72.08064	5.6
74.92342	1.0
74.97540	1.2
86.09629	4.3
96.90135	1.0
97.99149	1.3
98.97506	16.8
111.84251	1.3
116.98579	18.7
132.08052	7.2
133.19792	0.9
134.99582	11.4
144.96841	1.1
153.00723	2.2
160.74675	1.0
174.02202	22.0
174.03603	1.3
181.93559	1.3
188.03810	5.4
191.94783	1.0
192.03282	100.0
204.03262	2.2
206.04849	28.6
210.04326	28.6
215.04880	31.3
217.06400	16.9
220.02792	2.4
222.04361	7.3
224.05899	14.2
226.03946	1.2
229.02756	1.3
231.04359	1.1
233.05934	32.2
234.04317	1.9
235.07507	25.0
236.02298	1.7
238.03778	2.3
240.05418	1.4
243.04390	4.1
247.03864	6.0
261.05392	64.4
265.04874	1.3
276.05460	2.2
279.06445	73.4
280.07297	1.2
284.06863	1.3
303.06451	5.7
303.10184	1.0
318.36563	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0861
Annotation	3,3'-Dihydroxy-4,5,4',5'-bismethylenedioxybibenzyl
Peak:m/z	Relative Intensity
51.08903	1.1
54.07458	0.9
54.40054	0.9
55.01799	5.0
55.05206	1.0
55.05441	8.5
56.04939	0.9
56.96495	11.9
60.04453	1.8
61.02836	1.0
62.82083	0.9
63.47467	0.9
65.03870	1.1
67.05412	5.0
68.99706	1.9
69.03333	4.7
69.06968	7.2
69.07307	1.0
70.06497	10.8
71.04890	1.3
71.06851	1.1
72.08065	70.8
73.08390	4.1
75.02613	1.7
75.18545	1.0
75.44917	0.9
79.05402	1.1
81.03333	2.4
83.06013	4.2
84.04430	4.6
84.08063	7.2
85.02823	4.4
86.09621	100.0
87.09943	8.4
91.05383	4.9
92.10947	1.7
93.04433	1.3
95.04887	5.9
97.02805	2.1
98.97507	4.3
105.03343	4.8
107.04886	1.7
109.02805	1.3
110.07111	27.9
114.09126	1.5
116.07026	10.0
116.98557	6.8
117.07308	1.0
119.04887	14.1
123.04382	68.4
127.03848	4.9
129.10210	1.5
133.06429	1.6
134.99602	4.6
135.04378	6.3
137.02313	1.3
137.05933	15.8
138.06277	2.5
139.03900	11.6
143.04916	1.3
147.04381	27.5
151.03868	97.7
151.07471	1.6
152.07961	1.4
153.05450	2.0
155.00107	1.0
159.11229	4.9
161.01178	4.7
161.05916	7.0
163.03899	3.7
165.05418	10.7
170.99620	1.2
173.01161	9.1
173.05942	2.5
179.07013	1.4
181.04893	1.9
181.08617	1.5
185.16455	16.1
186.16824	1.9
189.00642	5.8
191.02185	4.5
193.05000	3.6
201.00687	6.9
202.04898	1.1
207.01729	1.8
207.06531	4.0
213.15912	8.7
214.16290	2.2
219.01692	9.5
237.02718	4.8
261.02765	4.0
285.07632	1.6
303.08353	21.8
303.13959	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50360	1.5
55.01828	2.2
55.05450	10.4
55.20824	1.6
56.96233	3.8
56.96503	70.6
69.03345	3.0
70.06519	11.6
72.08071	62.8
73.02834	1.9
73.08405	3.4
73.34922	2.5
74.97540	2.4
79.05424	1.9
84.04443	4.4
84.08060	11.6
84.95944	2.0
85.02829	9.8
86.09628	53.1
87.09965	4.8
89.96947	1.9
91.25226	2.4
92.10285	2.5
92.10796	5.8
95.04886	4.2
95.25026	1.9
97.02824	3.5
98.97517	12.7
105.06985	2.5
107.04824	2.1
109.61095	1.9
110.07105	3.5
116.07046	4.2
116.98573	23.3
119.04903	2.1
121.02830	2.8
123.04380	18.0
129.10197	3.3
130.06569	2.1
132.08026	5.1
134.99641	21.6
136.07603	3.8
137.05957	3.1
139.03870	4.0
144.58745	2.0
146.99594	3.8
147.04391	9.3
151.03854	17.2
153.00670	8.4
155.00119	2.4
158.99678	2.4
160.32307	2.3
161.01186	7.8
173.01202	19.2
174.02214	10.0
185.16472	9.5
189.00674	8.9
191.02194	2.6
191.03801	2.4
192.03297	57.5
201.00714	10.4
206.04895	23.2
207.01776	3.7
210.04355	24.2
213.15950	3.1
215.04852	16.7
217.06497	10.5
219.01678	22.5
222.04584	2.3
224.05919	3.9
233.05940	28.9
235.07570	16.8
237.02736	9.1
240.05544	2.5
261.02829	6.6
261.05368	45.7
279.06467	57.7
297.63321	2.3
301.16595	2.0
301.25989	2.1
302.03214	3.6
303.06790	4.4
303.10504	100.0
303.13721	5.5
310.45062	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1224
Annotation	Isonotholaenic acid
Peak:m/z	Relative Intensity
50.65804	0.9
50.66147	0.8
55.01819	1.3
55.05465	1.1
56.96484	5.3
57.35885	1.1
57.75051	1.0
67.05422	1.0
69.03347	1.4
71.04889	1.3
79.05373	1.2
79.31288	1.0
81.06964	2.0
91.05396	2.6
93.06960	2.5
94.04121	1.3
95.04869	1.2
95.08531	2.4
98.97493	6.2
104.99223	2.2
105.06968	7.0
107.04942	1.2
107.08540	1.9
109.10094	1.5
111.47589	1.0
116.98573	6.0
118.99174	1.0
119.08536	2.2
121.06442	5.5
122.03572	1.8
131.08510	8.0
133.10110	1.8
134.99608	5.8
137.04893	1.5
137.05937	44.9
141.06995	2.0
144.05597	4.1
145.10153	1.4
146.07225	2.1
158.99629	2.0
159.06822	1.5
159.07997	28.9
161.09595	13.3
173.01190	1.8
177.00653	4.6
177.05414	10.6
181.06415	1.5
187.07492	100.0
189.00645	1.9
215.07031	17.5
219.01720	1.9
239.10625	1.8
257.11606	2.1
285.11176	7.9
303.12131	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	303.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54736	0.1
55.01795	0.2
55.05446	0.2
55.36574	0.1
56.96500	1.8
57.03363	0.1
62.64211	0.1
65.03852	0.2
66.04639	0.6
67.05418	0.2
69.03342	0.2
70.06511	0.2
71.04931	0.1
76.56817	0.1
79.04977	0.1
79.05408	0.9
81.06967	0.7
83.08581	0.1
83.55976	0.1
84.04484	0.1
89.56931	0.2
91.05431	1.2
93.06956	0.3
94.03514	0.2
94.04105	4.3
95.04904	0.2
95.08545	0.3
95.14620	0.1
97.60108	0.1
98.97521	1.4
103.05405	0.2
103.73716	0.1
105.06976	0.7
107.04882	0.6
107.08564	0.1
109.06462	0.2
109.10103	0.1
116.98604	1.3
119.04899	0.3
119.08534	0.6
121.06476	0.3
121.10075	0.2
122.03602	12.7
124.00442	0.1
133.06418	0.2
133.10104	0.2
134.99620	1.1
135.04497	0.1
137.05956	100.0
138.06326	1.0
145.10126	0.2
146.99657	0.2
147.04373	0.2
149.05930	0.5
151.07535	0.2
152.06201	0.6
153.06970	1.4
158.99593	0.2
161.05988	0.2
165.06999	0.6
177.00687	0.1
181.06477	1.6
197.01161	2.3
199.84624	0.1
207.97156	0.1
209.05951	0.2
210.26875	0.2
213.09119	0.8
215.02243	2.7
220.02971	0.1
220.77739	0.2
225.09009	0.2
239.02257	0.2
241.08586	0.3
257.03259	0.3
271.09277	0.2
273.11264	0.2
285.11111	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07071	0.1
55.01789	0.3
55.05441	0.7
56.04961	0.7
56.96490	0.6
57.03357	0.2
60.04448	0.6
66.04649	0.2
67.05421	0.3
69.03351	0.3
69.06978	0.9
70.06510	4.4
71.06844	0.2
72.08073	2.5
74.05997	0.2
78.87998	0.1
79.05408	1.2
81.03323	0.3
81.06971	0.6
83.06024	0.2
84.04438	1.3
84.08067	5.5
85.02802	0.6
85.08390	0.2
86.09628	6.5
87.09963	0.9
88.03906	0.3
88.87064	0.1
91.05402	1.6
92.10312	0.2
93.06952	0.2
94.04115	4.2
95.04907	0.3
97.02824	0.3
97.07577	0.2
98.97511	0.5
102.05439	0.3
103.03196	0.2
103.79343	0.2
105.03307	0.1
107.04892	0.8
109.06472	0.3
110.07108	1.9
112.08670	0.2
114.05547	0.1
115.08677	0.2
116.07043	0.3
116.98546	0.6
119.04878	0.7
120.08068	2.3
121.06467	0.7
122.03600	12.8
123.04385	0.3
123.07971	0.2
129.10193	2.0
130.04915	0.1
130.06430	0.1
134.99687	0.2
135.04337	0.2
136.07561	0.3
137.05954	100.0
138.06323	0.9
144.10240	0.2
146.99661	0.2
147.04430	0.3
149.05920	0.3
151.07510	0.3
152.06174	0.2
153.00787	0.2
153.06966	1.8
158.99519	0.2
161.05917	0.2
165.06961	0.2
169.06334	0.2
169.09799	0.2
170.07196	0.2
174.06929	0.2
177.00641	0.2
181.04976	0.2
181.06424	2.1
182.07104	0.1
185.07112	0.8
193.06537	0.2
199.17996	0.2
201.27930	0.1
209.05991	0.2
213.06688	0.5
213.09045	0.7
225.09018	0.3
227.17397	0.2
231.15775	0.1
241.08607	0.6
253.08453	0.2
273.11145	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1589
Annotation	Enterodiol
Peak:m/z	Relative Intensity
55.05445	4.9
56.96485	7.0
57.07009	5.6
59.65027	3.6
67.05380	4.3
69.06975	8.2
75.72949	4.6
76.74660	4.1
79.05415	6.8
81.06949	4.9
87.55309	4.4
91.05393	6.8
95.08489	5.7
98.97492	5.8
104.99216	25.6
105.06942	9.3
116.98550	9.7
119.08520	5.0
121.06400	7.9
122.03624	19.1
133.10060	5.5
134.99596	8.5
137.05931	100.0
145.10161	6.7
146.07204	6.0
153.06900	4.3
158.07285	9.3
159.07991	18.1
159.97136	4.1
161.09549	66.8
167.75002	5.1
171.08006	8.3
171.19475	4.7
173.09581	69.1
175.07527	7.6
177.00610	6.7
183.08121	6.8
185.09627	10.6
187.07539	9.0
187.11032	7.7
189.00641	9.3
189.09056	41.2
197.09615	7.0
199.11113	50.9
201.09027	52.8
201.50424	4.9
209.09506	18.8
210.10310	24.3
213.12650	45.3
215.10609	10.4
215.14275	7.7
217.08574	33.9
224.11958	5.7
225.12640	37.2
227.10616	11.0
239.14200	18.5
241.12166	10.2
243.13556	16.4
252.11488	5.3
257.15295	28.1
267.13809	22.2
285.14771	49.7
303.15790	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1587
Annotation	3,3'-Dihydroxyhexestrol
Peak:m/z	Relative Intensity
53.00232	0.6
55.01817	0.9
55.05437	4.9
55.51332	0.7
56.96484	2.1
57.07007	1.0
67.05415	1.7
69.03374	0.8
69.06974	2.0
71.04903	1.4
79.05396	1.9
81.06978	7.0
83.04878	1.7
83.08533	1.3
85.02819	3.5
85.06456	1.9
91.05389	3.5
93.06963	1.5
94.04075	1.1
95.04861	1.0
95.08538	1.5
98.97511	4.9
99.08027	1.4
100.11178	7.4
101.54767	0.8
104.99169	3.4
105.06941	3.9
107.08499	2.8
109.06483	3.0
109.10110	1.4
110.22523	0.8
110.33414	0.7
116.98564	3.7
117.06964	1.0
119.08572	1.4
121.06448	4.0
121.10075	3.1
122.03642	8.3
127.07430	1.2
131.08521	1.5
133.10051	1.5
134.99594	1.9
135.04391	30.2
135.07988	5.8
137.05952	56.1
145.10077	1.5
147.08047	3.4
149.09612	4.3
157.10161	1.2
159.07971	4.1
160.08781	1.9
161.01111	1.1
161.05968	1.0
161.09595	7.4
165.07036	0.8
168.13885	1.9
172.08817	1.1
173.09560	3.7
175.07506	3.9
175.11162	9.6
177.00766	1.8
182.15440	1.0
185.09554	12.2
185.16516	0.8
187.11346	0.9
188.08301	1.3
189.09012	0.9
201.09108	1.2
210.14784	0.7
213.09093	0.9
213.12715	1.0
225.12772	1.2
229.15948	1.1
239.14297	1.3
243.13824	1.0
256.91907	1.0
281.56656	0.9
285.25000	0.9
303.12057	7.3
303.15839	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1804
Annotation	Viridamine
Peak:m/z	Relative Intensity
54.82075	0.9
55.05433	0.9
56.70355	0.8
57.07019	1.1
58.60524	0.8
60.04441	1.5
81.06988	1.6
89.50955	1.0
104.99203	9.6
116.98537	1.0
153.00328	1.9
155.01891	25.2
156.99921	1.3
171.01363	100.0
189.02544	1.4
194.02893	1.4
198.98839	1.3
221.10130	2.0
237.09703	11.2
262.98251	1.4
303.17957	16.9
303.23123	1.5
303.30783	1.0
315.39008	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.195
Annotation	Caribenol A
Peak:m/z	Relative Intensity
55.05440	0.6
55.15718	0.5
56.96490	0.8
59.04920	0.5
67.05408	1.1
68.25330	0.4
69.06976	1.9
81.06965	2.3
83.08554	0.7
84.95952	0.6
85.06523	0.6
88.07548	0.7
91.05395	2.7
92.64553	0.5
93.06969	2.0
95.08533	3.0
98.97481	0.8
104.99234	4.2
105.06939	1.1
109.10065	0.6
111.08018	1.0
116.98570	0.8
119.08515	0.8
121.10106	4.2
131.08505	0.7
134.99623	0.6
135.08002	2.1
137.05948	0.9
139.07491	2.6
145.10013	0.6
147.07999	1.0
149.05948	46.6
149.09583	1.1
154.59172	0.5
159.08037	0.8
161.09564	1.0
172.08792	2.3
173.09525	3.5
175.07515	4.2
175.11142	2.8
177.00671	0.9
178.00984	0.6
184.08778	2.4
185.09515	0.6
186.10278	1.8
187.11119	4.6
189.00642	0.7
189.09097	2.0
190.09758	0.5
191.10596	1.8
195.01921	0.5
199.11130	40.5
200.11516	0.6
201.08961	2.0
201.12759	1.1
203.10631	0.8
210.10464	0.6
211.11099	0.5
213.12683	2.8
215.10504	1.8
219.01776	0.6
223.11113	0.5
224.11760	0.6
225.12642	0.9
227.14192	0.7
237.12799	0.7
252.14995	0.9
262.98041	0.7
267.17355	2.4
303.19467	100.0
304.19736	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	303.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17764	1.1
55.05443	2.4
56.96490	6.2
57.06997	1.5
67.05425	3.3
69.06973	3.4
71.04903	2.0
71.54219	1.5
79.05392	2.2
81.06969	1.7
83.08540	2.3
88.33192	1.4
91.05404	2.1
92.10822	2.3
93.06942	1.7
95.08509	3.1
97.18725	1.6
98.97547	2.4
104.99216	14.8
105.06970	24.9
105.89860	1.6
107.08524	2.7
116.98601	1.8
117.06998	1.6
119.08522	7.5
121.06439	6.9
131.08528	100.0
134.99654	3.3
137.05992	16.2
143.08505	2.0
145.10101	19.6
147.07999	3.7
155.08556	2.5
156.00754	1.6
157.10107	7.1
159.11662	3.5
173.01181	2.0
173.09572	2.3
173.13187	1.7
177.00604	2.1
178.54005	1.4
183.11798	1.7
201.16348	27.8
215.17928	1.6
243.17313	7.2
263.71967	2.1
303.19510	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	303.2312
Annotation	Flexusine B
Peak:m/z	Relative Intensity
53.08727	2.8
55.05441	5.0
56.96492	6.3
57.07002	6.0
59.35194	3.3
62.97924	3.3
67.05419	7.8
69.06969	4.5
81.06964	14.5
83.08533	3.9
91.05416	6.7
93.07000	5.8
95.04921	5.6
95.08521	31.8
97.06437	4.2
98.97507	17.6
104.99221	37.6
105.07004	6.8
107.08536	18.2
109.06483	8.1
109.10102	16.9
116.98581	14.6
117.06986	3.7
119.08538	17.5
121.06444	96.4
121.10098	4.3
122.03555	5.1
123.11642	3.6
131.08476	4.7
133.10097	7.2
134.99625	7.7
135.08054	5.5
137.05937	100.0
145.10095	5.7
147.08057	8.0
147.11696	7.6
151.14723	4.6
159.07985	6.4
161.02943	6.5
161.09576	8.0
161.13147	3.8
171.11627	4.1
173.01181	4.9
173.09641	5.1
173.13205	46.5
175.11192	4.6
175.14819	5.3
177.00749	4.6
189.00679	5.7
189.12724	3.8
189.16304	5.5
197.13084	4.2
219.01715	4.3
224.63454	4.0
262.98160	3.8
267.20926	5.6
285.22031	14.2
303.19833	5.8
303.23074	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2313
Annotation	Triptobenzene L
Peak:m/z	Relative Intensity
55.05453	48.8
56.96485	25.8
56.96725	3.0
57.07000	16.9
59.04919	14.9
67.05424	34.1
69.06995	34.1
71.04906	4.5
79.05402	27.6
81.06971	41.5
83.08519	30.2
90.64811	3.2
90.97371	3.4
91.05400	46.0
93.06955	60.5
95.04875	4.0
95.08537	51.0
97.06435	5.1
98.97521	34.5
104.99178	32.9
105.06969	60.8
107.08537	54.7
109.10103	66.6
109.96181	4.3
111.08070	4.3
116.98566	40.2
117.06960	36.9
119.08510	60.7
121.06461	6.8
121.10086	26.3
122.03555	7.1
127.11134	9.5
129.06943	23.6
131.08510	72.8
133.10078	37.1
134.99609	34.3
135.11636	27.4
137.05959	100.0
141.06911	4.2
143.08498	38.3
145.10085	50.5
147.11630	20.4
151.11153	4.5
153.00557	5.2
155.08499	17.0
157.10049	34.2
158.99576	9.0
159.11621	30.0
161.09445	3.9
161.13264	4.6
163.14844	3.7
169.10092	15.5
171.11617	30.9
173.13191	38.0
175.14671	4.5
176.84648	3.7
177.00658	34.9
178.00992	7.0
183.11638	15.4
185.13223	18.9
187.14848	7.7
189.00688	15.1
189.12701	4.5
191.14302	5.3
197.13194	18.2
199.14742	7.4
201.16356	7.9
211.14795	18.6
213.16336	7.2
215.14276	4.3
219.01707	5.8
225.16394	8.0
227.17923	8.8
229.15718	8.1
237.02509	4.3
239.17912	7.4
267.20959	40.0
285.22025	80.4
303.23074	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2317
Annotation	4-Hydroxyretinol
Peak:m/z	Relative Intensity
55.05445	18.9
56.96502	51.1
57.07006	10.2
59.04936	9.1
66.62463	7.3
67.05421	37.4
69.06976	53.7
79.05420	17.1
81.06970	61.1
83.08517	10.9
84.95998	7.5
86.68542	7.5
91.05400	44.4
93.06953	57.3
95.04874	14.8
95.08534	58.7
98.97488	18.7
104.99210	100.0
105.06951	85.4
107.08551	48.4
109.10093	44.5
116.98653	23.6
117.06942	32.9
119.08510	41.4
121.10051	10.3
123.11640	15.9
123.33366	7.8
129.06995	19.7
131.08543	99.3
131.78436	9.1
133.10107	35.3
134.99617	19.5
135.11697	16.2
137.05930	96.0
143.08539	35.1
145.10135	46.6
147.11620	16.1
149.01263	8.8
149.13216	9.9
151.40863	7.7
155.08543	8.6
157.10115	38.4
158.99664	10.5
159.11667	35.4
161.01219	9.8
161.02924	15.2
169.10136	9.0
170.99597	7.9
171.11664	33.5
173.13242	12.7
177.00731	37.3
185.13237	15.3
187.07718	8.9
187.14757	30.6
197.13226	12.6
199.14758	15.6
201.16345	10.3
203.14273	19.2
211.15010	13.0
215.14276	12.3
219.17407	45.9
227.17912	13.9
239.17975	9.0
241.19536	9.8
261.75214	8.5
262.98050	14.1
267.20963	35.8
285.22226	73.1
303.23227	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	303.2315
Annotation	Triptobenzene L
Peak:m/z	Relative Intensity
55.05458	31.3
57.07003	4.2
59.04929	4.2
66.66939	3.3
67.05435	26.0
69.03355	3.5
69.06976	21.0
76.78432	3.0
79.05398	22.8
81.06983	25.1
83.08537	16.1
83.44911	2.9
91.05404	34.3
93.06971	38.7
95.08535	53.9
104.99193	3.5
105.06980	38.8
107.08513	37.3
109.10105	54.5
115.05428	4.2
117.06961	30.5
119.08538	37.5
121.10114	23.7
123.11621	3.5
127.11126	4.4
128.06157	4.0
129.06937	22.0
131.08534	76.0
133.10088	23.6
135.11647	30.2
137.05911	4.4
137.09518	3.4
141.07002	4.1
142.07738	4.5
143.08539	57.2
145.10074	38.1
147.11641	5.3
155.08568	6.4
157.10100	31.7
159.11676	22.4
161.13187	5.2
169.10019	6.3
171.11665	16.4
173.13196	18.2
175.14790	3.6
183.11664	16.9
185.13217	12.8
187.14728	13.3
189.12740	6.0
191.14340	3.5
197.13211	13.8
199.14795	4.2
201.12671	4.8
211.14740	7.8
213.16389	6.5
215.14281	6.2
225.16408	5.5
227.17902	18.7
239.17900	7.2
257.22455	3.5
267.20990	34.4
285.22043	100.0
303.23145	60.7
318.33493	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	303.2316
Annotation	Agallochin G
Peak:m/z	Relative Intensity
52.63245	7.9
55.05450	8.6
56.96500	17.1
57.06998	39.7
60.69812	7.6
62.18393	7.4
67.05415	9.2
69.06991	13.6
76.55943	8.9
79.05410	17.6
81.06955	47.7
84.95963	11.3
88.07536	35.6
91.05404	19.7
93.06912	12.8
95.08530	19.4
98.97507	13.1
99.08060	11.8
101.38195	8.3
104.99208	100.0
105.06986	70.1
107.08530	47.8
109.10113	19.1
110.99511	9.0
116.98582	12.8
117.06979	11.8
119.08501	47.1
121.10117	35.7
122.57906	8.5
128.08913	8.9
131.08548	70.4
133.10110	12.5
134.99588	14.9
143.08536	10.6
145.10083	44.0
147.11690	16.0
153.20723	9.6
157.09988	32.8
159.11682	43.1
163.11229	9.4
171.11638	34.8
177.00717	14.1
178.00911	9.3
185.13228	21.1
207.01733	10.4
227.17857	67.4
245.18936	20.1
262.98184	12.4
285.22284	14.4
297.00027	9.6
303.23111	78.6
304.28287	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	303.2315
Annotation	Agallochin G
Peak:m/z	Relative Intensity
54.81576	2.0
55.05444	5.2
56.96497	3.6
57.06996	5.3
61.24548	1.8
67.05421	3.3
69.06965	13.2
71.57240	2.0
76.96384	1.8
79.05407	4.6
81.06967	15.4
81.55022	2.1
83.08523	4.3
84.95929	3.3
86.33804	2.0
91.05388	8.7
93.06958	14.5
95.08527	39.9
97.06437	4.4
98.97496	2.5
104.99198	33.0
105.06934	18.3
107.08517	12.9
109.06448	9.3
109.10085	15.7
119.08508	19.7
121.06447	100.0
121.10075	10.2
121.34512	2.0
123.11676	4.5
129.33630	2.2
131.08546	11.7
133.10069	14.3
134.99646	3.0
135.07986	8.6
135.11644	3.4
137.13240	2.7
145.10081	12.6
147.07982	17.0
147.11627	3.6
150.73943	2.2
157.10085	2.7
159.11636	8.7
161.09641	10.9
173.09564	9.9
173.13133	3.9
175.11096	3.8
177.00720	2.9
187.14813	21.3
189.12639	4.6
189.16318	10.3
215.14282	2.9
229.15918	9.9
262.98074	4.8
267.21036	5.1
285.22083	9.1
303.19681	2.2
303.23083	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2315
Annotation	Flexusine B
Peak:m/z	Relative Intensity
51.23717	1.7
51.62222	1.8
55.05448	9.1
56.15479	1.9
56.96493	3.3
57.07003	2.5
57.31710	2.0
57.39187	2.1
63.37058	2.2
64.70958	1.9
64.76395	2.1
67.05419	13.2
69.06989	26.0
70.39464	2.2
71.79070	2.0
79.05408	17.5
81.06969	33.6
81.81860	2.5
82.89015	2.1
83.08531	4.2
91.05397	25.4
93.06957	28.6
95.04867	3.1
95.08533	29.9
97.10093	2.9
98.97540	2.2
104.99210	24.2
105.06989	18.5
107.08538	14.4
109.06432	3.3
109.10112	25.0
116.98522	2.7
117.06971	10.2
119.08525	28.6
121.10046	4.4
123.11665	45.2
129.06999	4.8
131.08559	18.1
133.10028	18.2
134.99602	3.4
135.35097	2.3
137.05917	18.0
137.09567	4.0
137.13255	4.2
141.06963	3.0
143.08530	15.4
145.10107	18.6
147.08015	4.3
147.11638	4.5
151.11092	3.2
152.07010	5.4
155.08495	5.5
157.10052	5.7
159.11650	14.8
161.09581	2.6
161.13202	3.2
165.09070	11.7
169.10034	5.9
171.11679	5.5
173.01247	2.7
173.13232	5.5
175.14832	4.3
178.00998	2.7
183.11630	3.6
185.13225	9.4
189.12701	5.0
197.13213	10.8
203.14297	3.0
211.14775	4.5
215.14261	9.7
225.16458	4.3
227.17918	3.6
239.17880	3.1
242.05692	2.3
267.21011	13.4
273.94504	2.5
285.21997	23.5
303.23114	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2527
Annotation	Monomyristin
Peak:m/z	Relative Intensity
55.02980	3.3
55.05445	18.7
57.03362	5.1
57.06741	4.5
57.07010	100.0
57.92717	3.6
67.05420	27.4
69.06973	24.1
69.07305	4.4
71.08536	59.7
72.04414	19.9
77.08710	3.6
81.06961	28.2
83.08529	7.5
85.10095	27.6
88.53401	4.3
93.06955	4.8
95.08524	32.6
104.99213	29.0
109.10117	5.6
111.11616	4.3
160.90157	4.3
211.20503	19.6
245.81866	4.0
285.24246	35.5
304.26370	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	304.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22164	6.4
64.13211	7.3
73.33440	7.7
76.65313	7.1
88.21461	6.8
121.49471	6.7
124.86433	7.1
151.52144	7.6
161.02917	11.5
200.67647	8.4
286.69913	7.0
304.07968	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08709	0.4
55.05451	8.8
56.04965	2.2
56.96527	0.4
57.05752	0.8
60.04433	0.4
66.77595	0.4
69.03339	0.6
69.06983	2.6
70.06502	4.0
72.08069	100.0
73.08380	0.4
74.02354	0.9
74.05991	3.5
75.05525	0.4
76.03910	0.5
80.04939	1.4
82.06478	0.6
83.80894	0.3
84.04428	17.1
84.08072	2.2
85.03973	0.4
86.05991	0.6
86.09627	15.4
87.09943	1.3
88.03915	3.4
94.06483	0.7
96.04414	0.4
97.02810	0.5
99.09138	0.4
102.05503	1.4
110.05994	1.6
110.07136	0.8
114.05499	2.4
116.07050	0.9
119.01886	1.6
120.08067	0.5
122.05986	0.6
124.07633	0.5
127.08651	1.9
128.07030	0.4
129.06554	0.4
129.10184	1.5
130.04962	2.7
131.01848	0.7
133.06062	0.6
134.04431	0.5
134.05948	0.5
136.06184	0.7
136.07642	0.5
137.10741	0.5
138.09132	0.8
140.07040	2.6
141.10248	0.5
142.04941	0.6
142.08595	3.0
143.11800	1.8
144.12100	0.7
154.67821	0.4
161.02931	3.2
169.09731	0.6
170.08150	0.4
171.11252	0.7
175.10722	6.8
183.11272	1.6
184.09651	0.6
185.09232	2.2
187.10727	6.2
202.79323	0.4
209.98479	0.4
211.10869	0.5
215.10287	1.4
229.11740	4.2
249.78851	0.4
263.06256	0.5
286.13895	1.9
287.12173	0.6
304.15109	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	304.1653
Annotation	H-Trp-Val-OH
Peak:m/z	Relative Intensity
53.03880	0.8
54.61740	0.5
55.05450	18.1
56.96490	0.6
57.05727	1.4
64.33078	0.5
66.18366	0.5
68.75446	0.5
69.06968	1.3
70.06496	5.3
72.08064	100.0
73.08385	0.7
84.04435	0.7
84.08057	5.2
86.05948	0.6
86.09633	8.4
88.02124	1.1
89.15463	0.6
98.05995	0.7
98.97507	0.7
99.09134	0.7
105.06966	0.6
107.66212	0.5
110.07108	0.9
114.05447	0.8
115.05368	1.0
116.07050	1.8
117.05729	0.7
117.06960	0.5
118.06469	7.2
120.08041	3.4
127.08615	3.5
129.10204	3.0
130.06487	6.9
132.08043	20.0
142.03334	1.0
142.06503	2.8
143.07275	0.7
144.08044	16.9
146.05977	41.7
159.09122	28.6
160.07558	2.1
170.05959	7.3
188.07010	62.6
189.07387	1.1
201.08916	0.8
201.10568	1.3
205.09683	23.6
260.97760	0.6
272.07858	0.8
279.06296	1.1
287.13840	6.8
298.84927	0.6
304.16422	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	304.1862
Annotation	Leu-Thr-Ala
Peak:m/z	Relative Intensity
53.31306	0.4
56.04969	7.1
57.03365	0.8
58.02859	0.4
58.06519	2.8
61.02837	0.4
61.37020	0.4
61.71166	0.4
62.98978	0.4
67.05386	0.5
69.06981	6.9
70.06496	5.0
72.08063	2.8
73.02848	0.7
74.05983	26.7
78.73168	0.4
81.03335	0.7
84.04424	5.1
84.08058	2.2
85.02823	1.1
85.06165	0.5
85.47122	0.4
86.05981	1.0
86.09619	100.0
87.09959	0.9
88.03917	6.3
93.85856	0.5
95.04837	0.5
95.28487	0.5
96.08055	2.7
97.02834	0.6
98.02362	0.7
100.03918	1.0
101.07071	7.9
102.05471	0.6
108.17657	0.5
110.07117	2.0
114.05508	0.5
116.07054	0.6
116.90324	0.5
119.04824	0.5
120.06478	0.7
124.07547	2.5
127.05011	0.8
130.05005	0.7
132.10133	0.5
137.05898	0.5
138.09142	1.2
139.03853	1.0
141.10176	2.6
142.08653	2.6
142.12251	5.8
143.03375	0.5
143.11777	2.0
150.05443	3.3
151.03831	0.6
152.10590	0.6
156.10165	2.5
157.13332	6.8
173.09198	1.9
181.47783	0.5
183.11240	0.9
185.09213	0.6
185.12769	2.8
187.14365	22.9
191.10187	5.1
201.08763	0.5
201.12299	10.5
203.13982	0.7
215.11818	0.7
215.13849	10.1
229.11818	1.0
280.03998	0.5
286.17621	0.8
304.18588	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22880	0.1
54.82443	0.1
55.01796	0.2
55.05226	0.1
55.05449	2.0
56.62367	0.1
56.97114	0.1
57.05373	0.1
57.07000	0.2
63.80334	0.1
65.03867	0.1
66.04622	0.2
67.05416	0.9
69.06970	0.2
72.04405	0.3
79.05398	0.7
79.09654	0.1
81.03328	0.2
81.06970	1.8
83.04883	0.5
83.08521	1.5
87.40308	0.1
91.05408	0.7
93.06925	0.5
94.04108	2.9
95.04872	0.2
95.08500	0.1
98.05991	0.1
104.99191	0.4
105.06978	0.2
107.04875	0.2
107.08503	0.2
109.06455	0.2
109.10104	1.8
110.45894	0.1
114.97459	0.1
116.41799	0.1
122.03593	9.8
123.11646	0.3
133.10109	0.8
137.05948	100.0
138.05286	0.1
138.06281	0.8
149.09587	0.1
151.11185	1.0
168.13777	0.6
180.13799	0.5
204.23091	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	304.2632
Annotation	Fenpropimorph
Peak:m/z	Relative Intensity
55.05444	2.8
69.06979	9.5
72.04429	100.0
91.05394	8.5
100.07521	1.7
102.21329	1.5
104.99208	17.2
105.06958	14.2
107.08514	1.9
111.11665	1.6
113.05930	2.7
114.09174	2.4
119.08524	12.2
137.05945	1.9
147.87045	1.3
156.13803	5.9
161.13254	6.0
234.18446	10.4
262.98199	2.5
283.12723	1.8
285.77991	1.6
300.14230	1.5
304.26279	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55654	1.3
55.05437	3.1
56.96490	8.5
57.07016	24.2
58.06518	3.7
58.87659	1.9
67.05419	2.9
69.06979	7.2
70.06507	40.1
71.08515	6.1
79.05402	3.1
81.06960	4.0
87.04370	3.0
88.07043	3.0
88.07548	49.3
91.05400	6.6
93.06953	6.5
95.08511	2.1
102.09120	31.4
104.99222	24.6
105.06960	9.9
107.08533	62.0
109.69740	1.7
113.05935	13.2
117.06963	44.8
121.10062	3.0
123.33792	1.4
130.46112	1.8
131.08536	7.2
133.10071	2.2
134.99652	3.2
135.08028	38.7
137.05936	2.4
139.21428	1.6
143.08473	2.6
145.10127	2.6
161.02936	6.8
163.07509	23.9
167.10620	14.5
177.09088	3.1
183.02715	2.0
187.14784	9.6
190.31445	1.6
195.10196	3.8
201.95888	1.9
219.17497	9.2
227.12761	8.0
242.24745	79.5
255.12227	9.0
286.27463	2.8
287.20023	2.5
304.28412	100.0
305.28580	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	304.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92090	0.9
53.86080	0.7
54.07969	0.7
55.05435	2.0
56.04975	23.2
57.07013	20.5
58.06533	9.0
60.04455	9.2
69.06989	2.4
70.06467	1.0
71.08541	10.1
72.33073	0.9
74.05992	21.2
86.05978	1.7
88.07557	89.4
104.07081	1.0
104.99214	18.0
105.06959	1.5
106.07308	1.4
108.83826	0.9
109.85877	0.9
113.05959	1.9
118.08607	12.9
122.08086	8.8
123.07976	1.1
127.89852	1.0
137.09607	1.3
138.09956	1.1
148.12059	1.2
151.11243	1.2
161.02946	1.3
168.09554	1.0
177.00558	1.1
228.18253	1.5
256.26315	71.5
257.26697	1.5
262.97998	1.4
274.58011	1.0
286.22498	1.7
286.27328	3.8
304.23410	4.4
304.28427	100.0
305.28839	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	305.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95719	12.9
56.34230	12.1
60.60419	14.3
60.93250	13.3
67.91654	13.4
75.24705	15.5
86.09602	34.2
91.98031	14.9
92.10258	25.5
135.96774	17.5
143.03403	20.0
189.06656	20.3
296.92453	17.6
305.06287	100.0
321.91724	18.1
323.17786	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1018
Annotation	4,2',4',beta-Tetrahydroxy-6'-methoxydihydrochalcone
Peak:m/z	Relative Intensity
53.03894	0.4
55.01803	2.7
55.05452	1.0
56.96511	1.7
60.04470	0.6
65.03858	0.8
67.05434	3.5
68.99704	2.2
69.03330	0.7
69.06979	1.1
70.06503	8.2
72.08060	2.6
79.05389	0.7
81.06969	1.1
83.04883	2.1
84.04420	0.8
84.08066	5.2
85.02814	1.0
86.09631	5.3
90.94685	0.5
91.05422	3.5
93.03345	2.0
93.06947	0.7
94.04092	0.8
95.04897	4.3
95.08557	2.2
97.02819	2.1
98.97488	3.6
105.06967	2.3
107.04881	4.8
107.08549	1.1
109.06461	0.5
110.07116	3.8
111.04393	5.0
114.09090	0.8
114.48882	0.5
115.05379	1.0
116.00106	0.8
116.07030	0.6
116.98582	2.4
117.06976	0.7
119.04898	6.6
119.08527	0.7
120.08064	1.2
122.03588	4.8
125.05955	0.6
129.10161	1.1
130.06529	0.8
133.06474	3.8
133.10124	0.7
134.01231	1.1
134.99637	2.3
135.08025	0.9
137.04880	1.3
137.05949	58.8
139.03876	100.0
143.04893	2.0
146.06055	0.6
147.04370	23.0
147.05478	0.8
151.03918	1.2
153.05461	0.8
155.04364	0.6
158.99644	0.7
160.05180	1.0
161.05923	3.7
162.05446	0.9
168.17909	0.5
175.07510	5.2
177.00735	1.9
177.05409	0.7
179.07011	4.0
181.04950	0.7
193.08504	2.6
203.07037	0.8
219.01727	0.7
221.08023	2.0
282.06400	0.5
288.00247	0.5
305.10159	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	305.1017
Annotation	4,2',4',beta-Tetrahydroxy-6'-methoxydihydrochalcone
Peak:m/z	Relative Intensity
51.81029	0.2
53.03889	0.5
55.01808	2.5
55.05449	4.5
56.04977	2.5
56.05779	0.4
56.96497	0.7
57.05750	0.6
58.00811	0.3
59.94027	0.3
61.01069	0.4
65.03854	0.8
67.05443	2.6
68.99702	2.3
69.03343	1.8
69.06989	2.5
69.81607	0.3
70.06133	0.6
70.06507	13.5
71.06844	0.5
72.08068	23.4
73.08406	2.5
74.05988	0.4
77.89783	0.3
79.05399	1.5
81.03316	0.4
81.06972	0.5
83.04900	1.8
83.77113	0.3
84.04425	9.3
84.08065	14.9
85.02814	1.3
85.08379	0.4
86.09622	12.1
87.09928	0.4
91.05410	2.9
91.05872	0.3
93.03336	1.9
94.04113	0.6
95.04350	0.3
95.04884	2.7
95.06034	0.4
95.08523	0.7
95.38200	0.3
97.02812	1.7
98.97519	0.8
99.04396	0.4
100.11195	0.3
102.05472	2.2
105.06944	1.2
107.04926	0.5
109.06458	0.5
110.07132	2.7
111.04385	4.7
115.05408	1.8
116.07030	0.7
116.98593	0.5
118.06523	1.3
119.04900	7.8
119.08537	0.4
120.08073	1.6
121.06398	0.3
122.03574	3.9
127.03902	0.6
127.08619	0.6
128.10735	0.4
129.10197	7.3
130.04956	3.4
130.06493	1.2
131.05000	0.5
131.06863	0.3
132.08047	1.7
133.02791	0.6
133.06453	1.5
133.08386	0.4
135.04344	0.8
137.05948	58.4
138.06340	0.4
139.03877	100.0
140.04211	0.5
143.04901	2.9
144.08047	1.9
145.08369	0.4
146.05994	6.0
147.03201	0.8
147.04387	24.4
147.06151	2.6
147.11293	0.4
151.03908	2.0
152.14349	1.3
153.05420	0.6
155.08171	0.5
159.09195	2.8
160.05156	0.6
160.09450	0.4
161.02982	0.4
161.05902	3.2
163.03867	0.6
163.07472	0.5
170.05952	1.3
171.11276	0.4
175.07457	5.2
175.08525	0.3
177.05452	0.8
179.07002	3.0
181.04944	1.4
188.07045	9.5
189.05579	0.6
189.07323	5.3
191.06931	0.5
193.08598	2.4
203.06989	0.4
205.09631	3.6
206.10049	1.6
215.13762	0.4
221.08095	3.2
222.12418	0.4
237.02910	0.5
240.13307	0.4
288.14194	0.4
304.16473	0.8
305.10040	2.3
305.16827	1.4
328.01099	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05446	12.0
56.96505	11.3
59.12772	3.8
60.37830	3.7
60.46196	4.5
67.05422	19.6
69.03336	4.5
69.06982	28.1
79.05404	11.3
81.06979	35.1
83.84486	4.4
85.06481	6.7
91.05411	10.5
91.96302	4.5
93.06959	36.0
95.08511	24.5
97.06455	7.3
98.97560	8.2
105.06962	33.8
107.08556	35.5
109.06445	5.8
109.10114	20.5
109.62109	4.3
116.98550	6.3
119.08533	12.0
121.06439	7.7
121.10096	19.8
129.06989	5.7
129.41785	4.8
133.10112	19.2
134.99611	8.2
135.11642	7.3
137.05963	20.9
138.98834	6.7
145.10146	11.9
147.08014	7.9
147.11687	9.3
159.08032	28.7
161.01196	5.5
161.05937	6.5
161.09578	55.8
171.08006	10.8
173.02995	5.1
173.09587	6.0
175.07626	6.2
177.05420	69.3
185.09712	5.5
187.07518	52.6
189.09068	33.1
198.10255	6.5
199.07565	9.9
208.08882	6.4
211.07526	6.1
217.08522	23.4
223.11107	40.2
226.09863	29.5
241.12189	100.0
269.11676	7.0
287.12729	27.9
305.13577	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	305.1381
Annotation	Arteglasin A
Peak:m/z	Relative Intensity
53.03876	3.7
54.81561	4.7
55.05442	14.4
56.67604	2.9
56.96493	6.4
57.06995	3.9
59.04919	3.0
67.05421	15.6
69.03349	7.3
69.06989	22.9
71.04899	18.7
79.05433	22.3
81.06970	41.2
84.08109	3.2
85.02846	2.9
91.05395	7.9
93.06985	22.8
95.04878	5.0
95.08546	25.5
105.06969	24.3
107.08530	20.8
109.10074	16.0
116.98518	5.5
119.08526	20.5
121.06479	7.0
121.10098	16.0
129.06976	3.1
131.08539	12.3
133.06451	4.2
133.10094	7.5
137.05885	5.2
143.08601	6.3
145.10143	5.3
146.07283	5.6
147.07999	7.5
147.11687	5.5
159.08049	13.6
159.11678	3.5
161.05910	27.3
161.09569	60.6
163.11177	4.7
171.08020	3.2
174.06728	18.5
175.07492	22.7
177.00763	4.0
177.05417	7.4
185.09464	4.3
187.07507	30.8
187.11147	3.6
189.05389	12.2
189.09064	100.0
203.06978	6.2
207.06468	12.2
213.16222	3.6
217.08519	4.5
223.11168	7.4
226.09802	11.7
235.09410	4.1
241.12163	20.1
259.13239	14.5
287.12729	16.4
287.23654	4.2
305.13626	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	305.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72924	1.5
55.01805	1.8
55.05442	12.6
56.09658	1.7
56.96488	2.6
57.03387	14.0
57.07006	1.6
59.04922	1.9
61.56321	1.9
67.05426	15.6
67.05728	2.1
69.03338	11.8
69.06986	17.5
71.04913	19.0
71.53460	1.7
73.12549	1.7
78.58380	1.9
79.05397	13.5
80.85656	2.0
81.06972	29.6
82.99809	1.9
83.04897	2.3
83.08542	7.8
85.06446	3.9
85.87121	1.8
91.05399	11.6
93.06965	24.6
95.04888	10.1
95.08528	17.9
97.06467	8.4
98.97509	4.1
99.04367	16.3
99.08015	2.8
105.06973	29.5
107.04914	2.5
107.08525	22.4
109.06451	8.5
109.10103	9.2
111.08032	3.4
113.05963	10.3
116.98576	4.6
117.07024	3.5
119.08527	22.7
121.06460	64.5
121.10091	11.7
123.08018	2.5
123.11650	3.8
125.09502	2.0
127.07487	2.2
128.06163	4.5
129.06958	8.2
131.08534	11.8
133.10098	11.7
135.08014	9.3
135.11679	3.2
137.05943	3.8
141.06981	2.5
142.07768	3.3
143.08504	4.5
144.09259	2.7
145.06487	11.7
145.10110	27.8
146.07234	4.6
147.08017	49.5
147.11632	7.5
149.09550	2.4
149.13223	7.8
153.06976	2.3
155.08557	11.2
157.10089	10.5
158.07227	36.7
159.08017	36.9
159.11647	9.4
160.08791	9.5
161.09564	28.8
161.13181	2.6
163.07524	4.0
163.14761	2.1
167.08505	4.0
169.10103	3.1
170.07236	3.5
171.08022	49.2
171.11650	3.1
172.08781	24.4
173.09587	100.0
175.11127	50.7
179.08588	3.7
181.10048	2.2
183.08026	3.2
184.08839	3.0
185.09569	67.1
186.10408	2.5
187.11137	71.7
189.12656	2.3
193.10226	2.4
195.07988	3.9
196.08794	9.2
197.09663	15.8
198.10338	11.7
199.11163	18.0
199.14772	5.0
201.08972	3.0
201.12755	10.0
201.16344	7.5
207.11664	2.3
209.09599	9.7
210.10342	3.5
211.11124	18.7
212.11871	4.4
213.09146	2.5
213.12758	11.3
215.10608	19.5
215.14117	2.6
221.09612	4.7
222.10329	8.2
223.11133	3.5
224.11987	2.8
225.12671	7.7
227.10670	10.9
227.14255	26.4
229.12169	10.9
236.11949	9.2
239.14281	7.9
241.15793	22.4
251.14316	15.7
257.15359	8.5
269.15277	25.7
287.16370	22.6
287.23514	3.3
305.24683	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	305.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	13.6
56.96504	13.9
59.36913	2.7
60.75408	2.9
67.05412	30.7
69.03362	4.3
69.06983	17.3
71.04908	6.0
79.05401	16.1
81.06972	34.5
82.84151	2.6
83.04854	3.1
83.08526	4.8
91.05409	13.3
93.06960	30.8
95.04895	14.9
95.08524	33.2
97.06455	11.7
98.97520	17.8
105.06977	36.3
107.04895	4.2
107.08530	31.2
109.06480	5.7
109.10081	7.5
113.05960	7.4
116.98579	12.5
117.07016	4.9
119.08534	19.3
121.06449	78.9
121.10066	18.2
123.07983	3.8
123.11642	5.5
129.06972	4.2
131.08537	12.3
133.10086	13.7
135.08026	4.0
135.11671	4.4
137.05954	6.9
142.07790	3.4
143.08472	3.8
145.06425	3.9
145.10100	20.4
146.07277	5.4
147.08017	100.0
147.11678	4.4
149.13194	4.2
157.10202	5.5
158.07294	7.0
159.08049	35.3
159.11647	7.1
161.09583	57.4
169.10147	3.4
171.07936	26.9
172.08876	4.7
173.09583	28.1
175.11166	40.3
177.00690	4.7
185.09598	50.9
187.11142	53.0
197.09489	3.1
199.11122	13.0
206.25812	3.6
211.11143	5.2
212.11949	4.4
213.12692	31.3
227.10507	5.1
241.15765	34.0
251.14334	4.1
269.15277	14.2
287.16318	30.9
305.17325	12.5
305.24719	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96491	0.4
57.07014	11.5
58.02883	0.3
64.33120	0.2
67.05427	0.6
69.06979	1.9
72.04418	0.3
78.39294	0.2
79.05378	0.5
81.06970	1.3
88.07563	2.0
91.05397	1.2
92.10284	0.3
92.63637	0.4
93.06982	0.6
94.04121	3.5
100.07553	0.5
105.06943	0.3
107.04192	0.6
107.04900	13.6
107.08521	0.6
121.06496	0.4
122.02734	0.6
122.03585	8.5
126.09151	0.3
128.26939	0.3
133.10146	1.0
135.11618	0.5
137.05951	100.0
138.06291	1.2
147.08014	0.5
147.11581	0.3
149.05858	0.5
163.02769	0.3
163.11124	4.4
173.01170	0.3
173.47081	0.3
182.15358	1.5
194.11722	24.7
201.00687	0.6
219.01871	0.3
219.17368	1.5
250.17972	15.4
261.02991	0.4
277.53989	0.4
306.20847	0.6
306.24146	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	306.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26539	0.5
52.69525	0.5
53.95530	0.6
56.96494	1.0
57.06778	0.5
57.07009	8.0
58.06519	0.8
59.11594	0.5
61.77935	0.4
61.86457	0.4
67.05443	0.6
67.24480	0.5
69.06989	0.6
70.06141	1.0
70.06507	26.3
71.08545	4.5
81.06953	1.2
84.08060	2.8
85.02809	2.3
86.09619	1.1
88.07549	22.6
89.05949	0.7
90.79068	0.5
93.06992	0.7
95.04877	0.6
96.54802	0.5
98.97478	0.9
102.09126	4.3
114.09118	14.1
118.08555	2.8
119.08498	0.6
119.63259	0.6
127.03869	0.8
130.08618	0.8
132.10167	38.9
134.99605	0.5
137.05952	7.2
144.03795	0.5
158.36298	0.7
159.26373	0.5
162.11246	1.1
176.12791	6.8
177.00706	0.6
186.18507	3.1
194.13873	9.3
200.20044	8.4
201.00719	0.9
213.07990	0.6
218.21056	4.5
219.01732	0.7
242.09406	1.1
244.22595	1.2
260.10425	0.7
262.23676	4.2
295.80515	0.6
306.26315	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05550	0.4
55.05437	0.9
56.04973	7.9
56.96493	0.7
57.06771	0.6
57.07012	9.5
58.06533	12.9
60.04446	3.8
63.03677	0.4
65.30259	0.4
66.61797	0.4
68.04919	0.5
69.06976	0.8
70.06500	1.7
71.08532	2.3
72.07686	0.5
72.08058	3.9
74.05990	7.9
74.51561	0.4
75.04380	0.9
81.06983	0.7
85.10090	0.8
86.05992	8.2
88.07550	70.8
97.81652	0.5
100.07522	2.3
102.09106	0.6
104.07038	5.0
118.08634	1.1
122.03593	0.6
127.03897	0.5
132.10165	20.8
134.08025	0.5
137.05948	13.0
154.84938	0.4
162.11185	4.4
166.10669	3.7
173.01282	0.5
182.18936	0.9
184.20683	0.5
200.20099	1.0
201.00716	1.9
214.21613	61.2
219.01917	0.9
226.21754	0.5
258.24228	20.6
261.02902	1.1
288.25192	2.1
306.26315	100.0
307.26526	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05440	0.8
55.36193	0.9
56.01170	0.8
56.40334	0.8
57.07007	10.0
58.06522	2.1
66.14153	0.9
69.03316	0.8
70.06504	44.5
71.08543	6.9
72.08048	3.8
79.82579	0.8
84.08059	4.7
86.09612	6.0
88.07549	19.2
97.50966	0.9
101.58463	0.9
102.09092	6.0
114.09068	1.1
132.10158	14.8
137.05930	3.8
138.06921	0.9
146.11734	15.1
156.17458	5.6
182.19017	1.7
200.20062	29.7
244.22652	68.8
288.25183	1.1
306.26300	100.0
307.26791	0.9
310.05203	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00244	1.0
53.01257	0.7
53.03878	1.2
55.05445	12.7
56.19268	0.7
57.07011	7.1
58.53910	0.8
65.03858	1.5
67.05073	1.6
67.05425	44.4
69.06980	9.5
69.07261	0.7
71.08547	3.6
72.04427	100.0
74.14104	0.8
74.73933	0.7
79.05420	12.0
81.06969	37.5
83.08540	2.0
83.44791	0.9
84.85194	0.8
85.10108	1.3
89.05943	4.1
91.05408	1.3
93.06963	8.8
95.04868	1.0
95.08526	24.3
97.10091	1.3
98.54720	0.8
100.07535	3.6
107.06986	5.9
107.08529	3.5
109.10100	9.0
110.87054	0.9
114.09117	7.0
119.08498	0.8
121.10110	3.7
122.03593	5.6
123.11684	4.1
128.10646	6.2
135.11690	1.3
137.05946	57.9
138.94174	0.9
142.12248	4.5
156.13826	1.7
163.14783	0.9
170.15388	3.7
182.15436	1.0
184.16977	1.5
193.33525	0.9
198.18417	1.0
212.20103	1.0
261.22141	1.3
306.27728	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	306.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17328	0.7
53.03851	0.7
53.57041	0.6
55.05450	6.6
57.07006	1.7
57.87675	0.8
67.05426	33.1
69.06993	7.4
71.08527	1.6
72.04430	65.5
79.05407	6.4
80.24334	0.7
80.94753	1.0
81.06973	23.6
83.08534	1.6
89.05922	1.6
91.05388	1.8
93.06973	7.7
94.04110	2.1
95.04866	1.4
95.08543	19.4
99.21033	0.8
100.07545	1.9
107.07024	3.2
107.08496	2.0
109.10110	7.7
114.09122	5.0
121.10073	1.1
122.03587	7.6
123.11640	1.7
128.10699	2.0
133.10081	1.0
134.15306	0.9
137.05949	100.0
138.06297	1.0
142.12222	1.8
156.13760	1.5
170.15370	1.5
182.15227	1.4
219.20827	0.9
276.70612	0.8
284.50696	0.8
298.94797	0.8
306.27783	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	307.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03378	9.3
60.05556	11.7
61.02869	9.9
62.37735	9.2
69.03326	19.6
70.06498	55.5
72.08075	16.9
84.08075	75.5
84.08481	9.6
85.02829	100.0
87.04350	12.7
92.10197	13.6
97.02802	16.6
99.04387	12.3
119.01878	16.4
127.03867	46.3
132.08397	18.4
145.04919	12.8
149.74045	10.3
163.02634	16.0
170.00815	10.7
181.03754	14.3
185.02934	13.9
201.12416	12.5
205.03709	11.4
307.07611	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	307.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03378	9.3
60.05556	11.7
61.02869	9.9
62.37735	9.2
69.03326	19.6
70.06498	55.5
72.08075	16.9
84.08075	75.5
84.08481	9.6
85.02829	100.0
87.04350	12.7
92.10197	13.6
97.02802	16.6
99.04387	12.3
119.01878	16.4
127.03867	46.3
132.08397	18.4
145.04919	12.8
149.74045	10.3
163.02634	16.0
170.00815	10.7
181.03754	14.3
185.02934	13.9
201.12416	12.5
205.03709	11.4
307.07611	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	307.0812
Annotation	(+)-Gallocatechin
Peak:m/z	Relative Intensity
53.00245	0.6
53.03882	0.2
55.01802	0.6
61.01078	0.5
65.03854	1.4
67.05424	1.3
68.99707	1.7
69.42220	0.2
79.05428	0.4
83.04900	0.5
85.02822	0.4
87.13109	0.2
93.03333	1.7
95.04893	2.1
107.04897	2.6
111.04402	2.6
115.74300	0.3
117.03362	0.3
121.02812	1.7
123.04380	1.9
127.03845	0.6
131.04890	2.2
133.02791	2.6
135.04382	4.7
139.03879	100.0
140.04198	1.5
145.02837	1.3
147.04488	0.3
149.05962	1.3
150.31172	0.3
151.03876	2.4
153.01811	1.2
153.05460	1.4
159.04381	4.3
163.03868	10.8
169.04953	1.5
177.05450	4.1
181.04927	2.8
195.06470	3.1
205.04987	0.6
223.06026	1.1
223.22112	0.3
247.05937	0.3
307.07880	0.5
312.53796	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71524	0.1
55.01808	0.3
55.05433	0.3
58.02895	0.3
59.46852	0.1
60.01819	0.1
66.04642	0.4
67.05430	0.8
69.06989	1.6
70.07313	0.4
71.29207	0.2
78.74089	0.2
79.05413	1.4
80.05735	0.3
81.06976	1.6
82.07306	0.2
91.05410	0.8
92.05731	0.2
93.06944	0.3
94.04112	3.9
95.04447	1.1
95.08553	0.2
96.62063	0.2
97.06449	0.2
105.06973	0.4
107.04889	0.3
107.08510	0.4
108.08884	0.2
109.10101	0.7
110.10469	0.2
114.09085	0.2
122.03589	11.0
123.03928	4.2
133.10063	0.4
135.11690	0.8
136.12009	0.3
137.05948	100.0
138.06284	53.6
139.06458	0.3
151.11078	0.2
154.13011	0.2
170.15379	0.3
171.15681	0.3
182.15376	0.9
183.15717	0.8
214.61545	0.2
307.20819	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	8.9
55.01805	10.6
55.05452	58.3
56.30621	3.7
57.03369	6.4
57.07009	8.4
58.50945	4.2
65.01710	4.3
67.05425	46.6
69.06994	22.0
70.90415	4.1
71.08540	5.2
72.58697	4.2
79.05421	69.0
79.10012	3.6
81.03329	11.2
81.06993	62.4
83.04900	17.1
83.08523	18.8
91.05409	44.5
92.10320	8.4
93.06967	55.4
95.04898	8.5
95.08524	29.2
97.06460	5.0
97.10092	7.4
105.06992	52.4
107.04906	11.4
107.08518	32.4
109.06506	10.3
117.06942	10.0
119.08501	16.7
121.10119	7.8
122.03511	5.0
123.08005	5.2
125.09641	4.9
131.08565	21.8
133.10091	30.1
135.11699	5.6
137.05949	100.0
138.06281	60.9
145.10089	7.5
149.01248	5.5
149.09572	10.9
153.06810	8.0
159.11685	5.8
195.11391	62.2
201.00624	9.0
219.17387	9.6
220.55580	4.3
239.45633	4.9
275.20016	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2263
Annotation	[8]-Paradol
Peak:m/z	Relative Intensity
51.21323	1.2
55.01803	3.4
55.05445	19.0
66.07151	1.3
66.73426	1.2
67.05124	1.2
67.05412	12.8
69.03326	1.6
69.06981	15.0
71.08540	1.8
72.04421	1.8
79.05399	7.3
81.03291	1.4
81.06954	19.4
83.08524	6.7
91.05402	2.4
93.06963	14.9
94.77737	1.8
95.04877	12.6
95.08542	15.4
97.06458	7.3
97.10081	3.0
105.06963	10.4
107.08537	7.9
109.06461	100.0
109.10070	1.6
119.08530	6.4
121.06438	3.2
121.10138	2.6
123.08051	1.9
131.08553	2.8
133.10101	2.5
135.11725	1.8
137.05937	24.3
137.09575	2.7
138.06242	12.8
147.11655	1.6
165.12730	2.2
167.19859	1.3
191.14418	1.6
195.11426	2.9
251.16414	9.4
289.21487	5.6
307.22592	42.6
308.25766	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2578
Annotation	Fingolimod
Peak:m/z	Relative Intensity
51.52086	2.7
55.01796	3.4
55.05456	28.4
57.07027	4.1
57.07364	3.0
58.63705	2.5
67.05417	17.8
69.06979	19.0
71.04896	25.9
71.08529	6.7
72.04421	66.9
77.11311	3.2
79.05388	13.8
81.06962	33.7
83.04917	2.8
83.08508	4.0
84.52147	2.6
91.05373	5.5
93.06968	19.0
95.04909	6.0
95.08521	29.6
97.06435	4.6
97.10077	4.7
99.08022	3.9
100.07555	4.7
105.06995	4.1
107.08520	15.7
109.06451	32.3
109.10069	7.9
110.06784	5.0
114.09082	5.0
119.08508	6.4
121.10115	6.8
123.08025	3.8
123.94951	3.3
137.09596	32.9
144.25072	3.9
151.11133	5.4
156.13864	3.6
165.12727	12.3
168.13741	4.6
182.87985	3.2
208.74312	3.5
209.35558	2.8
237.54201	3.3
238.21562	18.4
263.20050	6.7
271.67700	3.3
282.01199	3.4
291.23111	28.8
308.22852	8.1
308.25797	100.0
317.78839	3.5
331.45370	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81697	1.6
55.05451	93.6
57.07019	18.5
62.62704	1.7
65.63763	1.7
67.05428	39.3
69.06986	87.4
71.08517	10.3
72.04430	100.0
73.04758	2.0
78.61146	2.0
79.05392	10.9
81.06971	51.4
83.08534	36.2
91.05399	3.9
92.43724	1.7
93.06955	11.7
95.08526	37.8
97.06435	2.2
97.10106	15.9
100.07549	13.8
105.06937	4.4
107.08543	8.8
109.10088	18.7
111.11704	3.0
114.09100	20.1
119.08479	2.7
123.11652	3.2
128.10657	17.3
129.29372	2.0
133.10094	4.8
135.11624	2.9
142.12254	9.5
156.13776	7.8
170.15350	3.5
212.19948	2.5
226.21526	3.6
231.88811	2.0
245.22484	4.3
248.05383	2.3
308.29413	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	18.5
67.05437	10.0
69.06985	17.4
72.04431	100.0
74.75394	1.5
81.06976	7.9
83.08533	6.6
92.10260	3.5
95.08527	8.6
97.10108	1.6
100.07537	5.6
109.10129	2.7
114.09118	7.6
120.21024	1.4
128.10645	2.6
139.27176	1.4
142.12296	2.7
152.99979	1.3
163.81195	1.3
174.10764	1.2
308.29407	32.4
309.29800	2.1
313.60962	1.4
321.18954	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74788	0.8
55.05452	17.4
56.47252	0.7
57.07005	1.2
67.05418	8.1
69.06986	16.4
69.07340	1.2
72.04433	100.0
74.95010	0.9
79.05392	1.4
81.06973	8.9
83.08532	2.0
93.07023	1.5
95.08531	8.8
97.10120	1.6
100.07549	4.9
109.10126	2.1
114.08373	0.9
114.09114	7.4
128.10674	1.9
133.10033	1.1
142.12245	2.2
144.88260	0.9
156.13754	1.2
163.75456	1.0
189.37148	0.9
204.29973	1.2
226.21826	1.0
272.34586	1.1
308.29373	30.0
309.29895	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	15.7
55.01796	3.6
55.05450	13.9
55.06916	1.2
56.60519	1.2
56.96480	7.0
57.03363	6.4
59.04941	1.8
59.76224	1.3
60.00559	1.4
65.03838	1.6
65.13837	1.3
67.01778	1.4
67.05077	2.3
67.05428	70.1
69.03337	6.9
69.06984	8.3
70.06505	3.0
71.04916	2.6
72.08084	1.6
79.05395	14.4
81.03332	75.9
81.06973	54.8
82.04095	1.7
83.04890	8.8
84.04427	1.8
84.08069	3.1
85.02833	2.6
86.09622	7.1
91.05396	14.5
93.06952	10.4
95.04886	8.5
95.08527	16.5
97.02812	8.3
97.06476	2.1
98.97506	12.3
99.04354	1.5
99.08021	2.6
103.05386	2.5
105.06966	6.8
107.04887	2.0
107.08544	17.3
109.02825	82.7
109.06445	10.2
109.10102	97.2
110.03608	17.5
111.04375	7.0
116.98548	13.3
117.06961	2.5
119.04932	2.1
119.08517	8.4
120.08042	2.2
121.06413	2.3
123.08073	1.6
124.05184	2.1
125.02345	10.3
126.03078	2.9
127.03875	24.2
128.14529	1.5
128.15793	1.4
129.10226	2.5
131.04884	2.7
131.08533	2.5
133.06462	2.4
134.99619	7.5
135.07997	16.3
137.05937	9.0
137.09590	100.0
143.08519	1.6
146.99619	2.5
147.08032	1.9
151.07411	2.3
155.10550	1.5
161.05919	7.6
163.07458	3.4
165.05415	1.4
165.09074	39.5
177.00636	3.4
182.34927	1.7
199.11958	1.5
281.08444	1.7
291.12076	1.7
309.13309	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	309.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	14.2
54.81458	1.7
55.01801	3.0
55.05463	12.5
56.96490	9.1
57.03362	8.3
64.33231	1.7
65.03862	1.9
67.05077	2.5
67.05427	71.8
69.03328	9.8
69.06994	11.9
70.06503	11.4
71.04905	4.1
79.02700	1.6
79.05407	14.4
81.03336	67.7
81.06973	59.2
83.04893	8.9
84.04408	1.9
84.08058	6.9
85.02818	7.7
86.09606	9.6
91.05402	12.7
93.06950	8.9
94.86326	2.5
95.04885	7.9
95.08527	16.0
97.02811	6.8
97.06447	2.1
98.97512	9.7
99.08027	2.7
103.05370	1.9
105.06965	10.0
107.04898	2.8
107.08554	14.5
109.02829	62.8
109.06454	11.4
109.10106	100.0
110.03585	14.2
111.04384	9.7
116.07085	2.0
116.98561	9.3
117.06992	3.7
118.06466	16.3
119.08517	8.5
120.08006	2.7
121.10075	1.6
124.05136	2.5
124.85761	1.5
125.02300	8.6
126.03062	3.0
127.03860	23.2
129.10210	3.3
130.06465	1.8
131.06772	1.8
131.08487	3.7
134.99622	4.2
135.08015	18.0
137.05925	9.3
137.09586	98.6
144.08075	3.1
145.06430	1.8
146.05995	34.1
147.07968	2.2
147.11581	1.8
155.10611	2.3
157.10107	1.9
158.99617	1.9
159.11705	2.8
163.07442	2.2
165.09070	39.6
170.05965	2.8
177.00725	6.8
181.08397	2.0
188.07010	25.2
237.02849	1.7
279.03943	1.8
289.14737	2.0
291.12189	3.1
309.13306	70.9
327.83249	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41178	0.3
52.18361	0.3
57.03360	0.4
61.03986	0.5
62.06016	100.0
62.27179	0.3
64.32979	0.5
69.03330	0.4
69.57991	0.4
71.04890	0.7
73.19733	0.4
77.59335	0.4
78.39803	0.4
84.04433	0.5
84.08053	0.5
85.02836	2.6
85.06483	0.5
92.10918	0.5
136.06194	2.2
164.99825	0.6
223.97818	3.1
224.91312	0.4
260.03479	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2056
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
55.01802	34.1
55.05451	52.8
56.96486	6.9
58.35588	6.5
60.12765	6.1
67.05431	63.5
68.51136	5.9
69.06970	9.1
71.04906	9.2
79.05421	55.4
81.03328	12.5
81.06968	100.0
83.04901	89.2
83.08530	15.3
85.02804	15.4
91.05385	40.9
93.06964	64.9
95.04876	13.0
95.08507	14.4
96.05317	6.0
97.06459	12.2
97.10089	10.8
99.04376	6.7
105.06954	32.0
107.04916	11.9
107.08536	39.3
109.06454	11.2
109.10082	9.5
111.04365	69.9
111.08018	30.4
115.70174	6.9
116.98557	10.6
117.06945	14.5
119.08540	26.7
121.10110	27.1
122.39790	6.1
123.08034	16.7
123.92203	5.8
125.05887	6.1
127.03878	9.3
129.07030	11.4
131.08444	10.9
134.99548	10.9
136.06194	8.6
137.09438	6.4
145.10080	32.4
147.07997	12.8
153.12747	20.2
163.11191	15.3
173.09608	11.1
179.00658	7.8
181.12190	9.3
186.42570	6.7
195.29805	6.1
205.73491	6.7
273.18381	32.3
291.19455	61.9
309.13089	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	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03881	3.3
55.01815	28.5
55.05450	37.2
56.96497	2.0
57.03364	7.1
57.06995	1.3
57.47818	1.3
57.96861	1.2
59.04934	1.3
65.03836	2.2
67.05424	55.0
69.03345	6.7
69.06982	12.9
71.04887	6.7
79.05405	66.0
81.03336	11.4
81.06973	100.0
83.04437	2.7
83.04897	41.9
83.08548	17.1
85.02839	12.1
85.06465	3.3
91.05402	25.1
93.06430	2.4
93.06973	39.9
95.04893	23.6
95.08540	21.4
97.06480	10.5
97.10102	12.6
99.04369	9.1
99.08024	3.4
105.06969	23.0
107.04883	11.4
107.08522	23.1
109.06471	21.8
109.10089	11.1
111.04391	69.5
111.08026	21.9
115.05378	1.4
117.06975	23.5
119.08532	40.3
121.06451	10.2
121.10110	22.6
123.08025	17.2
125.05901	2.4
125.09573	7.3
128.06168	1.5
129.05432	1.7
129.06960	9.2
130.07762	2.6
131.08531	18.0
133.06470	1.9
133.10052	3.3
134.99623	1.8
135.07993	7.2
135.11662	16.1
137.09564	3.0
138.06293	1.9
139.06471	1.5
139.11223	2.1
143.08490	5.7
145.06435	1.7
145.10092	23.3
147.08034	15.7
147.11610	2.0
149.09590	8.1
153.12724	13.8
155.08568	1.6
157.10068	2.5
159.11597	2.0
161.09598	7.0
163.11145	21.6
163.75874	1.5
165.09064	2.9
173.09557	3.4
181.12207	17.5
189.11203	2.9
191.10629	10.7
202.85301	1.7
209.11664	1.7
223.13319	2.3
227.12724	2.1
249.14769	6.1
273.18433	21.5
291.19467	92.6
309.20572	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2423
Annotation	Yaretol
Peak:m/z	Relative Intensity
55.01796	1.6
55.05453	28.3
57.03357	1.2
57.07004	7.8
67.05430	24.5
67.75938	1.3
69.03356	2.0
69.06647	2.0
69.06988	28.2
71.04907	5.7
71.08551	22.4
72.04424	1.7
74.06302	1.4
75.53802	1.2
79.05403	17.2
81.06979	41.1
83.04911	2.8
83.08515	9.0
85.06485	1.4
91.05436	9.4
93.06982	29.0
95.04896	7.6
95.08536	28.3
97.06470	9.5
97.10091	5.4
99.08025	9.2
105.06976	11.5
107.08542	23.0
109.06460	16.6
109.10080	7.7
109.49716	1.3
111.08007	1.9
119.08564	9.3
121.10106	9.5
123.08002	5.4
123.11678	2.8
131.08516	1.7
133.10039	4.5
135.11626	4.8
137.09532	1.7
137.13196	1.9
149.13266	2.3
153.12735	2.6
159.11737	1.9
161.13168	1.5
165.12730	17.6
167.14284	1.2
175.14833	3.0
179.14137	1.8
193.15828	8.8
207.17409	1.4
235.16838	1.8
291.23154	20.5
309.24185	100.0
310.24753	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	309.242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00234	2.9
53.03885	3.5
55.01813	3.6
55.05450	42.7
57.03355	12.9
57.06997	4.7
60.73803	2.0
67.05071	3.7
67.05422	74.4
69.06983	22.1
71.08544	71.9
79.05411	67.4
79.15374	2.3
81.03340	9.7
81.06973	74.6
83.04883	21.7
83.08525	12.6
85.06464	3.7
91.05402	42.9
93.06963	100.0
93.46806	2.4
95.04864	19.1
95.08521	53.0
97.06451	13.5
99.07996	27.5
103.40656	2.4
105.06968	27.8
107.04912	3.5
107.08518	37.5
109.06476	4.4
109.10102	14.9
112.25357	2.2
117.06948	5.1
119.08511	21.0
121.10094	32.2
123.11626	3.8
129.06995	2.9
131.08542	4.0
133.10098	15.5
135.11665	36.7
136.06129	3.1
136.38380	2.3
143.08527	2.7
145.10043	5.3
147.11694	3.4
149.13225	9.7
151.11171	21.8
153.12721	2.5
161.13223	10.4
163.11058	9.7
163.14850	3.1
179.14267	73.4
196.58380	2.3
235.16754	3.2
277.21564	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2422
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
52.03022	3.8
52.31475	3.4
53.03886	18.7
53.74637	3.7
55.01816	5.1
55.05458	39.0
57.07008	7.0
57.48896	4.8
58.49124	3.8
64.70674	4.1
67.05434	72.6
67.35920	4.5
69.06989	44.9
79.05404	49.7
81.03336	100.0
81.06972	71.0
83.04909	12.1
83.08546	8.0
91.05396	28.6
93.06977	49.0
95.04895	46.5
95.08535	24.6
97.10114	8.8
105.06967	30.6
107.08536	29.3
107.10190	4.6
109.06429	7.9
109.10121	26.9
119.08527	7.5
121.10131	10.3
125.09516	5.6
133.10121	20.1
135.11681	5.2
146.15079	5.5
147.11710	6.6
151.11168	28.4
162.06471	5.0
165.12714	6.5
203.17847	4.6
231.21075	7.5
277.21530	61.6
299.92957	5.0
312.16003	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	310.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68678	0.3
51.30334	0.4
52.60383	0.3
53.03879	0.8
53.82675	0.3
56.04972	0.6
57.03369	0.4
60.04452	0.4
65.03863	0.7
67.05434	4.8
69.03344	0.7
70.06139	0.6
70.06507	9.7
71.04900	0.4
72.08073	0.4
73.02811	0.4
79.05407	0.5
83.05997	2.1
84.04427	4.3
84.08068	2.4
85.02823	2.0
86.00571	7.9
86.09641	0.5
94.06493	19.2
95.04865	0.6
97.02812	0.7
98.06006	1.5
106.06493	6.8
110.05951	0.9
110.07126	0.5
112.07523	0.6
113.05933	0.7
114.00043	2.6
115.03192	0.4
116.01637	7.0
116.07027	1.5
119.04861	0.5
122.05973	15.9
123.06728	0.8
129.10228	0.7
130.04938	1.9
134.05956	6.1
136.06047	0.5
136.07559	4.9
136.14566	0.4
138.05486	2.2
140.07034	27.9
143.02725	22.0
147.04460	0.4
150.05475	100.0
151.05815	0.6
152.07040	4.4
158.31874	0.5
164.07022	3.1
165.05420	0.5
168.06531	5.8
171.02193	18.1
184.04213	0.7
184.09583	0.4
184.55846	0.4
189.06586	0.4
191.08191	0.5
196.04155	1.6
198.05859	0.8
207.05753	0.5
207.07559	0.4
213.12318	2.1
219.56734	0.5
234.86336	0.4
246.31299	0.4
292.07379	0.5
292.12854	0.6
293.11115	0.7
310.08493	32.8
310.17569	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81355	1.1
55.01803	2.6
56.04959	1.7
56.96493	1.5
57.03364	7.3
59.03666	3.0
61.02839	1.8
62.06017	13.9
63.06352	1.9
68.04916	1.3
69.03342	17.9
69.06984	1.4
70.06505	66.7
70.06893	2.2
71.04880	8.4
72.08060	5.3
73.02840	2.0
74.05944	1.6
79.05412	1.9
81.03319	7.0
83.04955	1.7
84.04433	12.3
84.08072	10.8
85.02816	19.0
86.09614	2.9
87.03123	16.8
88.03903	3.0
91.05408	28.4
93.07014	1.2
95.04888	1.4
97.02824	17.0
98.05962	7.4
98.85030	1.3
99.04379	2.3
101.02307	1.6
103.05395	20.4
105.06971	15.7
107.04887	6.0
109.02801	3.2
110.07080	5.3
112.03904	16.4
113.02266	1.6
113.05923	6.2
114.05423	2.3
115.05367	1.9
116.07024	8.3
117.05626	2.8
117.06942	2.9
119.07253	2.3
120.08054	100.0
121.08366	1.6
126.05453	5.1
127.03882	9.2
129.06927	2.1
129.10194	2.5
130.04980	2.2
130.06512	16.0
131.04880	5.0
131.07007	6.3
132.07100	2.4
132.08051	55.1
134.09615	1.7
134.78322	1.2
136.04990	1.5
136.07530	2.7
143.05737	8.4
144.08032	9.8
156.08031	3.1
161.06873	3.0
162.09117	3.1
166.08563	15.9
178.08549	6.1
198.09079	4.8
202.03258	1.7
202.08617	2.3
213.12296	14.3
244.09599	1.8
246.11203	8.9
264.12238	24.8
292.11755	23.8
306.92688	1.3
310.12741	28.5
310.17517	7.9
311.07114	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20433	0.6
53.03876	3.6
55.01799	1.3
57.03371	6.5
57.07011	12.9
59.04927	0.9
61.02861	9.7
66.09818	0.8
67.05431	16.9
67.52434	0.9
69.03349	15.9
69.06995	1.5
71.04903	7.7
73.02811	3.7
77.30103	0.8
81.03333	7.3
83.01263	1.3
84.04445	1.1
85.02829	79.8
85.06475	11.4
87.04391	1.2
91.03872	3.8
95.04894	32.5
97.02825	21.3
99.04374	3.2
109.02826	5.9
110.07091	0.8
113.05955	59.0
120.08025	3.3
127.03862	11.5
131.07005	100.0
145.04944	15.7
149.08080	1.0
163.05956	4.6
239.13925	0.9
293.12134	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	310.3101
Annotation	Hexadecanoylpyrrolidine
Peak:m/z	Relative Intensity
55.05452	6.2
57.07011	4.2
67.05423	1.0
69.06990	6.0
71.08543	1.1
72.04425	100.0
81.06973	0.8
83.08527	3.3
95.08512	1.2
97.10114	2.1
100.07540	3.7
107.08583	0.6
114.09114	9.4
115.94166	0.5
126.65890	0.5
128.10670	4.8
136.89192	0.5
142.12230	2.6
149.62405	0.5
156.13849	0.8
170.15366	0.7
201.70468	0.6
271.51514	0.5
298.49893	0.6
310.30954	46.9
311.31201	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.3099
Annotation	Oleoyl Ethyl Amide
Peak:m/z	Relative Intensity
50.13625	0.5
53.54139	0.6
55.05449	1.2
55.31916	0.6
56.29479	0.5
57.07014	6.2
59.19033	0.7
61.83852	0.6
65.39854	0.6
69.06962	1.1
69.54422	0.6
70.06496	1.3
71.08527	3.1
72.04422	0.8
72.08065	36.2
72.85593	0.6
85.04783	0.6
98.05978	1.0
109.61868	0.6
128.10645	1.4
132.47456	0.8
142.12228	2.5
156.13823	0.9
218.69800	0.6
309.35443	0.6
310.30963	100.0
311.31293	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	310.3102
Annotation	Hexadecanoylpyrrolidine
Peak:m/z	Relative Intensity
55.05441	16.0
57.06998	28.4
67.05429	7.9
69.06979	28.9
71.08530	6.9
72.04427	95.0
83.08532	8.6
83.35657	6.7
106.17102	7.0
108.07951	6.4
114.09116	10.0
131.65282	6.0
180.37708	7.7
197.43626	7.2
310.30945	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2212
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01814	15.3
55.05436	49.8
55.08038	6.8
56.96490	32.0
60.55170	7.9
61.98529	6.7
67.05424	94.7
69.06989	56.1
71.04910	9.3
76.00032	6.7
79.05407	77.8
81.03316	7.2
81.06977	100.0
83.08514	11.5
86.35643	7.8
91.05408	66.3
93.06940	59.2
95.08540	62.9
97.10101	16.9
101.91274	8.7
105.06958	73.1
107.08504	43.5
109.06470	11.9
109.10110	34.6
115.08417	7.8
117.06963	8.0
119.08543	70.9
121.10088	15.9
125.09609	8.0
131.08536	35.0
133.10072	36.4
145.10159	11.2
147.11670	8.7
149.09572	7.6
159.11630	15.4
173.71783	8.7
177.21532	8.7
179.10645	8.1
243.05292	10.6
271.12012	11.0
275.20035	43.8
293.20914	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	311.2212
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
52.22581	1.2
52.28721	1.1
53.03892	2.1
55.01812	11.7
55.02029	1.5
55.05454	24.6
56.74690	1.3
57.03377	6.2
67.05424	48.8
69.06984	24.9
71.04903	2.8
79.05408	40.7
81.03316	2.7
81.06973	100.0
83.04894	8.7
83.08535	7.5
85.06469	1.8
91.05408	26.7
93.06968	29.3
95.04894	12.5
95.08524	27.1
97.06454	8.1
105.06976	26.6
107.04901	11.6
107.05552	1.4
107.08548	13.8
109.06469	14.6
109.10117	14.6
111.08067	2.5
117.06970	6.8
119.08537	22.7
121.10101	10.5
123.08026	8.3
123.11649	3.5
131.08510	11.4
133.10083	12.6
135.08067	2.6
135.11681	7.3
137.09564	1.5
145.10081	6.0
147.07968	1.8
147.11667	11.6
149.09619	3.3
149.13222	2.0
159.11647	2.6
161.13330	1.8
163.11130	2.9
173.13214	1.9
177.12773	1.7
186.21481	1.8
241.19075	1.7
257.19016	3.2
275.19980	30.6
293.20990	13.8
320.88922	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2214
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
52.56897	2.3
53.03878	4.8
53.74341	2.1
55.01816	22.6
55.05449	57.3
56.27505	2.3
57.03369	5.7
57.06997	2.5
57.71547	2.6
65.26308	2.1
67.05080	3.4
67.05426	100.0
69.06993	37.4
71.04894	3.0
79.05408	55.1
81.03330	14.0
81.06970	89.4
82.56071	2.6
83.04893	13.9
83.08541	20.7
85.06480	4.0
90.07392	2.4
91.05402	61.0
93.06966	72.9
95.04888	32.2
95.08530	60.2
97.02821	2.9
97.06438	12.7
97.10113	3.1
105.06979	59.2
107.04895	15.4
107.08529	39.5
109.06460	9.7
109.10098	34.1
111.04396	3.3
111.08028	4.7
117.06953	17.4
119.08537	38.4
121.06436	17.1
121.10068	29.7
123.08001	12.6
125.09577	5.6
129.06929	4.1
131.08556	27.2
133.10091	45.0
135.07996	4.2
135.11662	14.4
137.09546	4.8
143.08548	3.5
145.10077	24.7
147.11639	12.1
148.68561	2.7
149.09592	34.5
151.11148	10.5
155.08528	3.0
159.11578	5.3
161.13197	5.0
163.11122	18.7
169.10091	2.5
171.11710	3.5
173.13203	4.4
190.10101	3.2
205.12245	2.7
209.11674	3.8
223.13275	5.8
239.17773	4.7
247.20453	3.4
257.18924	12.6
275.19974	54.4
293.21082	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73108	8.7
54.81619	10.4
55.01798	10.8
55.05455	79.3
56.96496	16.4
64.31422	9.7
67.05421	86.8
69.06978	17.7
73.66281	9.1
74.19646	9.2
79.05397	59.5
81.06984	100.0
83.08554	15.7
85.06480	10.6
91.05396	42.9
93.06974	69.3
95.04903	16.9
95.08534	57.6
97.72626	11.4
98.97491	18.8
100.11158	17.8
105.06948	57.4
107.04916	12.3
107.08549	52.0
109.10125	25.0
116.98563	13.0
119.08510	22.8
121.10035	17.4
131.08498	42.8
132.40796	9.9
133.10071	47.5
134.99655	20.3
135.07933	9.8
145.10115	19.1
159.11737	11.8
170.97531	15.0
175.11118	12.9
182.15213	12.9
218.58479	11.7
275.19968	50.9
298.27612	12.0
306.42340	10.2
311.18240	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2215
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
54.81989	1.1
55.01816	12.4
55.05450	33.9
57.03375	2.0
57.06734	1.6
57.07011	46.2
65.03838	1.1
65.67950	1.2
67.05425	22.6
68.99712	1.6
69.03346	1.4
69.06982	9.8
71.01282	1.0
71.04890	1.9
71.08543	1.6
79.05405	20.1
81.03323	4.8
81.06972	22.1
83.04903	25.2
83.08536	16.5
85.02832	4.9
91.05399	10.8
92.10898	1.8
93.06961	22.9
95.04892	45.1
95.08522	8.8
97.06466	7.6
97.10110	8.5
99.04400	2.6
99.08005	1.2
105.06991	14.5
107.04893	11.1
107.08534	19.8
109.02802	4.7
109.06453	2.4
109.10115	5.2
111.04389	46.8
111.08033	6.5
117.06971	5.0
119.08505	8.8
121.06461	2.0
121.10082	12.1
123.08007	1.9
125.05938	12.0
125.09584	6.9
129.06956	1.2
131.08516	6.7
133.10086	6.1
135.04390	3.9
135.08044	4.1
135.11630	6.7
135.41757	1.1
137.09561	4.4
142.53188	1.0
145.10114	12.4
147.08009	2.4
147.11714	2.1
149.09589	14.3
153.05450	21.8
153.12746	2.0
159.11676	2.5
163.11124	18.4
165.09065	1.2
177.12700	1.3
181.04866	2.2
181.12233	10.8
189.11237	4.7
191.10605	18.6
205.12198	1.3
209.11688	100.0
223.13248	21.6
237.11159	38.5
255.12251	10.2
275.19949	16.8
278.78201	1.0
293.17517	4.9
293.21054	19.0
311.18439	6.1
311.21909	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	312.1338
Annotation	5-(N,N-Hexamethylene)amiloride
Peak:m/z	Relative Intensity
55.05444	2.1
56.78860	1.7
56.96492	3.5
57.25666	2.0
58.11626	1.9
58.12674	2.0
67.05421	4.3
79.05406	3.6
80.57507	2.3
81.06965	4.1
82.06481	2.7
84.04445	2.1
85.64101	2.0
93.06949	2.8
94.02843	2.9
95.04886	3.4
95.08542	2.7
104.82898	2.0
105.06968	5.1
107.08529	3.9
108.04416	10.0
116.98548	3.1
118.06520	4.1
119.08605	2.4
129.06955	14.9
130.06476	4.0
134.05937	2.3
134.99551	2.9
135.11649	2.3
144.08064	5.1
145.10280	2.2
146.05968	21.8
152.96483	3.0
154.06448	2.8
156.08049	84.5
168.08034	18.2
170.09650	5.5
180.08044	12.0
182.09709	4.9
188.07021	21.3
194.09627	31.2
206.09514	3.5
214.08580	2.6
217.12630	2.5
221.10593	3.0
222.09242	5.3
223.08646	5.4
223.12198	3.2
249.10222	4.1
266.12830	2.5
295.10681	100.0
312.13388	77.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14497	0.2
54.81587	0.2
56.04969	0.2
57.44938	0.2
61.01073	0.3
64.33109	0.2
69.06973	3.2
75.02605	0.2
81.03326	0.2
86.09623	100.0
87.09958	1.0
88.03917	0.3
104.05247	0.4
132.10164	31.7
133.03159	0.5
143.24245	0.2
152.44220	0.2
160.79218	0.2
191.50546	0.2
230.08412	0.3
263.52359	0.2
276.09076	0.9
294.10028	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03868	2.5
55.01805	3.4
56.04949	0.7
56.96494	0.8
57.03368	7.7
59.04939	0.6
61.02856	13.3
69.02959	0.9
69.03344	23.3
69.06985	10.7
70.06500	4.2
71.04898	3.4
72.08054	2.6
73.02815	4.9
81.03327	8.9
83.01265	1.4
84.04422	2.9
84.08034	4.6
85.02824	100.0
85.54128	0.7
86.09603	2.6
87.04375	3.1
87.08028	14.0
91.03883	5.7
91.05353	0.8
92.10718	3.3
97.02823	27.2
98.97525	0.7
99.04395	4.5
104.51894	0.6
105.09062	1.2
109.02818	7.8
110.07118	1.1
115.03834	0.7
120.62430	0.7
121.58501	0.7
127.03866	18.0
129.10201	1.2
133.08546	2.5
145.03850	1.3
145.04930	23.7
163.05969	6.1
276.01398	0.6
295.13861	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2165
Annotation	YM 47515
Peak:m/z	Relative Intensity
54.06575	1.7
55.05445	30.7
56.96489	4.1
56.98572	2.0
57.06997	4.1
65.03858	1.9
67.05424	27.3
69.06982	12.6
71.04901	4.8
72.35825	1.8
72.41539	1.8
78.02956	1.9
79.05415	16.4
81.06969	37.6
83.04891	21.5
83.08531	24.4
84.08065	5.2
85.06469	4.9
91.05424	3.4
93.06964	41.6
95.08536	12.0
97.06458	38.7
98.97514	4.3
99.04366	1.9
100.07543	5.0
105.06947	2.3
107.08530	39.8
109.10107	10.1
111.04376	9.1
116.98579	8.6
121.10081	21.8
121.92020	2.1
125.70329	1.9
134.99651	4.7
138.60435	2.3
139.93497	2.0
149.13220	100.0
149.14374	3.3
158.03615	2.3
161.01164	2.7
167.14227	16.7
184.16910	75.9
206.00751	2.6
236.51103	2.4
250.21623	9.2
266.21069	99.1
294.20560	87.8
312.21683	25.0
322.30066	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	312.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51177	1.1
55.01812	28.2
55.05449	17.8
56.04966	2.9
56.96504	11.3
57.03360	2.3
57.07014	3.4
58.02896	28.7
60.04449	9.0
69.03346	2.8
70.02865	6.5
70.06511	58.1
72.04425	8.6
72.08064	5.9
74.02350	6.3
79.05401	1.6
83.04884	2.8
83.08524	10.6
84.04428	37.6
84.08067	72.7
85.02824	5.8
85.08403	3.1
86.09623	18.9
87.04394	2.5
88.03910	10.0
91.05401	18.1
92.64377	1.7
93.07018	2.4
95.04897	2.1
96.08040	8.3
97.02817	2.6
98.97517	7.3
100.11185	37.8
103.05412	6.8
105.06999	2.1
107.04901	6.2
108.41371	1.5
110.07111	8.5
111.04394	3.0
111.09113	1.7
112.07573	1.2
112.68803	1.2
114.09116	100.0
115.03906	2.0
115.08690	1.7
116.98582	5.5
118.06484	19.8
119.04884	3.6
120.08064	40.1
122.77191	1.5
123.04390	1.5
124.07530	1.7
125.07088	10.0
129.10202	13.8
133.02791	2.9
133.06404	1.4
134.03186	2.5
134.99654	5.7
136.07568	11.7
137.05994	5.4
138.06383	2.3
139.04968	2.0
142.08611	35.7
146.05998	21.7
147.06404	1.9
149.03429	2.1
149.05911	1.6
151.07507	2.4
154.12231	36.2
154.13391	2.5
162.05426	5.5
170.42479	1.5
171.14854	18.2
177.00746	1.7
181.13280	2.7
182.15378	2.6
185.04810	3.4
188.08203	2.7
203.05832	11.1
207.74777	1.4
209.12825	15.5
210.14879	3.1
211.02594	1.7
217.09717	2.5
217.13231	1.7
220.08147	1.8
226.15514	12.7
229.03746	7.6
233.09225	2.5
247.04912	3.7
248.10281	10.8
281.18524	13.7
294.21713	2.9
312.11792	2.4
312.22733	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05451	11.3
55.93029	2.6
56.44791	2.9
56.96497	12.9
57.07011	2.9
58.85083	3.0
67.05424	7.1
69.06975	19.6
71.04913	4.5
71.08542	100.0
79.05413	11.6
81.06960	28.5
81.25775	3.2
83.08534	6.9
83.41791	2.9
85.33576	2.8
93.06966	6.5
95.08540	45.8
99.08029	56.8
105.06962	3.4
109.10107	17.3
119.08508	3.7
121.10088	12.5
122.99561	3.2
123.00490	2.9
133.29303	3.3
134.99617	3.1
143.00160	4.3
151.14771	6.3
161.01183	5.5
193.18303	3.3
197.15317	5.3
214.17947	36.8
215.16374	39.4
233.97585	3.5
295.22836	4.3
312.25262	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	312.3256
Annotation	SCHEMBL10213257
Peak:m/z	Relative Intensity
51.65324	0.4
55.05434	1.4
56.04997	0.6
57.06738	0.9
57.07010	25.2
69.06980	2.8
71.04906	1.2
71.08548	5.8
71.08884	0.8
74.05976	6.1
74.09615	0.7
80.58266	0.7
83.08527	1.2
83.86277	0.6
85.10096	0.9
88.07549	21.9
92.10931	1.9
98.49265	0.6
100.07590	0.6
102.09110	12.5
106.99650	0.5
115.86585	0.5
116.10673	3.4
130.12253	1.4
158.15413	0.8
164.67250	0.6
177.69044	0.7
256.26288	58.0
257.26498	1.3
312.32529	100.0
313.32816	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	312.3257
Annotation	SCHEMBL10213257
Peak:m/z	Relative Intensity
57.07009	11.8
64.39488	1.3
72.04420	3.5
80.14249	1.5
102.09095	2.7
116.10680	3.3
130.12257	2.1
139.43121	1.7
154.47206	1.6
227.12671	1.7
312.32544	100.0
312.36227	3.4
313.32928	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.3257
Annotation	SCHEMBL10213257
Peak:m/z	Relative Intensity
55.05436	1.1
57.07013	8.9
64.29252	0.6
65.12971	0.7
66.86294	0.7
67.05423	0.9
69.06979	0.8
69.59616	0.6
71.08531	4.9
74.09627	44.2
83.08522	0.8
85.10094	1.3
92.10302	1.2
94.01663	0.7
95.08504	0.9
95.25373	0.7
103.90427	0.8
130.12250	1.2
144.13759	1.1
147.31628	0.8
193.14172	0.8
193.19798	0.8
312.32529	100.0
313.33023	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	312.3257
Annotation	SCHEMBL10213257
Peak:m/z	Relative Intensity
57.06770	0.6
57.07013	9.4
71.08539	2.4
72.04430	7.1
85.10103	1.3
102.09107	5.3
116.10668	6.6
127.03596	0.5
130.12265	1.4
140.11324	0.5
151.39799	0.6
183.53354	0.6
312.32529	100.0
313.32803	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1796
Annotation	2beta-Hydroxyjatropholone
Peak:m/z	Relative Intensity
50.26647	1.1
53.00231	1.3
53.03891	1.3
54.52129	1.1
55.01812	15.0
55.05455	15.3
56.96510	1.4
57.03369	2.4
57.07010	10.7
67.05430	12.7
69.00553	1.2
69.03339	9.4
69.06998	14.7
71.08542	3.4
76.56514	1.5
79.05409	14.4
81.06978	14.3
83.04871	3.6
83.08533	6.2
85.06457	2.6
91.05399	13.6
92.10873	1.9
93.06964	9.8
95.04878	6.3
95.08526	12.0
97.06455	2.7
97.10110	2.2
99.04375	2.0
105.06967	17.3
107.04172	1.3
107.04884	1.6
107.08520	9.4
109.06452	6.3
109.10118	2.9
111.08022	5.8
117.06961	9.0
119.08537	58.4
121.06455	2.1
121.10096	6.9
123.08012	3.2
128.06166	2.3
129.06949	9.1
130.07715	1.6
131.08524	19.5
133.10103	27.6
134.99588	1.5
139.11165	8.0
141.06973	5.9
142.07742	5.9
143.08545	11.8
144.09377	1.7
145.06450	2.2
145.10098	15.7
147.08067	6.7
147.11607	2.7
149.09589	1.3
153.07005	1.9
154.07835	2.5
155.08533	8.5
156.09317	10.8
157.06427	1.9
157.10120	10.4
158.07239	3.1
159.08034	3.1
159.11664	7.8
161.09592	7.5
165.06891	2.7
167.08527	8.6
168.09306	3.0
169.06372	1.8
169.10106	15.2
170.10876	3.2
171.08035	6.7
171.11642	17.4
172.08806	2.6
173.09636	11.4
173.13235	9.9
175.11205	1.9
177.83701	1.5
179.10683	2.1
180.09315	3.0
181.10085	9.9
182.10876	3.1
183.08022	7.3
183.11688	6.5
184.08809	3.2
185.05928	2.8
185.09581	9.8
185.13211	2.9
187.11140	2.9
193.10170	2.5
194.10938	1.7
195.08020	5.7
195.11649	15.1
196.12462	6.3
197.09573	14.1
197.13235	9.7
198.10349	9.0
199.11078	2.8
205.10175	2.9
209.09586	7.5
209.13266	6.4
210.10304	5.4
210.14029	3.0
211.11237	6.8
213.09151	3.1
213.12709	6.7
215.10687	3.1
215.14227	2.1
219.11696	5.8
222.10417	2.0
223.11151	17.3
224.08327	1.6
224.11960	1.7
224.15471	2.2
225.08945	1.6
225.12727	3.2
225.16415	11.0
226.09853	3.3
237.12730	8.4
239.17859	3.2
241.12172	25.2
243.17386	3.4
249.16298	3.3
252.14989	5.5
253.15807	8.5
255.13872	1.9
262.13400	2.3
265.12250	3.0
267.17386	6.6
271.16891	9.3
277.21600	3.3
295.16763	10.4
295.22620	2.5
313.17914	100.0
313.27078	2.1
314.18173	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1794
Annotation	Centrolobine
Peak:m/z	Relative Intensity
53.88413	1.5
55.01808	2.6
55.05442	13.3
57.03358	2.9
57.06994	2.5
63.47508	1.6
64.71281	2.2
66.72523	1.8
67.05434	14.7
69.03339	8.5
69.06980	4.7
71.04888	2.0
71.08114	1.7
73.26328	2.0
79.05392	10.0
81.03356	6.2
81.06974	14.7
83.04881	8.6
83.08547	2.6
85.02815	2.3
85.10088	1.9
91.05401	20.7
93.06965	12.7
95.04886	8.9
95.08554	8.0
97.06462	2.2
99.04357	10.7
105.06985	20.7
107.04913	4.0
107.08545	13.0
109.06435	2.2
109.10092	4.8
111.07978	2.9
115.05376	2.5
117.06956	4.1
119.08567	20.5
121.06470	11.7
125.09547	4.1
128.06152	2.6
129.06952	2.4
131.08601	2.9
132.05666	10.8
133.10066	11.2
135.08003	9.2
137.09656	3.7
141.06996	8.2
142.07774	3.0
143.08539	2.4
145.06438	9.8
146.07246	16.6
147.08017	100.0
149.09615	4.1
153.06932	2.5
158.07289	3.7
159.08008	18.8
160.08641	2.4
161.09576	50.6
165.06941	3.4
165.12700	10.0
167.08617	3.0
169.10072	3.0
170.07167	5.1
171.08014	2.9
172.08598	2.3
173.09590	10.4
175.11131	2.6
177.97099	2.1
184.08702	3.0
185.09576	21.5
187.11136	4.9
196.08701	2.6
197.09570	12.6
199.11137	4.4
205.10124	3.5
208.08733	3.9
209.09477	3.6
210.10400	3.0
211.11136	18.3
213.09091	10.5
213.12740	3.7
220.08833	2.2
221.09692	3.2
223.11169	26.7
225.12724	18.9
235.11102	2.7
237.12686	8.3
239.14235	2.4
247.11217	2.8
251.14304	3.6
253.15781	2.9
262.13516	9.4
265.12155	2.7
267.17319	14.1
277.15833	3.9
277.21573	8.9
295.16965	18.2
295.22510	18.7
313.11945	2.6
313.17947	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	313.1796
Annotation	2beta-Hydroxyjatropholone
Peak:m/z	Relative Intensity
50.26647	1.1
53.00231	1.3
53.03891	1.3
54.52129	1.1
55.01812	15.0
55.05455	15.3
56.96510	1.4
57.03369	2.4
57.07010	10.7
67.05430	12.7
69.00553	1.2
69.03339	9.4
69.06998	14.7
71.08542	3.4
76.56514	1.5
79.05409	14.4
81.06978	14.3
83.04871	3.6
83.08533	6.2
85.06457	2.6
91.05399	13.6
92.10873	1.9
93.06964	9.8
95.04878	6.3
95.08526	12.0
97.06455	2.7
97.10110	2.2
99.04375	2.0
105.06967	17.3
107.04172	1.3
107.04884	1.6
107.08520	9.4
109.06452	6.3
109.10118	2.9
111.08022	5.8
117.06961	9.0
119.08537	58.4
121.06455	2.1
121.10096	6.9
123.08012	3.2
128.06166	2.3
129.06949	9.1
130.07715	1.6
131.08524	19.5
133.10103	27.6
134.99588	1.5
139.11165	8.0
141.06973	5.9
142.07742	5.9
143.08545	11.8
144.09377	1.7
145.06450	2.2
145.10098	15.7
147.08067	6.7
147.11607	2.7
149.09589	1.3
153.07005	1.9
154.07835	2.5
155.08533	8.5
156.09317	10.8
157.06427	1.9
157.10120	10.4
158.07239	3.1
159.08034	3.1
159.11664	7.8
161.09592	7.5
165.06891	2.7
167.08527	8.6
168.09306	3.0
169.06372	1.8
169.10106	15.2
170.10876	3.2
171.08035	6.7
171.11642	17.4
172.08806	2.6
173.09636	11.4
173.13235	9.9
175.11205	1.9
177.83701	1.5
179.10683	2.1
180.09315	3.0
181.10085	9.9
182.10876	3.1
183.08022	7.3
183.11688	6.5
184.08809	3.2
185.05928	2.8
185.09581	9.8
185.13211	2.9
187.11140	2.9
193.10170	2.5
194.10938	1.7
195.08020	5.7
195.11649	15.1
196.12462	6.3
197.09573	14.1
197.13235	9.7
198.10349	9.0
199.11078	2.8
205.10175	2.9
209.09586	7.5
209.13266	6.4
210.10304	5.4
210.14029	3.0
211.11237	6.8
213.09151	3.1
213.12709	6.7
215.10687	3.1
215.14227	2.1
219.11696	5.8
222.10417	2.0
223.11151	17.3
224.08327	1.6
224.11960	1.7
224.15471	2.2
225.08945	1.6
225.12727	3.2
225.16415	11.0
226.09853	3.3
237.12730	8.4
239.17859	3.2
241.12172	25.2
243.17386	3.4
249.16298	3.3
252.14989	5.5
253.15807	8.5
255.13872	1.9
262.13400	2.3
265.12250	3.0
267.17386	6.6
271.16891	9.3
277.21600	3.3
295.16763	10.4
295.22620	2.5
313.17914	100.0
313.27078	2.1
314.18173	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2369
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03874	3.4
55.01810	20.4
55.05449	79.5
56.96499	5.0
57.03362	7.0
57.06996	11.2
59.47770	2.2
60.64175	2.3
65.03835	2.7
67.05079	3.5
67.05425	100.0
69.03327	5.4
69.06981	42.5
71.04900	5.3
71.08530	17.0
72.81502	2.7
74.31286	2.6
79.05405	57.8
81.03320	5.5
81.06972	88.1
83.04884	17.9
83.08538	29.5
85.06498	3.3
90.69038	3.1
91.05399	41.2
91.17797	3.2
93.06436	3.5
93.06976	59.0
94.67442	2.5
95.04882	14.4
95.08503	41.8
97.06438	14.2
97.10101	11.7
99.08016	13.0
100.72414	2.9
105.06975	32.5
106.23857	2.7
107.08541	33.5
109.06416	6.5
109.10094	31.9
111.07989	5.7
112.50458	2.8
116.98547	4.5
117.06965	4.7
119.08539	25.8
121.10095	24.9
123.11666	6.2
125.09561	5.6
128.88785	2.7
131.08514	4.1
133.10086	16.5
134.99638	11.9
135.11636	12.4
137.09605	4.4
139.11151	5.3
145.10130	3.4
147.11632	18.6
149.13173	6.1
150.21417	3.0
151.11130	6.8
153.00676	4.2
161.01196	4.5
165.12692	15.4
195.13797	4.7
259.20493	5.6
277.21503	34.8
286.06277	3.1
295.22662	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	313.2369
Annotation	(7S,8S)-DiHODE
Peak:m/z	Relative Intensity
50.85013	2.5
53.03873	3.5
55.01804	18.3
55.05451	57.6
55.36118	3.0
57.07000	3.6
67.05423	65.0
69.03349	3.5
69.06988	53.4
79.05404	54.8
81.03296	3.9
81.06974	86.7
83.04875	5.6
83.08544	36.7
91.05402	45.3
93.06968	100.0
95.04900	7.7
95.08524	57.1
97.06447	13.2
105.06973	46.9
105.49789	3.3
107.08526	42.5
109.06429	5.0
109.10110	17.3
111.08003	6.1
119.08489	25.2
121.10070	28.1
123.08018	7.4
129.09021	4.7
131.08527	7.5
133.10059	19.7
135.11652	23.4
139.11153	3.3
145.10114	5.5
147.11667	15.5
149.13214	15.0
151.11156	3.8
161.13258	4.3
165.12738	5.9
166.13097	3.7
171.11586	6.5
262.03735	3.5
277.21524	42.0
292.37747	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	313.237
Annotation	(7S,8S)-DiHODE
Peak:m/z	Relative Intensity
55.01798	36.5
55.05446	87.1
55.13330	5.5
56.96494	27.0
57.03378	10.1
57.06998	8.8
64.87084	5.9
67.05418	72.6
69.03321	8.7
69.06979	48.8
69.52296	6.8
70.65343	5.4
71.08540	59.5
73.11650	5.6
79.05398	60.9
81.06963	100.0
83.04872	25.7
83.08525	38.4
91.05396	43.3
93.06958	66.6
95.04883	10.3
95.08530	61.4
97.06422	15.1
99.08031	28.5
105.06970	44.5
107.04895	7.9
107.08534	27.1
109.06470	8.7
109.10094	13.3
111.08048	16.2
117.06998	8.0
117.93562	6.1
119.08484	16.0
121.10058	32.0
123.07997	7.6
133.10066	33.6
135.11557	7.5
144.07368	5.8
147.11665	11.9
149.13245	7.0
151.11139	16.2
159.11641	7.9
161.01166	14.7
161.13249	11.1
163.11066	8.2
165.12804	21.4
259.20596	9.2
275.41513	7.3
277.21570	71.5
295.22446	29.6
302.78757	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.237
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
52.39699	1.5
53.03883	4.0
55.01809	6.8
55.05453	32.5
56.96498	8.0
57.03374	4.5
57.07018	8.4
67.05426	54.4
69.06987	28.3
71.04910	7.8
71.08545	28.5
79.05405	31.3
81.03342	21.6
81.06973	37.3
83.04910	15.8
83.08547	2.3
85.02826	2.6
85.06452	2.0
91.05407	21.2
93.06963	39.9
95.04889	17.8
95.08528	45.6
97.06458	8.2
97.10107	8.4
98.97481	2.2
99.04427	1.9
99.08022	16.5
105.06973	9.8
107.08538	17.8
108.22335	1.8
109.06484	3.0
109.10098	22.2
117.06950	2.4
119.08529	11.9
121.10086	12.8
123.11703	2.1
127.11141	2.4
127.82568	1.7
133.10078	3.3
134.99664	3.6
135.11674	3.7
137.09602	11.5
139.11163	2.5
147.08025	7.6
147.11650	6.8
149.13278	3.0
151.11169	23.0
155.31552	2.0
161.01146	3.5
161.09616	3.0
179.14330	2.6
191.14188	1.9
207.52496	1.9
217.24843	2.2
221.15218	2.4
231.21013	2.3
277.21582	44.3
295.22598	100.0
334.75940	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2368
Annotation	(8E,10S,12Z)-10-Hydroperoxyoctadeca-8,12-dienoate
Peak:m/z	Relative Intensity
50.52741	0.7
53.00241	1.0
55.05450	26.0
57.03375	10.1
57.07011	25.6
59.04925	1.2
67.05424	11.4
69.06985	33.8
71.04910	2.1
71.08543	36.6
73.06472	1.2
75.17644	0.8
79.05399	9.5
81.06978	17.8
83.04889	6.2
83.08533	4.5
85.02831	5.5
85.06449	1.3
85.10100	6.5
87.04376	5.8
91.05415	1.2
92.10228	4.3
92.63894	1.2
93.06976	19.0
95.08528	14.3
97.06470	9.7
97.10095	10.3
99.08012	22.2
101.63384	1.0
105.06904	1.1
109.10136	2.1
111.11654	2.1
121.10088	8.4
139.11159	13.2
157.12206	100.0
158.12599	1.2
197.15324	1.6
200.29260	1.1
266.62112	1.0
313.23819	3.0
313.27274	30.0
331.82712	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2371
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.00246	3.8
55.05441	27.4
56.96497	3.7
57.03363	18.7
57.07010	62.0
58.50613	2.4
58.81946	2.8
61.98058	2.7
67.05412	32.6
69.06990	29.6
71.04903	6.0
71.08544	41.1
79.05404	16.5
79.36021	2.6
81.06976	44.4
83.08530	17.9
85.02341	5.2
85.02821	100.0
85.10095	16.1
93.06950	15.4
95.04851	4.6
95.08529	36.4
97.06451	13.4
97.10095	4.5
97.90873	3.4
105.06989	4.7
106.94614	2.8
107.08543	5.5
109.10104	11.4
114.09232	2.9
118.95837	3.3
119.08518	4.8
121.10091	18.4
123.11704	3.0
135.11652	3.6
139.11116	4.8
147.11612	3.6
157.12202	26.6
161.01173	3.7
161.13216	4.2
179.14214	5.1
197.15291	3.8
225.14677	4.8
244.68095	2.9
295.22659	27.6
313.23621	5.7
313.27216	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	313.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	23.9
57.03371	29.6
57.07011	100.0
58.06527	3.9
58.56040	1.7
60.08107	4.0
64.00840	1.8
64.33260	1.9
65.06988	2.0
67.05420	35.6
69.06995	16.1
71.08540	55.2
79.05404	3.5
81.06968	28.5
83.08543	17.0
85.10109	26.4
86.09621	11.1
86.33200	2.3
91.05413	3.1
92.10874	7.6
93.06947	4.1
95.08522	29.9
97.10113	3.2
103.07472	2.3
104.10676	49.9
109.10117	11.7
110.87711	2.3
123.11652	3.4
130.54059	15.4
133.03436	3.7
149.54929	4.2
156.97441	4.7
157.97722	2.3
158.55367	26.0
159.05437	9.1
159.55185	4.7
165.65150	2.4
174.98518	9.0
184.12032	2.0
201.00035	5.3
212.99965	2.1
213.32732	2.2
239.01616	2.8
239.67960	2.2
240.09918	3.2
242.06326	2.8
257.24728	2.8
271.65808	2.9
293.29346	2.2
313.23672	3.0
313.27292	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	15.5
57.03365	28.3
57.06737	3.6
57.07006	83.8
61.56574	1.7
67.05418	20.3
69.06986	17.4
71.08545	44.0
79.05386	2.9
81.06973	19.3
83.08526	12.5
85.10104	25.5
86.79248	2.1
87.73825	2.3
88.48488	1.9
88.72961	2.1
89.05937	2.0
95.08517	27.7
97.10088	3.5
100.01642	2.0
109.10087	9.6
111.08040	2.4
133.85947	2.0
136.30977	2.6
137.76762	2.0
144.75209	1.9
164.52861	2.0
205.76564	2.2
278.21960	3.3
313.23721	5.9
313.27292	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14460	0.5
55.05441	1.2
56.96497	13.9
57.06966	0.5
61.86103	0.5
61.93641	0.5
63.73580	0.6
64.71307	0.5
67.05435	0.8
69.03342	0.9
70.06508	9.0
72.08064	4.3
78.85989	0.6
79.05402	0.9
79.18611	0.6
81.06986	1.2
83.08562	1.2
84.04421	1.3
84.08062	4.8
84.95995	0.8
85.02812	1.0
86.09631	4.9
87.04400	0.7
91.05415	1.2
92.10286	0.9
93.06983	0.9
95.04917	0.7
95.08545	0.8
97.02817	0.7
98.97508	2.7
100.11170	1.5
103.05397	1.0
105.06984	2.6
107.04894	4.4
107.08556	0.9
110.07125	3.5
116.07033	0.8
116.98545	4.1
120.08051	5.7
123.07902	0.8
129.10211	1.3
134.99643	2.7
135.04390	0.7
137.05930	1.1
143.16310	0.6
153.02306	0.8
157.01689	1.4
159.03236	4.6
162.03049	4.8
162.22273	0.6
163.03896	3.8
165.06818	0.6
171.03229	7.8
175.02727	9.8
177.00688	1.3
177.04268	2.9
179.03362	0.9
180.12517	0.6
183.03325	0.8
185.04808	2.4
187.02782	3.8
189.04279	5.4
190.02591	5.7
193.03812	14.5
194.07243	0.8
195.03127	6.2
201.04236	1.3
205.03790	3.1
207.02856	1.4
208.03703	4.0
213.04291	38.0
223.05963	26.8
231.05347	100.0
232.05746	1.3
233.97556	0.7
235.07108	0.6
236.05887	0.9
249.06396	60.2
250.06706	1.1
254.06796	4.5
265.08478	1.0
272.07904	1.2
291.07364	1.5
297.09454	6.6
314.06613	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	314.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	0.3
55.01807	3.8
55.05444	0.5
56.96500	0.4
57.03378	0.3
60.04430	0.4
67.40771	0.3
69.06960	0.4
70.02889	0.3
70.06508	7.3
72.08062	1.7
79.05410	9.4
84.04420	1.6
84.08067	3.7
85.02835	0.4
86.09628	4.1
87.96375	0.3
88.03909	2.7
90.00740	0.3
90.04647	0.4
91.05405	3.2
95.04890	1.8
97.02757	0.3
98.97522	0.7
103.05405	10.8
105.06971	87.1
106.07260	0.6
107.04881	0.6
110.07110	4.2
115.05405	19.3
116.98557	0.5
118.04112	7.6
118.04904	0.6
120.08050	1.3
121.01012	0.8
127.15193	0.4
129.10193	1.4
131.04935	3.1
132.05688	0.6
133.06453	82.0
134.06836	0.3
143.04875	1.4
143.06015	5.3
146.06018	0.4
149.00545	1.6
149.05904	0.3
161.05940	100.0
162.06302	1.6
164.99965	0.5
166.00764	0.3
192.99557	0.8
193.08559	37.3
194.00264	4.4
194.08910	0.7
209.02655	8.7
254.58037	0.3
284.91797	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2111
Annotation	Spiradine B
Peak:m/z	Relative Intensity
55.05446	7.9
56.96490	6.4
58.06528	1.8
67.05429	1.4
69.06988	11.4
70.06512	1.7
72.04427	5.9
72.08057	6.5
79.05418	2.5
81.06940	3.5
82.06492	3.3
83.04914	1.6
83.08526	6.7
84.08051	1.6
86.09601	2.5
91.05367	2.0
93.06960	1.9
95.08515	2.2
96.08067	5.8
97.06444	1.9
98.97486	3.0
100.07542	26.5
105.06969	2.5
107.08534	1.6
109.10077	2.2
116.98586	11.6
118.00928	1.6
119.08524	5.3
122.09663	2.0
128.10495	1.5
129.06956	1.5
134.99586	12.7
143.08540	2.0
145.06448	2.7
145.10144	1.6
145.76849	1.3
147.08028	18.4
149.09605	1.6
155.08492	2.3
156.09349	2.6
158.07280	2.5
159.08002	5.8
161.09584	1.9
165.11400	1.6
168.09381	1.3
169.10063	1.8
171.08006	3.4
171.11737	1.9
173.09570	12.9
180.98122	1.5
181.10133	3.2
183.07973	5.8
183.11658	6.5
183.95720	1.4
184.08774	14.3
185.09605	9.3
186.10318	1.6
187.11148	6.5
193.10091	1.9
195.08018	2.2
196.08835	1.7
197.09572	6.2
198.10361	7.3
199.11156	25.1
201.12799	1.4
209.09583	2.8
210.13863	1.7
211.11119	13.4
212.11925	2.8
213.12669	3.0
223.11086	6.7
224.11902	2.0
225.12668	2.6
225.16383	6.0
226.13507	3.0
227.14200	3.2
229.12155	1.9
235.11035	3.3
237.12767	2.7
238.13449	2.8
241.15805	15.3
250.13542	2.0
253.15807	34.2
268.94202	3.2
271.16779	14.0
279.17361	2.9
296.19928	6.5
297.18741	1.6
314.21072	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05457	9.7
56.96493	4.7
67.05410	8.8
69.03339	2.7
69.06976	11.5
70.06503	2.3
71.04895	3.1
72.04435	4.8
72.08062	3.6
79.05407	4.4
81.06965	4.8
83.08536	5.6
86.09631	3.5
91.05392	13.4
93.06982	5.2
95.08527	4.7
98.97488	11.6
100.07517	13.5
103.05448	2.7
105.06963	10.4
107.04917	3.1
107.08545	4.3
108.08051	2.2
109.06447	3.3
109.10098	10.0
116.98547	19.5
117.06953	4.4
119.08526	27.0
121.06480	4.9
121.10116	3.4
123.04348	4.6
123.08028	3.8
128.06212	3.3
128.10638	2.7
129.06929	4.3
130.58937	2.5
131.04906	3.7
131.08507	5.6
132.05676	10.7
133.10098	4.1
134.09668	3.5
134.99582	11.8
135.08046	2.3
143.08554	8.8
145.06462	4.2
145.10083	5.8
147.08014	100.0
153.00609	3.4
155.08536	2.5
157.10072	5.4
158.07262	4.2
159.08011	8.8
161.09589	13.4
168.13818	3.9
169.10222	2.7
171.08028	5.5
171.11612	4.4
172.08839	4.3
173.09592	31.5
181.10214	3.0
183.07927	2.8
183.11655	3.4
184.08774	5.4
184.81601	2.8
185.09613	11.6
187.11040	10.8
197.09549	4.6
198.10268	3.0
199.11153	19.0
201.12729	5.7
211.11211	4.7
213.12683	10.2
241.15869	3.9
253.15811	12.0
258.93045	2.7
268.94089	5.7
271.16858	3.4
279.17404	3.0
286.21609	4.6
314.21054	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14391	1.4
55.05450	2.0
57.07011	37.4
58.06535	2.2
59.82036	1.5
62.06017	13.6
71.08549	11.5
85.10070	2.4
111.09642	1.6
140.05450	1.6
146.09619	6.8
260.22272	2.0
286.30954	4.0
294.53091	2.1
296.29486	1.9
296.33032	8.1
314.34079	100.0
320.09152	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00243	0.8
55.05454	0.9
56.83747	0.5
56.96487	0.8
57.06737	0.8
57.07009	20.2
58.06521	2.5
62.06007	4.7
67.05416	1.0
69.06994	0.7
71.08553	6.8
72.08067	1.5
79.05404	0.7
81.07025	0.6
85.10093	1.1
95.08512	1.3
100.07552	0.8
109.10101	0.7
114.36300	0.6
116.98557	0.8
149.01198	0.8
156.17473	3.0
167.02101	0.8
174.18472	8.6
184.20558	2.8
202.21631	7.7
230.24696	0.8
296.29575	1.3
296.32965	0.9
303.60388	0.6
314.34091	100.0
315.34390	2.5
335.74265	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1587
Annotation	(-)-(aS,9S,9'S)-Alnusdiol
Peak:m/z	Relative Intensity
55.01838	0.7
55.05445	1.1
66.33162	0.6
67.05431	1.7
69.03351	1.1
69.06997	1.3
70.10638	0.6
79.05360	0.7
80.31303	0.7
81.06973	0.8
92.96380	0.7
93.06986	1.1
98.97489	1.6
105.07000	1.0
114.36452	0.9
116.98561	3.2
121.06459	1.9
134.99631	1.1
135.08073	1.1
145.10100	1.0
147.08029	1.4
149.05946	1.6
152.53635	0.9
158.07248	1.6
160.08775	1.1
161.09514	0.9
167.25404	0.8
172.08829	1.2
172.95264	0.7
173.09622	1.6
175.11105	4.5
185.09506	1.5
188.08304	4.6
197.09621	3.6
199.11122	1.6
201.09079	12.8
203.07027	1.2
203.10660	6.2
209.09637	1.3
211.11156	4.3
212.11800	1.8
213.08989	1.4
213.12627	1.0
215.10715	1.3
216.07689	6.1
223.10971	5.5
224.11884	1.2
225.09085	8.3
227.10699	2.7
227.14252	4.4
229.08754	1.2
231.10103	100.0
232.10422	1.2
236.11870	1.3
237.12653	3.2
239.10619	8.4
240.11401	8.7
251.14201	1.8
254.13002	3.6
255.13722	23.2
257.11636	15.7
269.15253	5.1
279.13596	1.3
281.51929	0.9
282.12439	4.3
297.14764	12.8
300.13519	1.7
315.15802	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	315.1927
Annotation	E-64c
Peak:m/z	Relative Intensity
55.05449	1.9
57.03377	1.3
57.06999	1.6
65.47576	1.4
66.72167	1.5
67.05408	2.9
69.07007	1.5
81.06947	2.3
95.08498	2.9
96.87148	1.6
107.41432	1.6
116.98467	1.6
129.27626	1.8
142.35887	1.6
182.54718	1.6
199.86432	1.9
236.76744	2.0
242.67310	1.8
268.76465	1.8
290.50693	1.7
315.19223	100.0
316.19516	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	315.195
Annotation	all-trans-4-Oxoretinoic acid
Peak:m/z	Relative Intensity
52.90485	0.5
54.06352	0.4
55.01793	0.9
55.05436	2.9
65.27305	0.4
67.05428	1.1
67.40244	0.5
69.03345	0.9
69.06983	11.1
79.05407	0.9
81.06954	0.9
83.04896	0.7
83.08534	1.0
91.05405	14.0
95.08525	1.1
97.06441	1.1
99.59840	0.4
101.05936	0.7
105.06957	3.1
107.04879	3.9
107.08519	0.8
109.10091	3.3
111.08038	0.8
117.06931	4.1
119.08528	25.1
120.08886	0.7
121.06445	2.6
121.10046	0.8
123.11676	0.8
125.09573	2.8
128.06152	2.6
129.06946	4.3
131.04881	0.5
131.08528	0.6
132.05661	13.3
133.10132	0.6
135.08055	0.7
139.11180	0.5
141.06921	0.7
142.07761	0.5
143.08475	0.9
145.06458	6.7
145.10089	1.0
146.07251	1.1
147.08017	100.0
148.08435	1.9
149.09586	2.6
155.08502	0.7
156.09294	0.8
158.07224	2.7
159.08005	5.8
161.09607	3.5
163.07495	2.4
163.11139	0.8
165.06972	0.5
169.10057	0.7
170.07207	1.2
171.08037	3.7
171.11708	0.6
172.08780	1.0
173.09602	7.4
181.10132	0.7
183.08022	0.6
184.08797	4.1
185.09610	6.1
187.11116	2.5
189.09059	0.6
196.08862	0.8
197.09572	2.5
198.10332	2.2
199.11116	10.7
200.11700	0.5
201.12711	2.0
209.09543	1.2
210.10457	1.0
211.11142	2.2
212.12045	0.6
213.12680	5.5
215.14282	0.6
221.09573	0.7
223.11128	1.9
225.12703	2.4
227.14258	2.5
235.11229	0.9
237.12764	0.7
239.14375	0.7
241.15791	3.5
250.13275	0.5
255.17429	0.8
269.18991	2.0
279.17377	4.1
282.67282	0.5
297.06348	0.5
297.18369	5.7
315.19565	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72593	0.9
54.81602	1.0
55.05446	4.2
56.96491	5.4
58.23537	0.9
60.05561	1.0
66.89323	0.9
67.05433	2.4
69.06982	1.5
77.72780	0.9
79.05386	2.0
81.06979	5.7
83.04890	1.3
91.05379	4.3
93.06944	3.5
95.08520	4.0
98.97490	13.7
102.84039	1.1
105.06968	100.0
106.43734	1.0
107.08505	2.3
109.06451	10.4
109.10094	4.0
111.08092	1.4
116.98550	18.4
119.08528	8.3
121.10108	2.3
123.08018	1.7
127.51114	1.0
131.08542	9.0
133.10123	1.2
134.99611	18.4
137.09586	4.2
138.61984	1.1
142.07710	1.3
143.08502	4.7
145.10077	24.5
147.11694	1.5
149.09579	5.6
153.00632	5.5
155.08499	2.0
157.10097	2.5
159.08124	1.3
159.11667	8.1
167.08472	1.3
169.10051	2.3
180.09317	1.2
181.10103	2.0
183.11646	1.7
190.95413	1.1
195.11687	5.0
199.11148	1.6
209.13156	1.3
213.16391	2.3
237.16405	12.7
250.93024	1.1
254.16187	2.3
255.17358	36.1
268.94077	8.2
274.97449	5.4
279.17310	1.4
292.98422	9.0
297.18423	1.6
315.21326	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	315.1952
Annotation	all-trans-4-Oxoretinoic acid
Peak:m/z	Relative Intensity
50.41049	0.4
55.01805	0.9
55.05447	2.9
56.15364	0.4
67.05421	3.0
69.03351	0.9
69.06983	7.9
72.27764	0.5
79.05396	1.1
81.06976	2.5
83.04883	0.6
83.08529	2.5
91.05406	13.3
93.06977	1.2
95.08524	2.2
97.06459	0.9
105.06984	3.3
107.04903	3.7
107.08510	1.2
109.10117	3.6
111.08078	0.7
111.68172	0.5
115.05423	0.7
117.06964	4.5
119.07677	0.9
119.08535	23.6
121.06458	2.3
121.10133	0.8
123.11643	0.8
125.09554	0.7
128.06155	1.2
129.06990	3.9
131.04887	0.7
131.08534	0.7
132.05675	12.1
133.10056	0.7
135.08006	1.1
139.11200	0.6
141.06975	0.9
143.08542	1.0
145.06483	6.2
145.10123	1.1
146.07213	1.0
147.08023	100.0
148.08368	0.8
149.09583	2.1
153.06871	0.5
155.08496	0.7
157.10071	0.8
158.07202	3.0
159.08003	5.0
161.09575	3.0
163.07498	3.5
163.11073	0.6
166.22716	0.6
169.06573	0.5
171.08008	3.3
171.11687	0.6
172.08833	2.2
173.09581	8.7
175.11134	0.7
181.09990	0.7
184.08812	5.7
185.09572	6.5
187.11105	2.5
195.07961	0.9
197.09550	2.1
198.10371	2.7
199.11125	9.4
201.12767	2.5
209.09647	0.6
210.10397	0.6
211.11156	3.6
213.12697	4.7
221.09576	0.7
222.10295	0.8
223.11174	1.1
225.12756	1.3
226.34952	0.6
227.14224	1.1
235.11160	1.1
237.12611	1.1
239.14281	0.7
241.15791	2.5
249.12762	0.8
253.15886	1.9
255.17253	1.0
264.15103	0.7
269.18976	0.8
279.17297	3.6
293.53201	0.7
297.18451	4.5
315.19662	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1954
Annotation	Crotonkinensin B
Peak:m/z	Relative Intensity
53.00261	5.0
54.42163	4.9
55.01814	7.1
55.05449	14.5
56.96487	29.0
57.03380	4.9
57.07010	11.6
61.10621	5.1
67.05417	25.2
68.05764	6.7
69.06985	12.2
71.08537	7.6
79.05422	7.3
81.06966	29.4
83.08496	7.1
91.05388	26.0
93.06962	30.8
95.04896	5.8
95.08503	44.1
97.06488	6.1
98.97500	48.8
105.06956	33.7
107.08519	25.5
109.10085	8.7
111.08006	6.3
116.98564	100.0
117.06944	8.0
119.08512	38.6
121.10095	7.6
123.07994	52.7
131.08510	13.8
133.10086	14.5
134.99638	84.1
135.07994	6.7
142.07809	12.9
143.08572	12.2
145.10095	9.6
147.08000	77.8
153.00667	25.8
155.08553	12.4
157.10107	26.6
158.07184	5.8
167.08476	6.4
169.10051	23.9
171.11613	7.5
173.09541	9.0
175.11159	11.2
183.11623	10.9
185.09624	8.4
185.13202	7.5
193.10037	8.9
195.11662	13.5
197.09723	9.4
197.13300	7.3
199.11076	6.9
213.12700	11.7
245.38660	7.7
250.93088	8.6
250.97166	7.5
255.17285	13.5
268.94061	35.5
274.97501	11.8
279.17496	8.4
286.95078	7.2
292.98453	43.4
297.18436	76.8
315.19458	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2527
Annotation	9,10-DHOME
Peak:m/z	Relative Intensity
51.83482	1.4
52.79766	1.5
53.00233	2.7
53.03871	1.9
55.01827	2.5
55.05452	20.9
56.96481	5.6
57.03362	6.2
57.07010	16.8
64.52061	1.4
65.03879	2.1
67.05426	83.6
69.06985	25.0
71.04899	1.9
71.08543	29.5
72.03825	1.4
79.05409	22.2
81.06971	100.0
83.04906	3.3
83.08540	10.7
85.06474	2.8
85.10104	17.4
91.05408	23.7
92.16991	1.4
93.06967	23.6
95.04878	1.4
95.07962	3.0
95.08532	68.5
96.08867	2.0
97.06449	3.7
97.10120	1.8
98.97517	10.4
99.08004	12.2
102.42079	1.5
105.06976	14.2
106.07270	1.8
107.08547	18.0
108.08839	1.9
109.10098	18.9
109.19672	1.5
113.09595	18.6
116.98551	11.9
117.06943	2.5
119.08532	11.5
121.10100	10.8
123.11655	8.9
131.08490	3.5
131.10640	2.5
133.10092	11.4
134.99634	13.3
135.07999	2.1
135.11668	5.9
137.13184	5.5
145.10120	2.0
147.08031	2.8
147.11639	11.1
148.08363	2.3
149.08658	1.9
149.13240	6.4
151.11140	1.8
151.14734	1.5
153.12657	1.9
159.11635	2.8
163.14822	6.0
167.14308	2.5
168.54774	1.6
172.67441	1.7
173.13232	2.3
181.15726	1.7
243.21002	2.9
245.12860	1.5
250.92787	2.0
261.22073	3.8
268.94037	3.0
274.97433	1.9
279.23114	37.6
292.98444	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	315.2528
Annotation	9,10-DHOME
Peak:m/z	Relative Intensity
55.05458	20.5
55.29609	1.7
56.23184	1.8
56.96490	4.4
57.07000	12.7
67.05082	3.7
67.05424	89.2
69.06987	25.4
71.04907	3.8
71.08545	19.3
74.72169	1.6
79.05408	18.9
81.06973	100.0
83.04872	2.9
83.08521	12.7
85.06459	2.6
85.10088	10.1
87.79688	1.8
91.05400	15.6
93.06510	1.9
93.06980	29.2
95.07961	3.6
95.08529	74.1
97.06458	3.0
97.10076	2.8
98.19094	1.7
98.97490	13.7
99.08001	11.4
105.06982	16.1
107.08508	12.0
109.10106	21.2
111.08038	2.4
113.09571	8.3
115.67099	2.0
116.98544	21.8
117.06995	3.4
119.08555	13.4
121.06407	1.9
121.10078	11.3
123.11662	7.6
131.08484	9.3
133.06432	6.8
133.10057	9.2
134.99597	16.2
135.08014	2.8
135.11678	4.3
137.13188	8.6
145.10152	3.2
147.07980	3.9
147.11646	11.6
149.13211	3.2
153.00681	3.2
159.11626	3.3
161.13242	4.2
163.11124	2.7
163.14761	2.0
173.13260	2.2
181.09003	1.8
195.13692	2.9
218.91739	2.5
243.21051	3.0
261.21976	2.5
268.94043	7.6
274.97415	3.5
279.23071	36.6
286.95148	2.2
292.98593	2.7
323.02148	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2229
Annotation	H-LEU-LEU-ALA-OH
Peak:m/z	Relative Intensity
56.04955	0.3
56.96494	1.6
58.43419	0.3
67.05437	0.4
69.03336	0.5
69.06984	1.2
70.06519	2.1
72.08071	0.6
73.44507	0.3
81.06982	0.4
84.04424	1.5
84.08067	1.6
85.02860	0.4
86.09625	100.0
91.05384	0.6
92.10186	0.3
95.08519	0.4
98.97512	3.0
99.10722	0.3
103.05363	0.4
105.06968	1.4
107.08556	0.5
110.07147	0.7
116.98544	3.2
117.07011	0.3
120.08049	0.7
131.04895	0.5
132.10178	3.0
133.06500	0.3
134.99615	3.4
135.98062	0.4
137.05960	1.4
145.03148	0.3
146.99609	0.5
153.00716	0.6
157.13336	24.9
158.99625	0.6
177.00725	0.5
181.54843	0.3
185.12810	10.7
214.41554	0.3
219.01688	0.4
224.54651	0.3
231.05426	0.6
245.18663	1.6
274.97427	1.2
292.98495	1.3
316.08417	0.3
317.81265	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.223
Annotation	H-LEU-LEU-ALA-OH
Peak:m/z	Relative Intensity
53.30878	0.2
55.05449	4.0
56.04962	1.3
56.49957	0.2
56.96493	0.4
57.03362	0.3
57.05757	0.3
60.04161	0.4
60.04453	8.2
69.03323	0.3
69.06989	6.3
70.02885	0.3
70.06503	27.8
71.06833	0.3
72.08064	49.1
83.06033	0.4
84.04430	2.8
84.08060	7.3
85.02856	1.0
86.09621	100.0
87.05497	3.6
87.09952	0.5
90.05488	0.3
91.05395	0.3
97.02803	0.3
97.07455	0.3
98.97512	0.6
102.05524	0.4
107.04848	0.4
108.08076	1.2
109.06375	0.3
110.07121	2.6
112.08660	0.3
116.07034	30.9
120.08088	0.5
122.36205	0.3
123.02922	0.2
124.07543	0.4
126.05457	0.3
126.09095	0.3
128.10675	3.3
129.10191	3.0
131.04910	0.3
136.07555	1.3
137.06018	0.9
149.05916	0.2
154.08557	2.9
167.06940	0.3
171.14876	6.3
173.12816	15.2
199.14362	4.7
199.17996	8.2
201.12312	2.5
203.13884	2.9
214.14340	0.4
217.15465	1.5
227.17474	5.4
234.25755	0.3
235.07393	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2268
Annotation	Bremazocine
Peak:m/z	Relative Intensity
55.05439	2.4
57.07008	0.9
58.06533	3.5
59.04922	0.6
67.05433	1.1
69.06980	2.2
69.94060	0.5
70.06480	0.8
72.04414	0.9
72.08079	1.0
77.62842	0.4
81.06970	3.1
83.08534	1.1
84.04435	0.4
84.08046	0.6
85.06464	0.7
86.05984	2.3
91.05414	0.7
93.06963	3.1
95.08533	4.4
96.08054	1.8
98.97504	2.0
100.07548	4.1
105.06969	30.6
107.08537	3.3
108.08065	3.8
109.06497	0.7
109.10097	3.1
111.08016	0.6
116.98565	1.9
117.06950	0.6
119.08546	7.9
121.06467	7.8
121.10104	3.4
123.07983	0.7
123.11696	1.1
124.11224	0.8
131.08528	18.3
133.10104	4.0
134.99629	1.8
135.08018	1.1
135.11636	0.9
138.29669	0.4
143.08578	3.6
145.10086	11.5
147.08029	0.8
147.11668	1.0
150.12732	0.6
151.11198	0.6
155.08516	1.8
157.10086	11.3
159.11646	29.4
169.10078	3.3
171.11679	3.4
173.13187	3.1
175.11218	0.5
177.53979	0.5
183.11697	2.5
185.13191	2.9
187.14781	3.9
197.13196	2.0
199.14771	1.1
201.12677	0.8
208.62178	0.4
213.16371	2.8
231.17435	1.9
239.17896	4.1
253.19441	0.6
256.20560	1.9
257.18939	2.0
298.21613	4.5
299.19598	0.7
316.22635	100.0
317.22858	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	316.2842
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
52.89098	0.8
55.05451	8.6
56.04961	5.2
57.06992	1.1
60.04453	100.0
61.75483	0.8
62.25739	0.7
62.51492	0.7
67.05422	12.2
69.06977	8.3
72.04429	1.4
74.05972	1.2
77.20786	0.8
77.70959	0.9
79.05410	6.2
80.04898	1.5
81.06961	9.0
82.06526	0.9
83.08533	2.2
83.96284	0.9
91.05385	2.2
93.06966	4.8
94.06446	1.2
95.04940	1.1
95.08532	8.2
97.10078	1.2
105.06959	1.4
107.08548	1.1
109.10114	1.5
115.78525	0.8
121.06433	1.2
121.10079	2.0
135.11551	0.9
246.02258	1.1
246.51546	1.0
280.26318	7.1
298.27234	9.3
316.28387	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	316.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06736	1.2
57.07009	31.7
63.49159	0.8
70.06145	1.1
70.06506	30.2
71.08540	14.0
80.33727	0.8
83.08524	1.0
85.10107	9.0
88.07546	43.3
95.08550	0.9
106.08607	39.5
154.94070	1.2
172.95187	3.5
191.34526	0.8
269.86014	0.8
298.30948	1.4
316.32025	100.0
317.20975	1.6
317.32413	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02562	1.0
55.05444	1.4
56.04971	2.0
56.96491	1.9
60.04451	19.7
61.02863	1.1
61.62983	1.0
66.83761	1.0
67.05421	2.2
68.15034	1.1
69.03342	2.4
69.06973	4.7
70.06506	85.0
71.06828	10.0
71.14074	1.2
71.72459	1.1
72.08076	8.1
79.05427	1.2
84.04432	13.8
84.07595	1.7
84.08068	25.7
85.02811	5.3
86.09625	71.7
87.05510	9.1
87.09955	10.3
91.05357	1.7
92.10725	2.8
95.04924	1.8
97.02827	1.8
98.97516	1.9
99.04383	1.2
103.05320	1.7
109.06472	1.3
109.10114	2.3
110.07103	7.5
110.09633	1.7
112.64499	1.1
116.07036	69.1
116.98545	2.3
117.07378	8.6
117.48328	1.3
119.04936	1.1
120.08054	5.2
126.09212	1.1
128.10695	7.9
129.10182	12.1
129.11014	1.8
130.06499	2.3
134.99620	1.2
136.07568	1.5
137.05920	2.1
155.06738	11.6
157.09695	1.5
159.09175	1.6
161.45340	1.1
165.05434	1.5
165.85280	1.2
173.12813	28.7
174.13165	8.4
185.04201	9.4
201.12332	2.4
203.05180	6.0
214.14276	2.5
300.63242	1.4
316.18054	1.6
317.11993	100.0
325.80872	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66478	0.5
54.81489	0.7
55.05439	1.1
56.04979	0.5
56.14159	0.4
56.96494	0.8
57.03362	0.7
57.33311	0.5
62.28348	0.5
69.03339	0.9
69.06983	13.9
70.02859	2.6
70.06501	3.9
70.12095	0.6
72.08059	8.7
73.03934	0.8
74.05979	0.9
75.05515	5.5
81.06988	0.6
82.06497	0.8
83.06018	3.9
84.04420	15.0
84.08053	3.5
85.03944	5.5
86.09620	100.0
87.05510	11.5
88.03909	4.0
90.05479	6.5
94.06491	0.8
96.04421	1.4
96.08057	8.1
98.02338	10.9
98.97510	0.8
101.07117	0.7
102.05495	0.9
110.02344	3.7
110.07100	0.8
110.09613	4.0
111.80267	0.6
112.11202	0.6
112.85384	0.5
113.10722	4.4
116.06985	1.2
124.03901	2.6
129.06538	2.5
129.10165	0.8
130.04967	0.7
138.05452	0.9
138.09125	5.6
141.06520	1.4
141.10193	18.3
143.11772	3.2
148.05998	1.1
150.96936	0.6
152.03418	0.8
153.05472	2.4
155.11760	18.6
157.06105	0.8
164.02216	0.9
166.08586	4.0
169.05983	1.2
171.11285	0.8
183.11249	9.0
185.16415	0.8
186.08818	2.1
196.14384	1.5
197.12814	2.9
199.59317	0.6
200.13898	35.8
201.12257	0.6
203.13823	1.0
213.12279	1.2
225.12234	0.9
228.13393	8.7
243.13290	0.6
252.23227	0.6
276.07382	1.2
283.12717	2.3
293.89127	0.7
300.15408	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98265	0.4
55.01799	0.4
55.05436	1.8
57.07012	0.4
67.05403	0.6
69.03342	0.9
69.06982	0.5
72.84350	0.4
79.05378	1.7
81.06963	0.8
83.08527	0.8
83.12549	0.3
87.04308	0.4
88.07487	0.4
91.05401	11.4
92.10896	0.6
93.06957	0.7
95.08498	0.6
97.32999	0.4
103.05387	0.5
104.19069	0.4
105.06968	3.0
107.04904	4.0
107.08511	0.5
109.10097	1.7
117.06963	3.0
119.04942	0.4
119.08533	22.2
120.08736	0.5
121.06468	0.8
121.10089	1.8
128.06157	0.5
129.07008	3.0
131.08499	0.8
132.05663	12.3
133.10088	0.5
141.06918	0.6
141.24863	0.4
145.06422	1.8
145.10114	0.6
146.07201	1.0
147.08018	100.0
148.08354	0.9
149.09570	3.2
155.08546	0.6
158.07210	2.1
159.07968	2.6
161.09596	3.3
171.07968	0.6
172.08803	0.8
173.09601	3.6
184.08774	1.7
185.09613	0.8
187.11122	4.8
196.08778	0.7
197.09583	0.9
199.11124	2.6
201.12744	1.0
211.11137	6.5
225.12604	0.9
256.26282	0.8
266.16153	0.5
281.18948	2.6
299.20087	0.8
317.28070	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2109
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
52.83768	3.6
53.31019	3.3
53.80317	3.3
55.05445	9.9
56.96502	18.5
67.05428	20.6
69.06978	10.0
78.03082	4.0
79.05394	24.3
81.03294	4.9
81.06973	33.1
83.04913	5.5
84.04437	5.1
85.02840	6.6
91.05408	38.1
93.06964	36.8
95.04891	6.4
95.08533	27.9
97.06442	8.6
98.97520	28.2
103.05412	28.3
105.06974	100.0
107.04892	8.2
107.08523	27.2
109.06433	16.8
109.10155	17.0
116.98573	34.3
117.06969	18.5
119.08539	62.0
121.06443	10.0
121.10100	23.9
123.08006	7.4
128.66618	4.1
129.06940	23.7
131.04921	9.0
131.08521	56.0
133.06377	6.3
133.09142	4.5
133.10144	19.3
134.99635	26.5
135.07954	6.3
137.05963	5.5
137.09651	6.2
141.07072	5.5
143.08554	31.0
145.10095	36.1
146.99588	5.5
147.11676	10.4
149.09700	8.3
155.08511	21.1
157.10104	30.0
158.99591	4.6
159.11707	5.8
165.52408	22.2
169.10104	21.2
171.11674	17.5
173.13257	6.8
177.00662	8.5
181.10051	8.3
183.11575	13.7
185.13199	9.0
187.14827	5.4
197.13292	5.7
211.14772	7.5
218.55043	4.6
221.13217	4.9
263.17877	7.8
281.18933	17.6
299.20084	26.2
301.93140	4.3
305.45941	4.0
316.77737	4.6
317.13840	7.2
317.20984	21.6
327.94601	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	317.2109
Annotation	Mytatrienediol
Peak:m/z	Relative Intensity
50.17946	1.3
51.30330	1.3
54.82357	1.4
55.05455	3.8
57.04976	1.4
57.06993	8.8
58.70911	1.3
67.05424	15.2
69.06994	21.4
70.06511	15.0
71.04955	1.8
79.05392	9.1
81.06972	19.8
83.04887	2.2
83.08517	3.7
83.74254	1.6
85.02800	2.4
88.07536	19.7
90.37749	1.6
91.05399	6.5
93.06969	21.5
95.04900	2.8
95.05936	1.8
95.08527	10.2
97.06479	5.8
98.97532	3.6
100.59088	1.6
102.09103	10.5
102.09714	1.7
105.06975	17.1
107.08549	13.2
109.06455	8.5
109.10098	11.0
113.05878	1.6
116.98569	3.0
117.06958	2.4
119.08562	12.9
121.06456	100.0
121.10078	9.8
123.07993	4.0
123.11642	3.6
125.21455	1.5
131.08545	9.1
133.10086	3.1
134.99532	2.3
135.08025	36.7
137.09557	12.8
143.08556	2.6
145.10078	8.4
147.08003	14.1
147.11670	2.9
149.09624	2.0
154.94084	2.8
155.08463	2.7
157.10078	3.6
159.08044	3.4
159.11635	10.2
161.09563	9.7
161.13231	3.3
171.08000	3.7
172.95203	6.2
173.09648	2.3
173.13264	2.8
175.11166	6.2
177.08937	2.1
177.12726	1.8
183.11702	2.1
185.09619	3.5
185.13220	3.3
187.11139	7.2
187.14642	2.1
189.12695	7.8
190.13432	3.1
190.96252	3.2
197.13245	3.0
201.12740	2.8
212.11885	2.4
215.14133	1.8
227.14227	18.2
245.15167	2.7
253.19560	5.7
256.26279	17.7
257.18881	1.8
271.20432	2.0
281.18896	7.8
299.20056	9.5
317.21008	71.7
317.28943	1.9
318.29944	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2111
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
55.05442	18.8
56.50846	3.5
56.96493	18.6
57.06988	4.8
57.70913	3.9
67.05427	7.9
69.06976	10.8
74.56171	4.8
75.71330	3.9
79.05405	7.2
81.06961	19.9
86.06565	3.9
91.05393	36.0
93.06939	7.7
95.08519	8.0
98.97510	8.2
103.05383	8.8
105.06960	27.7
107.08487	7.6
107.42588	4.7
109.10082	8.8
116.98547	23.6
117.06961	19.5
119.08502	11.1
121.06454	10.2
121.10084	5.6
123.07939	6.0
129.06953	26.2
131.08513	45.8
133.10051	6.6
134.99600	17.0
135.07991	5.8
140.69531	4.7
143.08517	31.2
145.10114	20.3
147.07956	6.5
149.09645	5.1
153.00662	6.3
155.08470	5.6
157.10126	4.9
171.11652	100.0
172.95226	8.2
189.12717	32.0
189.14354	4.9
190.96158	6.5
228.33340	4.9
243.66447	4.8
270.93604	5.8
271.20505	5.6
281.18927	6.7
299.19962	8.5
313.46527	4.7
317.21063	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	7.1
56.04976	5.3
56.05782	1.0
56.89605	0.7
57.03383	0.7
57.07001	3.6
60.04454	100.0
61.04133	0.9
61.04785	9.0
61.93752	0.6
67.05425	10.8
68.04962	0.8
68.05751	0.7
69.06981	6.7
70.07323	1.1
72.04427	3.1
74.05977	1.6
79.05402	4.2
81.06976	8.6
81.23209	0.6
82.06466	1.0
82.07293	1.6
83.08535	3.7
84.08855	0.9
86.05991	0.8
88.07572	0.9
91.05367	2.8
92.05730	1.4
92.10791	0.8
93.06965	4.0
95.04893	0.9
95.08525	8.8
95.35632	0.7
96.08848	1.3
97.10139	1.0
105.06937	1.3
107.08514	1.0
109.10099	2.9
110.10388	1.1
119.08501	1.0
121.10091	1.3
129.26147	0.7
134.99632	0.9
216.15070	0.7
238.86414	0.8
259.48199	0.7
263.25583	0.8
280.26447	0.9
281.26691	5.0
298.27420	1.0
299.27603	7.1
316.28461	8.2
317.19971	4.9
317.28738	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	318.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08200	0.5
55.01812	0.6
55.05454	6.1
56.04954	2.7
56.96493	2.6
57.03370	1.3
60.04478	0.7
61.02853	0.9
68.04951	0.7
69.03348	5.0
69.06983	11.3
70.06514	8.3
72.08069	50.1
73.02814	2.5
73.06465	0.9
74.05956	0.6
75.05522	0.7
79.54296	0.6
81.03344	1.4
82.49133	0.7
83.06020	3.0
84.03941	1.2
84.04425	27.6
84.08065	32.7
85.02816	8.3
85.08386	3.5
86.09627	100.0
87.04398	1.1
87.05504	1.1
87.09949	2.6
88.03895	3.5
90.05480	7.4
95.06023	8.5
96.04404	1.5
97.02796	4.2
98.97514	2.7
102.05480	10.7
110.07130	5.9
111.04401	1.2
112.07525	0.9
116.98566	3.2
118.08600	0.9
119.01894	1.4
119.04881	1.2
121.02848	0.9
127.03854	3.0
129.10205	11.5
130.04996	5.5
130.08516	0.7
132.10158	1.5
133.06071	3.0
134.04420	3.9
134.99640	1.1
137.05945	7.0
138.05486	5.9
138.09102	2.7
139.03853	2.6
141.06580	1.2
141.38144	0.6
143.01825	0.9
143.11748	2.8
147.04390	2.8
147.07581	1.5
151.03831	0.6
155.01826	0.6
155.04654	0.9
155.07938	0.7
155.11786	0.9
156.06447	2.5
156.07683	0.8
156.10138	1.5
157.13374	6.9
158.99672	0.8
159.07578	1.6
161.02893	1.2
170.04500	0.7
173.03003	0.8
177.00697	2.8
179.06950	1.6
183.11217	8.6
185.12823	9.1
187.07118	3.1
190.09700	3.0
201.08635	1.6
201.12294	10.3
205.08160	4.5
211.10709	1.2
227.56894	0.8
229.11800	5.6
229.13730	0.7
276.07547	1.0
317.21698	3.1
318.09482	13.7
318.13019	1.1
318.16571	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98388	0.8
53.03883	4.1
54.21354	0.9
55.01798	2.4
55.05441	1.1
56.04977	1.6
56.96503	1.2
57.03356	6.3
60.04449	1.5
61.02851	14.4
67.05414	1.3
69.03349	22.1
69.06979	5.2
70.06503	12.8
71.04902	2.1
72.08075	11.4
73.02818	4.8
81.03340	9.6
84.04425	7.0
84.08067	18.0
85.02826	100.0
86.09633	15.6
87.04377	2.0
87.13488	1.1
87.68198	1.1
88.03913	1.9
91.03869	4.7
91.05405	4.9
91.69199	1.2
93.06970	5.0
97.02821	24.0
98.27924	1.3
98.97481	1.6
99.04377	2.7
103.05379	4.6
109.02850	9.9
110.07136	10.6
116.07030	1.3
117.06934	1.4
120.08035	2.4
121.06450	66.0
127.03880	16.3
129.10146	4.5
130.06474	12.5
131.08482	1.7
132.04462	1.5
136.07538	1.9
144.08034	1.3
145.04922	15.8
145.06404	1.6
146.06000	8.1
157.07568	1.6
158.05957	1.6
159.07939	4.6
159.09123	1.6
163.05957	2.3
187.07504	9.4
188.06924	8.8
200.79884	1.1
205.08560	5.5
224.54669	1.3
229.08600	1.7
247.53398	1.3
265.10730	2.1
265.95010	1.5
285.08572	1.5
285.54404	1.2
318.12204	4.8
320.54578	1.4
331.31482	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.181
Annotation	H-ILE-TRP-OH
Peak:m/z	Relative Intensity
53.00228	0.3
56.96492	0.3
57.05751	0.5
58.06527	0.3
69.06987	19.8
70.06498	0.4
72.08062	0.4
84.08059	1.5
85.02841	0.4
86.09625	100.0
87.09963	1.4
113.10738	1.2
116.98557	0.5
117.06990	0.3
118.06482	5.4
130.06499	1.7
132.08031	2.6
141.10197	1.2
142.06491	0.3
144.08055	4.7
146.05986	29.9
147.06357	0.3
159.09183	4.7
160.07600	0.5
170.05988	2.8
188.07024	45.3
189.07385	1.2
193.08646	0.4
205.09685	18.9
211.09564	0.3
259.63809	0.4
318.18048	9.2
318.25482	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1809
Annotation	H-Trp-Leu-OH
Peak:m/z	Relative Intensity
55.01807	1.2
55.05441	1.2
56.96498	1.6
57.03350	1.0
57.43653	0.7
69.03329	0.8
69.06973	7.5
70.06515	6.9
73.86600	0.9
74.02341	7.2
79.05428	1.0
81.06918	0.7
84.04425	1.2
84.08059	4.9
85.02807	3.1
85.03915	0.8
86.09621	96.4
87.09943	3.6
91.05396	1.5
97.06445	0.8
98.97499	4.0
103.05361	1.3
105.06973	1.3
106.58630	0.8
107.04892	1.3
110.07099	1.3
113.10714	1.0
115.05388	3.6
116.98582	1.8
117.05719	6.0
117.06953	1.7
118.06477	10.8
120.08052	3.7
121.06440	1.3
128.98611	1.0
130.06485	32.0
130.08575	4.0
132.04416	3.3
132.08047	64.3
132.13853	0.7
133.06474	1.0
134.99609	1.3
137.05914	1.4
141.10193	1.9
142.06490	9.7
143.07277	1.6
144.08060	49.6
146.05972	39.3
149.05850	0.9
157.13318	1.0
158.05911	1.5
158.08278	1.0
159.09135	100.0
160.07555	9.0
160.09462	1.8
170.05959	27.1
177.00652	0.9
188.07018	61.1
189.07426	1.5
191.62869	0.9
193.03609	0.9
205.09665	24.5
255.14769	0.9
272.17740	1.1
273.15808	3.1
301.12158	1.6
301.15369	27.8
302.15637	0.9
318.18103	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	318.1812
Annotation	H-Trp-Leu-OH
Peak:m/z	Relative Intensity
54.38918	0.6
55.01791	1.1
55.05442	3.6
56.96498	6.4
57.03364	1.0
57.07004	0.6
60.04440	1.1
67.05421	3.7
69.03329	1.5
69.06973	3.1
70.06501	2.9
72.08063	2.8
73.22919	0.8
74.02341	6.7
79.05401	3.2
81.06970	3.7
82.06486	1.3
83.04903	1.2
83.08527	0.9
84.04420	1.0
84.08047	3.9
85.02826	0.9
86.09627	15.5
89.03863	0.9
91.05395	3.0
91.42576	0.6
93.06954	3.3
95.04874	2.6
95.08540	1.2
97.02782	1.0
97.06443	1.4
98.97513	12.8
100.07539	1.6
103.05401	0.7
105.06972	5.8
105.73308	1.0
107.08534	4.4
109.06432	0.8
109.10080	1.5
110.07108	1.3
111.04358	1.6
113.10706	1.1
115.05428	5.9
116.98563	17.1
117.05692	4.6
117.06947	2.9
118.06493	3.0
119.01827	0.7
119.08504	0.7
119.72234	0.7
120.08051	1.6
121.06459	1.2
122.05978	0.9
128.98566	1.8
130.06488	32.6
130.08582	1.4
132.08057	75.5
133.02791	1.2
133.08398	1.1
134.99628	10.4
135.07986	4.5
136.07495	0.7
137.05975	6.4
139.93556	0.7
141.10139	0.9
142.06482	8.6
143.07343	2.2
144.08064	45.6
145.08478	0.8
146.05974	1.6
146.99586	1.2
149.05946	13.1
151.02795	0.8
151.03896	14.1
151.07498	1.1
153.05511	0.8
153.06908	2.9
158.08389	0.9
158.99605	5.3
159.09148	100.0
160.07558	8.6
160.09471	1.4
167.07018	3.0
168.07938	0.7
170.05959	21.0
172.07574	1.1
177.00706	11.0
177.05457	11.2
181.06413	1.3
182.61688	3.2
184.02773	1.0
188.07024	2.7
188.10625	1.2
202.03777	1.4
203.57097	0.8
214.08589	0.9
217.07506	0.9
227.11583	0.9
246.64084	2.7
255.11191	0.8
273.11978	3.4
273.15823	1.1
283.10489	0.9
286.12372	4.2
301.11719	5.8
301.15326	29.9
318.17886	3.8
318.68600	2.9
319.12692	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.202
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
55.05448	7.1
56.04969	0.6
57.97039	0.4
60.04453	41.4
62.88294	0.4
69.03339	0.5
69.06985	1.1
70.02864	1.0
70.06507	2.9
72.08064	100.0
77.21771	0.5
82.34052	0.4
84.04403	0.6
84.08067	4.5
85.02807	0.5
85.61561	0.5
86.09621	41.0
87.05510	24.4
87.09937	0.4
88.03897	0.9
91.05390	0.4
94.06500	1.9
96.08055	3.7
96.57671	0.5
97.02852	0.4
98.09630	0.6
98.97511	0.5
107.17244	0.5
110.07092	2.4
114.09112	30.2
118.08564	0.7
120.08054	2.7
128.10670	2.8
129.10184	2.4
132.10153	4.2
136.07562	0.6
141.10124	0.9
142.08678	0.5
159.11250	89.3
160.11620	0.6
173.12811	14.1
187.10725	21.5
201.12299	3.2
231.16959	1.0
258.07562	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.202
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
55.05445	7.1
56.04983	0.4
56.96500	0.6
59.45984	0.4
60.04456	0.5
61.02016	0.3
63.35476	0.4
69.06986	4.1
69.23936	0.3
70.06503	3.5
70.07297	0.3
72.08068	63.3
75.05497	0.7
79.13340	0.4
84.04419	8.0
84.08062	0.9
86.09624	100.0
87.05499	0.5
87.09956	2.4
88.03901	5.0
88.42294	0.5
96.08072	2.2
98.02363	0.8
102.05475	1.8
106.04920	0.5
112.11263	0.4
116.03448	0.6
116.07072	0.4
129.06541	0.5
130.04985	1.0
132.08008	0.8
138.09103	0.6
141.06642	0.4
141.10167	3.7
143.11751	4.6
146.01340	0.5
148.06032	2.2
155.11816	0.5
156.10175	5.4
159.09189	2.2
164.02315	0.9
170.05995	1.5
171.11325	0.7
171.38733	0.5
182.03331	0.8
183.11305	0.7
184.09628	0.4
185.16449	16.4
197.12878	2.4
200.13992	0.6
201.12315	14.3
201.14069	1.1
213.15923	8.5
215.13795	0.7
219.13391	3.5
225.12407	0.5
229.11852	1.6
276.07379	0.8
280.95471	0.5
299.41772	0.4
300.19104	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2022
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
51.36857	0.3
51.55791	0.3
52.45400	0.4
53.51801	0.3
53.88697	0.3
54.71089	0.4
55.01802	0.6
55.05449	4.3
56.04959	2.2
56.26370	0.5
56.96505	0.6
60.04453	26.3
64.54967	0.5
67.05413	0.6
69.03342	2.6
69.06981	11.2
70.02849	0.7
70.06138	0.7
70.06501	14.7
71.06831	0.6
72.08064	14.4
74.05992	0.9
74.69284	0.4
79.05426	0.6
81.03317	0.9
83.06020	0.5
83.08530	3.1
84.04417	7.5
84.08062	17.2
85.02816	2.0
85.08395	0.6
85.80315	0.4
86.09621	100.0
87.05505	12.1
87.09941	1.1
88.03430	0.4
88.03920	1.9
91.05412	3.1
92.10912	0.9
93.06983	2.0
95.04902	0.9
95.08557	0.5
96.08065	0.5
97.02815	0.7
98.05991	0.7
98.97527	0.6
102.05453	0.8
103.05394	0.7
105.06562	2.5
107.04890	0.7
108.08088	0.5
109.06477	0.5
110.07101	6.5
110.09578	1.7
111.08016	1.0
112.08640	0.9
114.09117	0.5
116.06992	0.6
116.98573	2.4
118.08608	2.0
119.04929	0.7
120.08034	5.9
121.06451	1.0
128.10658	14.5
129.10187	6.4
130.06483	1.8
130.08597	0.9
130.21028	0.5
133.02814	1.7
134.99617	0.7
136.07529	1.0
137.05991	0.5
138.03127	0.5
138.09088	0.6
138.32118	0.5
139.03908	0.6
139.04970	0.5
147.04443	0.6
151.03865	1.0
153.05444	2.7
155.11827	0.5
156.10178	2.2
158.99603	0.6
159.27345	0.4
165.06927	0.5
172.60513	0.5
173.12807	55.8
174.13179	0.6
175.09686	1.7
183.08037	0.5
193.04959	2.7
201.12294	12.2
217.03773	1.7
235.04932	0.9
237.02715	0.5
255.06320	0.5
318.16165	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2424
Annotation	17beta-Hydroxy-4,17-dimethyl-4-azaandrost-5-en-3-one
Peak:m/z	Relative Intensity
53.37990	0.4
54.81666	0.4
55.01820	0.4
55.05435	1.7
55.26046	0.3
56.08500	0.4
57.03381	0.4
57.39909	0.3
58.06523	1.6
59.04920	0.7
67.05407	1.0
68.84980	0.4
69.06995	3.0
71.04889	0.6
72.04428	1.0
72.08047	2.1
79.05401	1.6
81.06959	3.6
83.04874	0.5
83.08539	0.8
84.08066	0.4
85.06471	0.5
86.05981	1.0
91.05401	7.1
93.06977	2.1
95.08521	4.9
96.08045	1.6
97.06477	0.5
97.10088	1.0
97.57738	0.5
98.09615	0.6
98.97505	0.9
99.08000	0.9
100.07535	6.1
105.06963	14.6
107.08516	2.3
108.08051	1.8
109.06467	0.7
109.10091	2.0
111.08029	0.7
116.98557	0.4
117.06954	7.2
119.08515	4.3
121.10081	3.0
122.09587	0.7
123.08023	2.7
123.11625	0.8
124.11162	0.6
129.06940	2.4
129.21866	0.4
131.08516	12.0
133.10127	2.4
134.99652	0.8
139.11124	0.5
141.06940	0.7
143.08527	9.4
145.10091	20.4
147.11661	1.0
150.12671	0.7
155.08517	2.3
157.10071	7.0
159.11650	9.7
169.10071	2.5
171.11697	3.4
173.13202	2.9
183.11652	2.5
185.13188	3.3
187.14720	0.9
197.13176	1.0
199.14748	3.1
211.14885	0.6
213.16336	1.0
216.05421	0.4
217.15816	1.0
225.16341	2.7
239.17978	0.9
240.17496	0.4
241.19576	0.6
242.18904	0.9
243.17354	1.6
256.20572	0.6
265.19403	0.6
269.45718	0.4
282.22092	2.4
283.20288	0.7
300.23083	3.8
314.08337	0.4
318.24197	100.0
319.24472	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	318.2999
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
55.12419	0.9
57.07008	15.8
58.06526	2.1
64.34819	0.8
65.49475	0.8
66.65733	0.8
70.06142	1.5
70.06508	40.3
71.08538	5.9
75.12888	0.9
85.10107	2.1
88.07548	44.6
102.09114	26.5
126.79011	0.8
127.42294	0.9
132.10161	1.4
146.11757	1.3
150.11246	1.4
154.63255	0.9
256.26285	70.8
259.39816	1.0
300.28983	4.2
304.77618	0.9
311.99838	0.9
318.29950	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82086	0.9
55.74585	0.5
57.06735	0.8
57.07005	15.6
58.06534	0.8
65.80614	0.6
70.06142	1.1
70.06506	27.3
71.08548	6.7
84.02300	0.6
84.08057	1.3
85.10096	1.2
86.05941	0.6
86.09599	0.6
88.07548	26.1
93.06958	0.9
102.09133	1.3
105.06972	1.3
106.08584	4.5
114.09113	8.6
118.08578	3.0
119.08490	0.5
130.08615	0.7
132.10161	31.3
133.10106	0.7
145.10052	1.1
150.11227	27.6
169.10098	0.6
242.24686	3.2
256.26202	0.9
274.27396	9.7
283.20450	1.3
301.21613	3.4
318.29929	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.3
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
54.81780	1.0
54.82051	1.2
55.01817	1.0
55.05444	7.4
56.04752	1.2
56.04978	18.0
57.07014	14.4
58.06527	6.1
60.04461	100.0
60.10389	1.1
62.36042	1.0
67.05418	5.5
69.06983	8.1
71.08540	5.1
74.06007	13.0
79.05430	1.9
81.06950	1.4
82.06457	1.1
83.08532	1.9
85.10112	2.2
86.05996	2.0
88.07044	2.3
88.07555	43.5
93.06990	1.8
95.08522	5.6
97.10089	1.8
109.10139	1.6
118.08589	6.4
122.08111	2.8
149.01190	3.0
270.27863	38.7
282.27792	10.7
300.28973	12.0
315.69510	1.2
318.29962	88.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1174
Annotation	Evofolin B
Peak:m/z	Relative Intensity
53.03904	1.7
54.81697	0.9
55.01797	1.1
55.05438	1.4
56.96502	7.6
58.39752	0.9
58.68392	0.8
59.70798	0.8
61.83775	1.0
65.03873	2.5
67.05440	6.4
68.32011	1.0
69.03366	1.4
70.06525	5.0
72.08080	2.1
74.02364	1.3
79.05397	2.0
81.06980	4.0
84.04462	2.0
84.08088	1.5
85.02824	2.4
86.09599	9.4
89.03862	2.3
91.05431	6.8
92.10837	1.2
93.06988	4.5
94.15085	1.0
95.04901	5.4
95.08566	1.9
97.02830	2.1
98.97505	9.7
103.05453	1.6
105.06998	2.3
107.04912	5.7
107.08542	1.8
108.02032	2.1
109.02825	1.3
115.05407	1.2
116.98579	13.6
117.03344	4.8
117.05687	1.7
119.08526	1.7
120.08079	2.4
121.06449	7.7
121.10112	1.6
128.98647	1.9
129.10207	1.5
130.06485	10.3
131.06856	1.9
132.08058	18.0
133.02847	7.0
133.08441	4.6
133.10040	1.3
134.03607	1.3
134.10510	1.1
134.99609	11.0
135.04419	2.4
135.07991	1.4
137.05934	12.9
141.05450	9.9
142.06544	2.2
143.08537	1.2
144.08070	12.0
145.08437	2.2
145.10191	1.5
146.99672	1.8
149.05943	100.0
151.03882	99.4
151.05028	17.4
151.07536	4.7
153.05919	1.1
153.06964	9.2
158.99678	4.3
159.09140	21.3
160.07588	1.7
160.09525	12.3
161.05904	1.2
165.00705	1.3
169.06564	1.6
170.06036	2.5
177.00664	8.2
177.05424	70.2
181.06396	14.8
189.00694	1.1
189.07518	1.1
198.06749	2.1
209.05962	5.1
213.09081	7.7
237.02882	1.2
241.08565	4.7
272.74194	1.0
273.11105	8.4
279.03909	1.3
283.09506	1.6
286.62390	1.7
301.10577	9.6
301.15338	4.9
302.15735	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	319.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68298	0.8
55.01804	6.2
55.05437	1.0
56.31844	0.7
56.96498	1.5
57.45277	0.7
60.04450	1.0
60.50967	0.7
62.88699	0.7
67.05428	8.3
69.03315	1.1
69.06981	1.1
70.06503	3.3
72.08072	0.8
79.05412	1.3
80.41510	0.9
81.06963	3.2
84.08074	1.6
85.02827	1.5
85.34970	0.8
86.09621	5.1
91.05379	3.5
93.06963	3.9
94.06522	0.9
95.04829	1.1
95.08522	1.3
97.02845	1.0
97.06433	1.2
98.92027	0.9
98.97501	5.0
99.04375	0.8
100.03930	0.9
102.51554	0.7
103.05431	1.1
105.06968	2.0
107.04901	1.3
107.08537	2.0
109.10088	1.5
116.98544	6.3
119.08500	1.0
120.08047	1.8
121.10081	0.9
128.98608	1.4
129.06927	1.2
130.06470	1.1
134.05974	1.1
134.99623	6.1
135.08049	1.9
136.07545	5.3
137.05946	1.8
138.05473	4.7
141.06964	0.9
143.08498	1.4
145.10036	1.2
146.99643	3.4
153.00568	1.0
154.06505	1.3
155.08591	0.8
157.08817	1.0
161.13142	1.2
162.05463	9.1
164.06966	1.3
167.07249	3.6
168.07986	1.3
170.08311	1.7
170.09612	3.2
172.11183	1.3
177.00665	5.3
182.08105	1.4
182.09601	1.6
183.09183	1.7
184.09860	3.2
185.10677	3.5
185.69257	1.0
186.09108	1.1
187.08641	1.5
196.07509	1.4
197.06987	8.5
198.07803	18.6
199.08595	1.2
199.12282	3.9
200.10675	5.3
209.10728	4.1
210.09068	3.8
211.08585	7.5
212.09305	16.5
213.10185	29.7
222.07796	1.7
224.06995	1.7
225.06529	14.7
225.10092	1.4
226.07315	50.2
226.10753	1.3
227.08043	1.6
227.11696	7.5
228.06522	2.9
228.10091	5.2
229.09657	12.6
237.10150	1.8
239.08081	3.2
240.08821	18.8
241.09668	100.0
255.11238	17.4
256.09613	39.7
279.03830	1.1
283.10699	48.7
284.08810	3.1
298.63287	1.6
301.11752	17.5
302.10101	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	319.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00238	1.1
53.03882	5.4
54.00334	0.8
55.01810	7.1
55.05185	2.0
55.05449	54.5
56.04984	3.4
56.96491	2.3
57.03362	1.4
60.04457	1.4
60.56219	0.8
60.78800	1.0
61.01068	1.5
63.34729	0.9
67.05413	3.9
69.03345	7.7
69.06985	37.1
70.06503	24.7
71.04908	1.9
72.08061	12.4
72.28579	0.9
74.06001	1.6
76.02142	2.5
79.05400	4.4
81.03326	16.7
81.06976	2.2
83.08534	100.0
84.04415	7.4
84.08064	17.0
85.02806	6.9
86.09623	20.5
87.08025	2.1
88.03917	2.0
91.05404	6.3
93.06963	11.2
95.04886	1.8
95.08524	1.3
97.02821	22.4
97.06461	4.2
98.97524	4.3
99.04375	7.4
102.05470	1.2
103.05404	3.6
105.00049	1.3
105.06972	2.3
107.04871	2.3
107.08531	11.8
109.02825	31.4
109.06440	1.5
110.07122	9.1
111.08027	26.6
113.07066	7.0
115.05367	1.1
116.04877	1.3
116.07021	8.3
116.98565	6.9
120.08050	16.0
121.06457	2.4
122.02642	4.4
127.03880	13.6
129.09065	4.4
129.10205	7.0
130.06526	1.1
134.99631	4.0
135.08023	21.0
136.07535	3.9
137.05963	5.2
139.07480	3.0
150.06734	1.0
157.08580	6.3
158.99553	1.0
160.00624	1.1
163.07549	1.6
175.09613	43.9
177.00667	3.9
177.10184	1.4
265.10703	1.2
283.11639	1.2
301.12189	1.0
309.41757	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30936	0.8
53.00263	0.9
53.03882	5.5
55.01809	9.0
55.05186	1.7
55.05450	52.1
56.04967	6.7
56.96492	1.4
57.03365	1.6
60.04453	1.8
60.12894	0.8
61.01080	1.9
66.35103	0.9
67.05419	5.8
69.03334	8.2
69.06990	33.0
70.06506	28.2
70.47800	0.8
71.04899	2.2
72.08069	17.0
74.05994	2.0
76.02135	1.4
79.05408	3.6
81.03329	15.2
81.06955	1.8
81.40446	0.9
83.04884	1.1
83.06008	1.0
83.08533	100.0
84.04420	7.7
84.07580	1.9
84.08060	27.8
85.02837	6.8
85.08408	1.1
86.09624	22.9
87.08012	1.9
87.09915	1.2
88.03907	1.8
91.05403	6.8
93.06968	6.1
95.04899	1.9
95.08503	2.5
97.02822	28.6
97.06456	5.1
97.40491	1.1
98.97491	7.4
99.04388	11.0
103.05408	2.2
105.06969	4.0
107.08511	8.8
109.02822	31.8
109.03533	1.8
109.10114	1.3
110.07109	10.4
111.07348	1.6
111.08028	22.1
112.08638	1.3
113.07063	6.8
116.04944	3.7
116.07040	6.1
116.98516	7.4
118.08622	1.1
119.04900	1.3
120.08068	19.0
121.06460	2.0
122.02670	4.1
127.03876	11.6
128.98630	1.1
129.09102	4.3
129.10199	12.0
134.99615	5.3
135.08034	15.4
136.07571	1.7
137.05946	5.2
139.07516	4.3
145.04839	1.1
146.99634	2.1
157.08553	6.2
159.11273	1.3
172.03947	1.6
175.09619	36.4
177.00694	2.5
237.02817	1.3
265.10602	1.6
319.12582	1.1
320.11331	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	3.6
56.04973	15.5
56.96499	1.8
57.05747	3.2
59.40483	0.7
60.04439	0.9
60.05574	1.2
69.03343	1.4
69.04475	3.3
69.06988	1.5
70.06506	23.8
71.04881	1.1
72.08068	8.0
81.03354	0.8
81.06959	1.0
83.06026	7.2
83.08536	1.9
84.04425	5.4
84.08060	15.2
85.02808	1.2
85.08406	1.3
86.09624	9.5
87.05513	1.3
88.03904	4.8
91.05418	3.3
92.10345	1.1
92.10825	1.5
95.06014	7.3
97.02843	0.8
97.03947	1.1
97.07587	1.0
98.07093	1.6
98.97497	5.9
106.06489	1.6
110.07117	7.6
111.05509	14.4
112.05068	1.1
112.08675	3.3
113.07063	8.2
115.08631	0.9
116.98557	3.3
118.06490	5.1
119.21103	0.9
120.04428	5.6
120.08060	4.3
123.05531	1.7
126.06599	6.8
127.03920	1.2
127.07377	4.7
128.98531	1.3
129.10205	4.6
130.06491	9.3
131.04921	1.1
132.04411	22.5
132.08055	5.8
134.05966	6.4
134.99620	1.4
135.91837	0.8
136.07549	4.1
137.04715	1.1
137.05960	1.4
139.03893	3.3
140.08185	5.6
144.08058	3.9
146.05988	14.7
148.03897	3.1
150.05484	15.1
150.06580	1.6
151.03867	1.0
151.06104	13.6
159.09174	6.8
159.63794	0.8
162.05383	1.3
165.06549	1.0
169.07544	1.6
170.05933	1.3
174.05437	1.3
176.06989	2.0
177.00703	1.9
187.08627	9.1
187.11163	0.9
188.06998	13.4
189.06564	1.7
202.09738	8.1
203.08127	8.7
205.09732	1.4
211.08714	1.0
230.09135	6.7
231.07585	51.1
232.10669	2.9
233.09225	1.1
233.13878	10.3
242.09248	4.4
246.08690	1.3
246.63962	0.8
249.13516	0.9
250.98753	0.9
255.08875	1.1
257.10303	9.1
257.40182	1.0
259.11819	37.0
260.10156	1.8
269.67902	0.8
277.12881	100.0
278.13065	1.3
284.11441	5.2
300.02048	1.0
302.12405	60.6
319.15076	81.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07267	2.1
54.81587	2.5
55.05443	23.5
56.04971	19.4
56.96512	9.0
60.04454	6.6
67.05421	31.4
68.04920	3.0
69.03364	6.4
69.06989	38.5
70.02858	5.5
70.06137	4.7
70.06506	100.0
72.07718	3.5
72.08071	77.6
72.08693	2.6
73.08405	4.2
74.05972	5.2
76.02110	3.2
79.05392	2.5
80.78097	2.7
81.03334	5.2
81.06986	6.5
83.06010	5.1
83.08520	5.9
84.04423	90.3
84.08064	94.4
85.02811	13.4
85.03937	4.6
85.08372	4.8
86.09624	53.2
87.05518	19.5
87.09937	3.8
88.03907	5.2
91.05415	20.7
93.06973	13.9
95.04874	3.4
95.06041	2.8
95.08543	31.4
97.02809	5.7
97.57227	2.7
98.05956	4.4
98.97502	17.4
101.10751	2.6
102.05460	13.3
103.05396	3.3
107.05009	2.5
109.02795	3.5
109.10105	57.9
110.07106	51.4
111.04455	2.5
111.11691	4.3
112.08633	4.6
113.07038	3.1
115.08602	4.4
116.04903	3.9
116.07029	6.1
116.98576	30.3
117.52875	2.8
118.06466	20.0
119.08511	4.9
120.04465	6.0
120.08062	20.7
122.07114	4.8
128.98579	4.7
129.06546	3.4
129.10191	36.7
130.04990	24.9
130.06477	70.1
130.08629	3.5
132.08037	15.3
134.99612	16.7
135.08032	3.7
136.07535	17.5
137.09592	23.1
137.29788	2.7
141.06544	16.6
144.08032	17.4
146.04948	4.7
146.06000	85.1
146.07098	2.9
146.99666	2.9
151.03868	4.7
154.06454	4.5
154.12219	25.8
158.99626	10.0
159.09132	25.1
159.80797	3.1
161.01122	4.3
165.05609	2.7
165.52730	2.6
169.07521	18.5
170.05925	23.2
171.09097	14.4
172.13283	22.1
173.12747	2.9
177.00638	20.2
180.07788	4.0
182.05946	6.0
188.07024	74.4
190.14354	23.4
195.08740	4.2
205.09636	5.9
211.08691	2.7
216.11333	2.8
223.03822	4.4
239.07938	5.1
243.07632	14.7
255.01216	3.9
260.10294	25.3
279.03671	3.6
284.09808	2.8
285.08667	14.4
301.17416	34.6
302.11374	18.2
302.15881	4.3
319.13052	4.5
319.18567	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	319.2263
Annotation	Agallochin H
Peak:m/z	Relative Intensity
54.81611	1.8
55.05447	3.9
57.06999	2.3
67.05415	7.1
69.06985	10.1
72.03948	1.7
72.74968	1.6
79.05419	2.3
81.06982	12.4
83.08543	3.0
86.52346	1.7
91.05385	7.0
93.06963	10.5
95.04900	2.0
95.08535	22.4
97.06477	4.0
105.06998	12.5
107.08546	9.6
109.06497	3.8
109.10104	8.2
111.08044	3.1
116.62503	1.9
116.98549	1.9
118.18531	1.6
119.08494	13.7
121.06458	100.0
121.10098	4.2
131.08528	8.5
133.10121	8.6
135.08040	8.9
135.11667	3.0
142.80661	1.9
145.10083	13.5
147.07925	13.8
157.10190	2.8
159.11638	2.8
161.09595	9.8
161.13246	2.7
171.08081	2.9
173.09557	3.2
175.11160	2.9
187.14780	18.6
189.12746	3.1
203.14311	2.3
241.15662	2.0
283.20541	8.3
301.21490	2.0
319.22626	53.5
320.22919	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	8.3
56.96500	10.5
57.07016	3.3
59.04940	2.1
67.05420	7.6
67.19551	1.6
69.06976	8.2
71.04892	2.1
79.05407	3.6
79.33159	1.6
81.06982	14.2
83.08544	3.9
86.00732	1.8
91.05394	8.8
93.06979	15.7
95.04895	2.5
95.08517	19.7
97.06473	3.2
98.97504	39.8
105.06969	17.4
107.08557	15.6
109.06454	11.6
109.10103	10.5
110.97540	3.8
116.98565	41.7
117.06997	2.2
119.08537	19.0
120.03223	4.0
121.06450	100.0
121.10085	7.3
122.06794	2.4
123.11666	4.1
128.98558	18.0
129.06909	1.9
131.08539	12.6
133.10088	7.7
134.99628	38.9
135.08014	7.8
135.11705	2.0
137.09564	2.1
143.08504	3.6
145.10063	16.4
146.99638	27.0
147.08060	16.5
147.11691	2.4
153.00676	7.0
157.10097	6.7
158.99608	8.6
159.11684	6.7
161.09602	10.2
165.00749	4.0
169.84534	1.8
170.99649	3.2
171.11620	2.6
173.09592	3.6
173.13095	2.5
175.11163	3.6
175.14777	3.2
177.00674	31.6
183.11658	2.9
185.13162	3.7
187.14786	15.9
189.00665	20.3
189.12645	3.5
195.01659	4.0
201.00652	2.5
201.12621	2.1
207.01738	8.2
209.13348	1.9
219.01759	3.0
237.02780	2.4
265.19424	2.4
279.03781	11.2
283.20343	13.2
297.04871	4.1
301.21658	3.3
319.18942	2.5
319.22543	44.2
338.11121	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2264
Annotation	12(S)-HEPE
Peak:m/z	Relative Intensity
53.03893	2.1
55.05446	11.6
55.33993	1.8
56.96500	4.7
57.07013	3.8
59.98736	1.8
67.05421	15.2
69.03369	2.6
69.06971	31.2
71.04907	9.4
76.35310	2.3
76.66135	2.1
79.05407	15.9
80.17179	2.0
81.06963	33.4
83.04933	5.3
83.08551	8.4
91.05410	23.8
93.06960	28.7
95.04922	3.4
95.08527	33.2
95.94974	1.9
97.06461	7.8
98.97512	30.1
99.08005	3.6
101.27367	2.0
105.06969	100.0
105.36843	2.1
107.08524	39.2
109.06451	9.6
109.10098	17.1
116.98562	40.8
117.06973	18.4
118.07337	2.4
119.08510	51.4
121.06424	2.8
121.10096	17.7
123.07970	4.4
123.11647	8.9
125.09585	2.8
128.98531	10.0
129.06944	12.7
131.08519	56.4
133.10072	26.5
134.99634	33.3
135.08017	4.9
135.11664	10.3
137.09644	3.6
140.54991	2.4
141.06995	3.7
142.07747	5.1
143.00064	2.3
143.08554	30.2
144.09224	3.5
145.10086	61.8
146.10367	3.9
146.99635	14.4
147.11656	17.0
153.00723	4.2
155.08522	17.3
156.09270	10.8
157.10078	31.8
158.99637	10.6
159.11647	53.4
161.09569	3.7
161.13257	8.5
167.08511	3.1
168.09311	2.7
169.10121	20.8
170.10768	2.5
171.11688	23.3
173.13205	17.1
175.11223	2.8
177.00661	27.5
181.10051	3.0
183.11668	15.2
185.13194	33.2
187.14827	3.0
189.00674	10.5
189.12715	4.9
191.50471	2.5
195.01756	3.3
195.11655	10.5
197.13148	16.6
199.14732	15.8
201.00757	3.5
203.14252	3.9
207.01756	4.6
209.13225	5.5
210.14049	3.3
211.14755	10.1
213.16408	3.7
221.13268	2.5
223.15007	3.6
225.16414	5.5
227.17978	2.6
239.17912	14.1
241.15794	4.0
241.19382	3.1
255.17297	2.9
255.20999	12.6
257.18933	14.4
259.20834	2.4
265.19513	17.1
279.03745	4.5
283.20413	40.2
301.21478	44.5
318.24347	10.6
319.21979	5.1
319.24432	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	319.2265
Annotation	11R-HEPE
Peak:m/z	Relative Intensity
50.92774	3.3
53.00210	3.4
55.05449	41.1
56.96482	6.1
59.04919	5.3
61.07850	3.4
66.53496	3.7
67.05410	19.0
69.03355	4.8
69.06981	39.2
71.04891	15.4
73.42347	3.3
76.19228	3.4
79.05393	25.5
81.06963	53.2
82.78055	3.6
83.04878	7.7
83.08533	16.4
85.06462	5.3
85.79353	3.5
91.05405	37.1
91.30904	4.2
91.58045	4.2
92.10181	7.4
93.06974	58.1
95.04894	9.2
95.08528	56.6
97.02836	4.1
97.06449	16.6
98.97500	56.2
99.04408	5.4
100.11179	41.7
105.06960	90.4
107.08540	75.8
109.06427	6.7
109.10071	29.1
110.97526	7.6
116.98561	62.9
117.06944	22.4
119.08530	68.2
121.06494	6.1
121.10103	28.2
123.08022	5.7
123.11661	7.1
125.09616	6.1
128.06178	6.4
128.98550	16.5
129.06956	19.9
131.08516	55.3
133.10110	38.9
134.99655	38.0
135.07985	6.0
135.11638	9.6
142.07762	16.6
143.08508	39.8
144.09247	4.0
145.10101	69.8
146.99622	19.8
147.11642	23.8
149.13205	7.9
151.11113	4.7
155.08516	18.7
156.09290	5.2
157.10091	41.8
158.99559	14.7
159.11644	55.4
161.09598	7.2
161.13214	5.2
166.56693	4.0
169.10080	23.7
170.99545	4.3
171.11635	30.9
173.09581	4.9
173.13258	9.1
175.14777	4.2
177.00673	45.3
177.05362	34.3
181.10048	9.7
183.11659	26.5
185.13228	39.4
187.14746	16.8
189.00648	19.2
195.11711	7.8
197.13199	8.2
199.14824	21.4
203.14328	6.4
207.01686	4.4
209.13223	20.0
211.14738	17.5
213.12512	5.7
213.16302	6.6
223.14748	4.8
225.16399	16.5
227.14371	6.4
227.17786	4.4
229.85222	4.1
237.02609	4.1
239.17899	4.9
241.19435	16.6
243.17358	7.3
255.20932	17.7
265.19434	30.5
274.59888	5.6
279.03888	7.0
283.20480	100.0
301.21597	82.7
319.22647	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	319.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05446	10.1
56.96498	20.8
57.06979	3.8
58.84328	4.0
59.04918	4.1
67.05428	21.1
69.03351	6.5
69.06976	24.8
79.05404	14.8
81.06967	62.3
83.08521	4.7
91.05407	26.1
93.06947	37.8
94.25564	3.6
95.04893	7.0
95.08537	43.2
95.39085	4.5
97.06493	4.5
98.97507	68.4
105.06991	38.8
106.35023	4.8
107.08543	39.5
109.06447	3.9
109.10120	30.2
110.97501	8.0
111.08033	4.7
116.98569	100.0
117.06940	9.2
119.08523	29.9
121.06452	7.7
121.10088	24.2
125.09560	10.4
128.98544	33.4
131.08528	30.1
133.10106	28.5
134.98723	6.1
134.99640	88.4
135.11644	9.0
142.07819	5.8
143.08528	15.2
145.10162	30.2
146.99617	54.3
147.11678	16.9
149.01184	6.4
153.00645	16.9
154.37112	4.9
155.08545	9.1
157.10088	22.7
158.99615	27.7
159.11664	20.4
161.09644	4.6
161.13187	5.2
165.00717	7.4
169.10115	5.2
173.13153	8.0
175.14838	4.9
177.00661	77.3
183.11607	5.1
185.13297	9.2
187.07503	7.8
189.00632	29.5
195.01836	8.4
195.11705	4.9
199.14859	6.8
201.16391	5.7
207.01733	16.6
213.16371	7.0
219.01619	5.4
237.02684	8.9
255.03691	5.6
264.07990	4.7
265.19455	6.7
279.03897	23.6
283.20502	27.8
297.04907	5.7
301.21530	32.0
319.15173	18.7
319.24896	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2264
Annotation	Leucothol A
Peak:m/z	Relative Intensity
55.05445	14.5
56.96495	10.3
57.07016	1.9
67.05434	16.8
67.05721	2.3
69.06978	12.7
75.02524	2.0
79.05417	17.8
81.06967	35.4
83.04893	10.6
83.08546	2.8
85.06472	2.4
91.05404	38.4
92.10951	2.1
93.06968	51.8
95.04892	3.2
95.08536	34.8
97.06469	7.7
98.97501	47.9
105.06971	58.8
106.20632	1.9
107.08532	32.6
109.06451	4.4
109.10101	19.9
110.97506	3.5
111.07996	3.5
116.98552	42.6
117.06956	19.3
119.08539	48.5
121.06486	3.5
121.10078	16.3
122.46346	2.1
123.07978	3.9
123.11662	2.7
125.09589	10.9
128.06166	2.5
128.98552	22.4
129.06964	11.9
131.08514	32.0
133.10098	21.7
134.99600	40.7
135.08014	11.0
135.11650	11.9
141.06999	2.7
143.08522	31.1
145.06438	2.0
145.10068	38.3
146.99602	26.1
147.08014	4.0
147.11661	14.6
149.09642	3.8
151.11165	2.4
153.00682	10.2
153.07024	2.0
155.08530	17.1
156.09286	2.8
157.10095	29.5
158.99675	4.9
159.11655	22.4
161.09561	3.9
161.13200	15.5
163.11156	19.7
165.00661	4.8
165.06972	2.1
167.08548	2.9
169.10124	13.8
170.99550	2.1
171.11635	21.3
173.13286	9.0
175.14786	3.9
177.00629	41.0
177.12680	3.2
181.10158	3.1
183.11667	15.5
185.13222	33.7
187.14799	2.9
189.00668	18.5
189.12660	12.5
191.14343	3.9
195.01659	3.8
195.11624	8.2
196.10126	2.1
197.13174	20.9
199.14781	14.4
200.02364	2.3
201.12627	9.1
203.14249	27.0
205.96074	2.4
207.01796	8.0
209.13177	9.6
211.14822	4.1
213.12668	4.2
213.16324	7.8
215.14281	4.8
219.01759	3.7
223.14816	10.3
225.16360	10.2
227.14288	7.8
237.02802	3.2
237.16249	3.1
239.17958	7.6
241.15862	13.3
241.19417	7.7
255.17384	4.7
255.21074	8.0
259.16663	2.5
265.19589	19.4
279.03754	12.0
283.20499	100.0
297.05078	2.9
301.21536	47.4
319.22446	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	320.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33340	0.5
53.03895	0.9
55.01812	0.9
55.05450	18.4
56.04970	8.8
56.05772	0.7
56.62226	0.5
56.96498	1.5
57.03367	0.8
58.99511	6.3
60.04443	1.0
61.01070	9.5
67.05435	2.6
68.04949	8.7
68.77850	0.6
69.03343	1.6
69.06985	7.0
70.06506	50.2
71.04900	0.7
72.08068	7.2
76.02139	18.3
79.05412	7.1
81.03332	1.4
81.06999	0.9
83.04916	0.8
83.08530	14.7
84.04420	5.9
84.08061	8.2
84.08859	5.3
85.02829	0.9
86.09619	17.3
86.98971	7.2
88.03924	0.9
91.05403	8.6
91.06200	0.6
93.06983	4.8
95.04893	3.3
95.08523	0.8
96.04414	3.0
97.02820	3.6
97.06458	14.7
98.97506	6.8
99.04388	0.7
103.05412	1.1
104.05251	3.1
105.00010	7.0
105.06965	5.2
107.04889	0.9
107.08531	54.7
109.02807	3.7
109.06459	4.6
109.10128	1.1
110.03176	1.5
110.07114	11.9
111.08041	4.7
113.07071	42.0
115.05379	2.6
116.07037	51.7
116.98574	7.9
117.06956	8.2
119.06001	1.0
120.08053	69.9
121.06389	0.8
122.02676	32.5
127.03854	0.9
128.04160	0.7
128.98547	1.0
129.10191	3.5
130.04959	1.0
130.06497	1.5
132.10245	0.7
134.99641	7.1
135.08015	100.0
136.07549	0.9
137.05943	1.5
139.07539	0.9
146.99634	1.6
153.00685	1.2
153.09091	10.6
157.07515	1.6
157.08681	0.8
158.06024	1.5
158.99622	1.2
161.07396	7.0
163.07483	8.0
175.08353	0.9
175.09653	4.0
176.09995	3.0
177.00658	5.2
177.10201	13.1
181.08662	1.4
189.00687	2.9
189.06926	3.9
195.01717	1.1
199.09561	5.5
221.09137	1.1
237.02849	1.0
255.03947	0.9
279.03845	1.0
320.11804	4.0
320.19357	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05446	13.2
56.04960	9.0
56.96488	2.5
57.03378	1.2
58.99511	5.8
59.08892	1.1
60.04430	3.0
61.01045	2.3
67.05415	3.1
69.03332	1.3
69.06988	13.5
70.02852	1.6
70.06136	2.4
70.06508	56.0
72.08074	23.8
74.05965	2.1
75.05511	8.3
76.02139	22.4
78.36874	1.2
79.05397	7.6
83.08514	3.1
84.04420	16.0
84.08072	31.7
84.95951	1.3
85.02835	1.7
86.09625	88.7
86.98962	3.5
87.09937	1.2
88.03899	6.6
91.05399	14.3
93.06952	7.1
95.04901	3.3
95.06000	2.1
95.08553	2.3
97.02796	2.6
97.06441	13.3
98.97510	11.5
102.05457	1.9
103.05377	5.4
104.05254	6.6
105.00044	10.6
105.06955	3.0
107.08533	57.1
109.06436	2.7
110.07119	26.1
111.04389	1.6
113.07018	1.5
115.05359	3.1
116.98582	10.6
117.06938	8.1
120.08051	20.9
121.06482	1.5
122.02678	31.9
128.98563	6.6
129.10164	12.2
130.06490	5.9
131.04964	1.6
132.08066	1.4
133.03145	3.0
134.05920	1.5
134.99611	13.1
135.08011	100.0
136.07491	2.3
143.11754	29.3
144.08040	1.6
145.09944	1.5
146.05974	6.0
146.34720	1.7
146.99580	9.4
150.05753	10.0
153.00647	2.2
153.09094	11.2
158.99570	3.0
159.09134	1.6
163.07498	9.9
170.05873	1.6
171.11292	2.6
173.09201	6.2
177.00700	12.7
188.06969	3.2
189.00650	3.2
199.09587	2.4
201.00618	1.4
207.02043	1.7
219.01704	1.8
237.02682	2.9
279.03802	3.2
320.11331	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	320.1241
Annotation	Asp-Trp
Peak:m/z	Relative Intensity
53.18739	0.8
54.82395	0.7
55.05443	4.1
55.93669	0.9
55.93970	0.8
56.04965	6.5
56.88689	0.7
56.96500	1.8
60.04434	1.3
60.05591	1.1
61.01077	1.2
62.58063	0.8
66.75314	0.9
69.03350	1.1
69.06992	1.6
70.02870	1.5
70.06136	1.7
70.06509	37.0
71.06843	1.4
72.08060	10.9
72.51711	1.0
81.03349	1.4
83.04918	1.0
83.06005	1.8
83.08533	1.0
84.04436	7.2
84.08062	18.1
85.02845	1.2
86.09635	12.2
86.36445	1.0
87.09973	1.1
88.03915	29.3
91.05405	1.8
92.52751	0.9
92.65173	1.1
93.06989	1.1
95.95662	1.0
97.03951	8.1
98.97536	8.4
103.05409	1.7
105.52246	0.8
107.08526	2.1
109.02819	1.0
109.06503	1.2
110.07101	10.5
111.05495	1.1
116.07037	5.7
116.98575	8.9
117.06973	1.5
118.06486	22.1
119.04892	1.2
120.08081	8.7
123.04427	1.3
126.06587	1.2
128.98615	1.9
129.10197	8.1
130.06493	51.0
130.08624	1.2
131.06807	1.7
132.04408	3.8
132.08057	26.5
133.04681	1.2
134.99638	9.0
135.07965	4.8
136.07509	2.0
137.05949	9.1
139.03894	1.1
142.06503	4.4
143.04521	15.2
143.07191	1.2
144.08061	19.5
146.05988	89.1
146.99567	2.0
150.05486	1.4
151.06110	2.4
154.06477	2.3
157.07520	1.0
158.08357	14.0
158.99693	1.2
159.09128	22.5
160.07518	3.4
168.08011	3.9
169.07558	13.4
170.05981	18.1
171.09167	4.5
173.09180	2.2
177.00676	8.2
178.46133	1.1
182.06042	1.5
185.07039	1.7
187.08588	4.2
188.07028	100.0
189.00708	1.6
189.07248	1.5
197.06975	1.2
199.08675	1.2
205.09682	17.5
207.01617	1.1
211.08662	1.1
215.16551	1.1
221.07037	2.1
225.06485	1.4
231.07634	5.7
232.07983	4.3
233.13861	1.3
239.08139	6.2
239.11818	1.2
243.07541	4.5
256.10745	1.7
259.11835	1.9
260.10065	1.5
260.12433	1.2
274.11780	14.9
277.12848	9.6
278.13202	11.5
279.03970	1.5
284.10251	2.0
285.08636	8.7
302.11273	7.3
303.12680	5.6
319.15018	5.0
320.12070	12.0
320.15570	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	320.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	2.9
53.43818	0.5
55.01808	1.6
55.05442	1.3
55.67939	0.6
56.04981	7.1
56.96503	0.9
57.03371	4.2
58.06520	0.7
60.04455	9.3
61.01072	3.4
61.02846	7.6
65.07308	0.6
69.03351	12.3
69.06981	3.5
70.06513	5.0
71.04920	1.6
72.08073	21.0
73.02819	3.0
73.08400	0.6
74.05987	9.1
81.03335	12.2
84.04419	3.1
84.08064	23.3
85.02825	49.2
86.09627	35.0
87.04395	1.2
87.05523	4.9
87.09961	2.7
91.03873	3.1
97.02818	13.2
98.05994	5.9
98.97517	4.6
99.04370	2.4
103.05404	2.7
104.05246	9.3
109.02828	100.0
110.03194	0.8
110.07108	1.2
112.11190	3.5
116.07022	0.8
116.98553	3.3
120.06507	0.9
120.08056	19.5
127.03860	9.6
128.10641	5.1
128.98535	1.0
129.10214	4.3
129.13857	1.1
130.08609	9.5
134.99657	0.8
139.03822	0.7
140.07042	1.2
141.05438	47.2
145.04927	6.3
146.06310	1.0
146.16490	5.7
146.99657	0.9
147.11238	6.5
158.08043	0.9
173.12822	19.7
175.08542	0.8
177.00708	2.6
177.05460	0.8
180.08669	1.0
195.01791	0.7
197.12820	2.7
201.12343	4.0
219.01788	0.7
233.45332	0.7
237.02727	1.5
246.18030	0.7
261.06561	0.8
320.16339	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	320.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01791	0.7
55.05443	4.6
56.04724	0.5
56.04973	11.1
56.96495	2.9
57.03369	0.7
58.99504	0.8
60.04439	2.3
61.01063	3.7
61.02834	0.5
67.05405	0.5
68.04932	1.1
69.03339	1.9
69.06978	2.7
70.06503	44.9
71.04914	0.5
72.08062	10.9
74.02393	0.4
74.05968	0.9
75.65587	0.4
76.02129	4.4
79.05418	3.8
79.80070	0.4
81.06947	0.8
83.04897	0.8
83.06026	0.5
84.04424	9.7
84.08063	11.3
84.95966	0.6
85.02824	2.8
85.06467	0.8
86.09621	100.0
86.98981	2.5
87.09946	0.7
88.03905	2.3
91.05418	3.7
93.04456	0.7
93.06956	2.8
95.04860	0.9
95.06026	0.7
95.08546	1.0
97.02805	1.8
97.06463	4.1
98.97504	4.5
99.04382	0.7
102.05458	4.2
103.05429	1.8
104.05266	13.7
105.00025	2.2
105.06970	3.1
106.64661	0.4
106.94398	0.4
107.04903	1.6
107.08527	14.0
109.06454	1.0
110.06423	0.8
110.07111	12.6
111.08053	0.7
113.07060	5.2
115.08578	0.6
116.07034	27.8
116.98560	5.5
117.06961	2.0
118.06480	0.6
120.08048	44.4
121.06466	2.1
122.02686	5.1
122.06814	0.6
122.60192	0.4
123.08004	0.9
125.09604	0.5
127.08585	3.3
128.98572	2.0
129.10190	5.5
130.04977	0.7
130.06497	3.5
132.04402	0.6
133.03162	8.4
134.99629	5.2
135.08011	21.6
136.07542	1.0
137.05949	0.9
143.11766	33.4
146.05965	0.9
146.99648	2.5
149.06006	0.7
150.05804	16.4
153.09036	3.9
155.08144	0.9
157.07574	0.7
158.05951	2.5
158.99622	0.8
161.01146	0.6
161.07385	0.7
161.09528	0.6
163.07484	0.8
166.06227	0.5
171.09941	0.6
171.11270	6.5
171.46080	0.5
173.09210	0.6
175.08559	5.5
177.00632	5.3
177.10176	8.2
179.07002	0.6
181.08545	0.5
189.00716	0.8
194.07982	0.5
195.01729	0.6
199.09679	1.0
203.10637	0.8
205.09778	0.6
207.01816	0.6
207.10144	1.8
219.01653	0.5
221.09068	3.2
237.02724	0.6
267.12146	0.8
279.03934	2.2
289.63040	0.5
303.11969	1.9
320.16202	1.0
321.12918	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01803	0.5
55.05454	4.4
56.04971	7.4
56.96496	1.7
57.05757	0.6
60.04467	0.7
61.01068	2.2
67.05425	0.7
69.03333	0.7
69.06985	16.5
70.06506	22.9
72.08069	13.1
73.15981	0.5
74.05985	3.0
79.05399	1.0
81.06979	0.7
83.08490	0.5
84.04424	4.4
84.07593	0.9
84.08065	18.8
85.02828	2.4
85.03951	1.8
85.08355	0.5
86.09624	100.0
87.02609	0.7
87.09966	0.6
88.03912	13.3
91.05401	2.6
92.10294	0.9
93.06981	0.8
97.02850	0.5
97.03957	3.8
98.97511	5.7
101.07092	0.5
102.05473	2.7
103.05383	0.8
104.05249	5.9
107.04909	1.1
107.08511	1.0
110.07126	4.8
112.08650	0.6
113.07062	6.2
115.05431	0.9
115.08637	0.7
116.07076	3.5
116.98589	4.8
117.06993	0.9
118.06464	7.8
119.04914	1.0
120.08074	7.2
121.06416	0.7
128.10634	0.6
128.98582	0.7
129.10187	7.6
130.05026	0.6
130.06493	19.8
130.08606	0.8
132.08067	10.1
133.03169	5.3
134.99657	3.7
135.08066	0.8
137.05960	5.6
139.03877	3.4
142.06496	1.1
143.04523	4.7
143.11769	1.8
144.08069	8.4
146.05988	33.4
146.99637	2.2
147.06331	0.6
150.05788	12.1
151.07451	0.9
153.05424	3.2
154.06439	1.1
158.08345	4.8
158.99644	2.1
159.07632	3.8
159.09155	8.1
160.07561	1.0
161.01172	0.6
161.07422	1.1
169.07584	4.0
170.05992	6.7
171.09125	1.6
171.11255	4.5
173.09187	1.2
173.12846	2.0
177.00658	3.5
181.08611	1.1
182.05943	0.8
185.10793	0.5
187.08684	0.7
188.07030	36.2
189.00708	2.1
205.09648	5.6
207.01633	0.5
207.07915	6.9
211.08691	0.6
215.08185	0.7
239.08224	0.8
243.07645	1.8
260.10281	0.7
261.03082	0.6
274.11826	5.0
279.03741	1.9
285.08716	2.4
302.11386	2.6
320.12387	6.9
320.16281	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74009	0.5
52.88421	0.5
54.77201	0.5
54.81866	0.8
55.05451	0.6
57.13771	0.5
69.06977	0.8
70.06507	2.8
71.01261	4.2
84.04433	0.9
84.08065	1.4
89.02324	1.6
91.05389	1.3
92.64490	0.7
94.06490	3.1
94.56693	0.7
95.08533	0.8
98.02351	1.0
110.07076	1.0
115.05395	4.6
117.05697	1.2
118.06488	21.2
122.05970	1.1
130.06494	100.0
130.30762	0.7
132.08055	41.8
132.09055	1.5
136.07550	10.3
142.06511	11.5
143.07289	1.0
144.08081	8.9
146.05983	33.0
147.04317	2.5
156.08122	0.7
157.07535	1.2
158.05972	2.9
158.08363	2.8
159.09151	65.3
160.07581	7.9
164.07043	11.7
168.08044	3.5
169.07552	9.4
170.05971	24.4
181.02971	0.6
182.08107	4.5
183.09142	1.0
184.07513	5.5
185.07043	3.9
187.08652	5.4
188.07034	27.3
193.07484	1.3
195.09131	3.5
196.07523	3.1
197.07068	3.8
211.08629	6.4
212.07117	1.3
215.08191	1.3
221.07059	8.6
239.08060	9.5
249.50070	0.8
257.09174	10.2
267.07596	0.9
275.10205	34.1
285.08554	6.0
303.09698	8.4
321.10654	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	321.108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05458	1.0
56.04977	1.1
56.96500	3.0
58.78680	0.5
60.04448	1.3
61.01066	0.9
62.38058	0.5
66.63910	0.5
66.79937	0.5
67.05425	1.1
69.03326	0.8
69.06992	2.6
70.06513	14.5
71.01273	14.8
72.08060	4.9
74.05973	0.7
79.05415	0.8
81.06950	1.1
84.04428	4.4
84.08066	12.7
85.02828	0.8
85.08345	0.5
86.09631	16.7
87.09953	1.0
88.03922	2.6
89.02317	5.4
91.05399	1.1
93.06960	0.7
95.08580	0.7
98.97513	3.4
99.00768	2.7
103.05412	1.0
105.06952	0.6
106.02184	0.7
107.08550	0.9
110.07123	8.6
115.05431	4.8
116.07078	0.7
116.98555	3.6
117.05679	2.6
117.06982	1.1
118.06491	21.2
120.08057	4.7
122.06047	2.2
128.98553	0.9
129.10204	4.6
130.06487	48.0
131.06827	0.8
131.08583	0.9
132.08051	47.5
134.99632	1.4
136.07567	1.5
137.05984	0.9
142.06490	10.7
143.07242	1.4
144.08055	12.8
145.10152	0.7
146.05980	49.1
146.99596	0.7
150.05539	0.7
158.08366	2.5
158.99614	1.1
159.09143	100.0
160.07539	9.9
169.07553	3.0
170.05971	19.0
177.00708	3.0
177.90367	0.6
183.14905	0.6
185.07068	9.1
187.08630	4.0
188.07025	42.0
205.09729	4.2
209.10358	1.0
211.08621	1.5
229.09663	2.8
232.07004	1.4
237.02617	0.9
243.11234	1.4
257.09152	4.0
275.10190	38.3
285.08649	3.3
303.09598	1.3
303.13022	1.0
321.10458	2.6
321.13968	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1329
Annotation	Conchosin B
Peak:m/z	Relative Intensity
55.05433	12.0
56.96492	5.6
57.03345	2.9
67.05411	13.6
69.03333	5.1
69.06976	12.1
79.05394	23.2
81.03291	3.6
81.06982	26.1
83.04896	3.2
85.02823	3.6
91.05408	28.1
93.06947	23.1
95.04895	26.1
95.08518	13.9
97.06414	3.8
98.97496	13.4
99.11671	2.6
103.05354	3.6
105.06968	87.2
107.08541	24.1
108.84222	2.6
109.06461	13.5
109.10098	14.1
111.04388	4.5
115.05390	2.9
116.98562	18.8
117.06948	25.5
119.04848	4.2
119.08540	26.0
121.06463	21.2
121.10104	5.5
123.04324	3.1
128.06186	4.7
128.98528	3.4
129.06943	18.3
130.07739	4.1
131.04903	4.4
131.08531	37.6
133.06413	11.0
133.10066	11.3
134.99631	18.7
135.07979	16.3
137.05960	3.6
139.03896	5.1
141.06955	11.5
142.07768	5.6
143.08571	25.2
144.09315	17.0
145.06419	15.7
145.10088	55.4
146.99597	5.4
147.08015	11.2
147.11635	6.4
149.05960	5.3
149.09540	5.9
154.07748	5.7
155.08482	5.2
156.09268	4.4
157.10048	15.3
158.07181	3.3
158.99535	5.8
159.08023	22.5
159.11650	100.0
159.12968	3.3
161.01112	3.3
161.05923	4.2
161.09532	12.9
161.13176	3.5
163.07523	4.6
163.11113	14.3
167.08574	2.9
169.10083	16.9
170.99550	3.2
171.08023	4.1
171.11650	5.0
172.08781	5.6
173.05994	4.8
173.09557	31.9
175.07367	3.8
175.11102	5.1
177.00705	24.3
177.05392	3.9
177.12750	6.2
179.03374	3.7
182.07314	2.8
187.07489	47.9
187.11143	57.3
188.07895	20.3
189.00656	6.0
189.09064	2.9
191.10556	3.4
197.09518	5.9
200.08223	4.3
201.08972	4.4
205.12160	11.4
215.06998	20.8
215.10577	56.5
216.07434	3.1
219.01694	4.7
219.10114	10.7
219.13678	21.9
228.07680	3.9
233.11685	47.3
237.02640	5.3
243.10086	40.3
247.13206	4.5
261.11172	63.8
275.12717	10.6
289.10629	17.5
293.13748	15.0
303.12158	12.6
304.12503	6.4
321.13254	53.4
321.16803	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	321.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44747	0.7
52.90143	0.7
55.01807	1.9
56.04969	2.3
56.96499	18.7
57.03354	4.6
60.04451	5.0
60.94155	0.8
61.01069	1.6
64.48626	0.8
68.04960	1.0
69.03348	9.6
70.02866	1.3
70.06493	4.8
72.04408	2.1
73.02814	2.2
74.06019	1.0
74.97536	0.9
76.55947	0.8
81.03342	2.1
81.17455	0.9
84.04420	11.1
84.95947	1.2
85.02818	8.2
86.09635	2.1
96.04401	7.3
97.02821	25.9
98.05991	4.2
98.97502	10.4
99.04375	2.1
100.03944	1.6
102.05477	1.3
104.05277	1.7
108.04449	1.7
109.02901	0.9
114.05449	1.1
115.03882	4.9
116.07011	1.4
116.98569	11.9
117.05702	4.9
117.06959	1.6
118.06491	10.2
126.05482	3.6
127.03892	7.2
128.98553	1.4
129.06960	2.0
130.06487	42.3
132.08054	34.0
134.99623	8.8
142.06511	3.5
142.68138	1.0
143.07271	9.3
144.06551	13.1
144.08054	58.9
145.04959	1.4
146.06012	4.6
146.99571	2.0
153.00616	1.5
154.06488	15.6
155.07234	1.1
156.06755	6.7
156.08064	12.3
157.07571	7.1
158.05969	1.7
158.08356	41.7
158.99596	4.3
159.09132	30.9
160.07547	5.0
161.01120	3.1
162.07568	34.7
168.08044	5.5
169.07547	13.0
170.06001	1.5
170.08308	2.1
171.09128	42.4
172.06116	1.9
172.07561	1.5
172.09883	1.7
173.01216	2.2
174.02197	2.2
177.00647	7.1
180.08003	2.3
182.08354	3.4
183.09134	21.0
184.07489	3.9
188.06996	1.8
189.00667	2.2
192.03244	16.1
195.09178	4.5
196.07597	1.3
201.00662	1.5
201.10167	2.0
206.04857	4.6
207.09186	3.7
210.04332	6.0
210.09077	1.9
213.10234	3.4
215.04863	5.2
217.06361	3.0
219.01649	4.2
219.09138	1.1
221.10823	1.3
225.10081	1.9
233.05928	6.5
235.07448	5.5
237.02766	1.7
237.10120	1.1
258.11160	1.3
261.02844	1.7
261.05396	15.2
267.11224	1.8
279.03799	2.3
279.06470	18.8
285.12277	6.6
303.06339	4.6
303.13327	100.0
321.14337	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	321.1692
Annotation	alpha-Zearalenol
Peak:m/z	Relative Intensity
55.01805	34.7
56.96506	26.9
67.05422	11.0
69.06977	27.3
70.99527	6.3
73.55299	6.6
83.04906	6.1
92.10252	8.4
93.41488	6.6
95.08516	10.4
98.97513	51.6
105.06924	10.6
109.10112	7.3
116.98582	58.7
119.62264	6.3
128.98550	16.1
131.08507	7.6
133.10117	7.1
134.99641	44.1
135.08049	9.7
137.59294	6.4
142.29448	6.9
145.10130	6.5
146.99623	10.9
149.01140	7.1
149.06041	7.3
149.09599	16.4
158.99651	26.7
161.01173	8.1
161.09586	32.2
172.08725	9.3
175.07520	15.0
177.00653	48.9
185.12892	7.2
187.11136	41.9
189.00729	14.5
189.09073	100.0
191.07018	60.7
193.04955	37.2
193.08548	12.4
201.00591	8.4
201.09094	13.9
202.09860	10.0
205.08611	43.2
209.09537	8.7
215.10699	12.6
217.08578	70.9
222.62047	6.8
224.11942	14.8
229.12265	8.3
229.15959	7.1
230.12967	8.3
231.10127	16.4
232.11063	9.3
242.09317	7.2
243.13736	13.7
249.56250	8.0
252.11407	7.3
257.15405	23.8
267.13812	9.0
279.03845	8.4
285.14841	68.5
303.15894	86.1
321.16675	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	321.242
Annotation	19(R)-HETE
Peak:m/z	Relative Intensity
53.03861	1.6
55.05219	1.5
55.05445	26.5
56.96483	1.7
57.03357	2.0
57.06986	7.3
59.04939	8.8
67.05425	32.4
67.05805	1.8
67.14123	1.1
68.17426	1.0
69.06980	23.6
71.04891	3.0
79.05400	24.7
79.98158	1.1
81.06516	1.8
81.06971	41.5
83.04881	1.5
83.08537	21.5
83.49225	1.2
85.06454	2.4
91.05399	47.1
92.64875	1.3
93.06963	52.7
93.53832	1.3
95.04877	6.9
95.08524	56.8
97.06461	1.6
97.10074	5.1
98.97491	2.0
99.08011	1.9
105.06966	47.1
107.08529	48.7
109.10097	83.0
111.11650	1.4
113.09549	2.5
115.05379	2.5
116.98544	2.8
117.06952	44.6
119.07669	1.8
119.08525	42.2
121.06446	2.0
121.09303	2.0
121.10081	30.0
123.08027	1.8
123.11627	12.9
123.78179	1.2
127.11143	11.9
128.06152	6.1
129.06961	24.1
131.08521	89.1
133.10089	36.3
134.99617	5.1
135.11641	41.9
137.09608	1.8
137.13217	6.5
141.06961	5.2
142.07709	4.6
143.08528	53.7
145.10081	41.9
146.10451	1.1
147.07997	2.4
147.11627	21.3
149.09567	2.5
149.13211	7.9
153.12662	2.4
155.08505	15.4
156.09282	4.9
157.10085	39.4
158.10771	1.3
159.11668	33.4
161.09576	2.2
161.13225	7.9
163.11160	2.1
163.14728	5.0
169.10095	15.7
170.10828	1.4
171.11641	26.5
173.09627	2.2
173.13205	33.2
175.11142	2.7
175.14795	6.3
177.00658	4.9
177.12653	2.3
183.11653	22.7
185.13191	15.5
187.11095	1.3
187.14754	13.9
189.12720	9.4
189.16327	2.6
191.14224	7.8
197.13190	18.9
199.14795	10.8
201.12724	7.2
201.16348	9.4
203.14267	2.6
207.13860	1.4
211.14751	12.8
213.16338	6.1
215.14218	9.8
215.17758	1.6
225.16302	10.6
227.17924	20.3
229.15723	7.2
229.19466	7.3
239.17879	10.2
243.17346	1.7
245.18967	1.6
255.20975	1.3
257.22537	6.5
267.20987	35.5
285.22046	100.0
303.19907	1.7
303.23096	37.2
310.24918	1.3
321.20758	1.8
321.24155	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	321.242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79725	4.4
52.09610	3.6
55.01796	4.5
55.05444	26.2
56.96495	10.7
57.03370	4.5
57.06995	8.8
61.11505	4.0
62.08134	4.5
67.05410	19.0
69.06982	40.7
77.24381	4.5
79.05403	20.6
81.06969	52.3
83.04906	4.5
83.08535	19.5
85.81367	4.9
91.05396	43.9
92.10342	5.7
93.06959	42.9
95.04899	9.9
95.08523	63.4
95.09086	5.8
97.10126	6.4
98.97516	28.2
105.06952	71.9
107.08514	38.4
109.06492	7.8
109.10120	34.4
111.04444	4.6
113.42680	4.0
116.98548	33.0
117.06953	25.9
117.98882	5.9
119.08543	50.6
121.10077	22.4
123.07990	5.3
123.11678	24.1
124.57764	4.3
127.67921	4.5
128.98651	4.5
129.06908	34.1
131.08517	48.3
133.10074	41.6
134.99609	39.4
135.08055	5.6
135.11674	10.5
137.09563	6.4
137.13258	7.1
141.06941	5.2
143.08548	43.4
145.10085	52.5
146.99602	8.8
147.08005	6.1
147.11655	29.4
149.01125	7.1
149.09544	4.5
149.13173	7.6
153.00702	5.3
155.08530	23.2
157.10063	48.6
158.99562	16.8
159.11674	31.8
161.09546	6.8
161.13240	18.5
166.24667	4.7
169.10101	24.2
171.11671	28.5
173.13225	31.0
175.11162	5.8
175.14705	8.6
177.00662	37.7
178.01031	5.1
183.11571	17.7
185.13217	18.7
187.14799	27.1
188.78320	5.1
189.00580	5.7
189.12767	10.2
189.16324	7.1
195.01723	9.2
197.13246	26.7
199.14772	10.1
201.12738	8.4
211.14832	8.1
213.16180	4.9
215.14250	10.2
227.17780	6.0
229.15881	6.6
239.18015	8.3
241.19684	5.1
245.15404	6.3
257.18903	17.4
267.20990	54.4
268.17847	4.5
276.60489	4.9
280.04285	6.3
285.22061	100.0
303.23236	9.5
321.16721	7.4
321.20251	9.6
322.23575	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	321.2422
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
54.81838	2.4
55.01798	2.7
55.05440	12.9
56.96487	4.3
57.07008	4.7
57.91156	2.1
65.08794	2.6
66.78170	2.0
67.05415	11.8
69.06982	9.7
71.08519	2.2
79.05408	5.4
81.06975	16.8
83.08521	2.6
85.06483	2.5
91.05408	4.4
93.06928	5.8
95.08531	13.1
98.97501	10.7
104.99176	3.8
105.06939	4.8
106.53858	2.8
107.08518	4.4
109.06456	35.4
109.10087	4.4
116.98545	4.5
119.08507	3.9
121.10094	4.2
123.07107	3.6
123.08008	99.5
123.11645	2.7
133.10065	3.0
134.99588	9.8
135.07971	11.1
137.09503	3.4
146.99582	2.8
147.11659	2.6
176.40596	2.6
179.14265	100.0
192.91109	3.6
210.92137	5.0
234.91992	3.7
265.17941	18.4
321.24133	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1759
Annotation	Gly Phe Val
Peak:m/z	Relative Intensity
55.01814	0.3
55.05449	2.6
56.04963	1.1
56.96498	1.5
57.03365	0.5
61.01066	0.3
67.05428	0.6
69.06990	0.6
70.06509	7.1
71.04906	0.4
72.08067	11.6
73.72264	0.2
76.56670	0.3
77.68932	0.3
79.05423	0.5
81.03333	0.4
81.06987	0.3
83.04876	0.5
84.04430	1.8
84.08059	3.9
85.02830	0.6
86.09625	6.0
87.05558	0.3
88.03902	0.6
91.05409	2.1
93.06956	1.8
95.04916	0.5
95.06024	0.5
95.08540	0.5
97.02831	0.4
98.97511	1.2
99.27234	0.3
102.05347	0.3
103.05410	2.4
107.08538	0.5
109.10102	0.3
110.07108	3.2
111.04431	0.4
112.08680	0.7
113.07064	0.6
115.08624	0.4
116.07026	0.5
116.98576	1.9
118.08595	1.8
119.08546	0.5
120.08057	100.0
121.08389	1.2
122.06003	0.5
123.07940	0.4
128.98598	0.3
129.10214	2.0
130.06567	0.3
131.08575	0.3
134.99608	1.3
135.08035	0.5
136.07619	0.5
137.05957	1.5
158.99625	0.3
161.01196	0.4
175.07404	0.4
177.00757	0.6
177.10191	21.6
178.10548	0.4
196.79988	0.3
205.09720	4.7
205.11835	0.4
208.87433	0.3
228.76241	0.3
265.15277	0.4
281.08536	0.4
283.94241	0.3
295.17664	0.4
322.20972	1.1
339.11258	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1867
Annotation	Arginylphenylalanine
Peak:m/z	Relative Intensity
55.01805	0.8
55.05448	0.7
55.61385	0.4
56.04975	2.7
56.96498	0.9
57.03379	0.5
58.06554	0.5
58.99520	0.4
60.05305	0.8
60.05583	12.8
69.03336	0.6
69.07017	0.6
70.06510	100.0
71.04920	1.8
71.06837	0.6
72.08074	5.8
74.06003	4.8
76.02137	0.9
78.94485	0.5
80.04935	1.7
83.06025	0.7
84.04430	4.2
84.08074	5.8
84.38074	0.4
84.45496	0.5
85.02829	3.3
85.07577	1.0
86.09640	2.0
88.03935	0.6
88.07573	0.5
91.05403	2.2
92.10265	1.0
93.27325	0.4
95.06049	0.5
97.02825	0.7
97.07590	2.8
98.05993	3.1
98.97508	1.0
100.07580	0.7
101.07095	1.1
102.05486	0.8
104.05257	2.1
110.05978	0.8
110.07114	3.4
112.07549	1.0
112.08680	11.4
115.08626	1.1
116.07030	4.2
116.98582	1.1
119.01859	0.7
120.08060	9.8
123.05504	27.3
129.10220	2.2
130.08664	0.6
130.09727	2.2
133.03169	0.8
134.99663	0.9
135.04613	0.5
135.05539	3.1
137.05946	2.0
140.08185	1.1
141.06638	0.5
144.04811	0.7
145.09732	2.3
146.90503	0.5
147.03146	0.5
150.05774	1.1
152.03252	0.5
155.08330	0.5
157.10815	0.9
158.09212	3.4
161.02945	2.7
173.02884	0.8
173.09352	0.5
175.11871	10.9
176.68558	0.4
177.00722	0.7
180.07651	2.7
200.10645	1.0
217.13213	0.6
242.12755	0.7
246.11081	0.8
262.15503	0.8
263.13879	2.1
305.15994	4.5
322.18671	31.6
323.11578	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	322.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11157	2.3
53.75384	2.1
56.04964	5.7
56.96492	12.5
57.07019	4.5
58.06524	19.9
71.08553	2.5
72.08065	18.8
76.56818	2.6
81.06979	4.3
92.64745	2.7
98.97504	23.7
99.85227	2.5
99.92454	2.3
105.06990	3.2
116.98576	39.9
118.08578	6.0
132.10168	90.9
134.99606	28.6
153.00751	5.7
161.05927	3.5
161.09619	10.2
177.05489	3.5
189.08992	24.3
207.06528	3.4
230.21109	89.1
241.12134	4.6
258.99713	10.0
277.00665	25.8
305.13858	10.9
322.25854	100.0
327.72491	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	322.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11363	2.9
55.05441	17.6
57.06996	6.3
58.02891	22.7
64.33838	3.6
67.05405	19.0
69.06985	27.3
71.08543	29.6
79.05396	18.0
81.06966	37.7
86.40300	4.3
91.05366	6.0
92.10321	7.2
93.06957	29.0
93.18725	3.7
95.04887	4.6
95.08543	31.0
97.10061	4.6
98.09876	3.3
99.08009	8.1
99.93180	3.9
105.06937	8.4
107.08522	18.8
109.06478	19.6
109.10102	14.7
119.08522	4.7
121.10081	5.5
123.08073	4.2
135.11632	4.3
137.67911	3.4
140.97253	3.9
147.50644	3.7
148.53958	3.9
165.12695	30.9
175.14786	5.6
187.21324	3.6
207.62880	3.9
210.27446	3.6
220.17746	3.9
224.20032	9.3
291.23019	44.4
305.24716	4.5
322.23788	4.5
322.27338	100.0
322.30920	4.7
324.55377	4.1
325.64862	3.7
344.35220	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	322.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48850	1.8
55.05443	8.4
57.06965	1.9
62.06013	100.0
62.06335	3.5
67.05425	27.5
69.06989	5.3
79.05409	15.4
81.06976	20.2
91.05418	8.8
93.06968	13.5
95.08524	9.5
98.97533	5.1
104.55148	2.2
107.08537	4.3
109.10081	3.4
116.06967	2.0
116.98560	14.3
117.06961	2.5
119.08570	2.4
121.10112	3.5
128.43665	2.2
134.99608	14.1
147.49231	2.2
258.99625	5.4
277.00677	12.8
318.76788	2.4
322.27414	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	323.16
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	0.8
56.96507	0.6
67.05434	0.6
67.83120	0.3
69.06996	0.5
70.06506	3.2
71.04919	0.4
72.08083	1.7
79.05405	3.4
80.04934	0.3
81.05708	3.1
81.06979	2.7
84.08072	1.9
85.02832	0.7
86.09620	2.4
87.09953	0.4
91.05412	1.5
92.10194	0.6
93.06980	0.8
94.06511	0.6
94.07270	0.3
95.04895	1.5
95.08574	0.4
96.08054	10.6
98.97516	1.3
103.05392	0.4
105.06972	0.4
106.06532	1.6
108.08084	0.6
116.98597	2.0
120.08070	0.7
121.85869	0.4
122.05956	0.6
124.07547	32.1
126.05479	0.7
130.06519	0.6
134.99615	2.3
136.07550	81.8
137.05917	0.4
137.07869	0.4
138.09114	1.9
140.07034	2.3
146.06129	0.5
153.00746	0.5
157.12956	0.3
164.07024	100.0
165.07343	0.4
182.08090	34.6
191.24158	0.4
193.04892	0.8
277.00647	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19184	1.9
54.81709	2.5
65.03564	2.1
67.05414	10.0
68.89672	2.3
81.06960	4.4
87.59552	2.1
88.39651	2.1
95.08578	3.1
113.37976	2.1
226.85443	2.4
322.13235	2.7
323.19501	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	1.1
55.01810	1.7
55.05451	17.0
56.04972	13.0
56.96497	6.3
57.03375	2.9
67.05426	40.8
69.06986	15.0
70.06503	12.1
71.04900	8.6
72.08084	1.4
75.35017	1.1
79.05400	27.3
81.06976	43.0
82.06496	16.7
83.04916	6.8
83.08534	11.7
83.69934	1.3
84.08061	7.7
85.02797	1.4
85.06472	7.6
86.09654	4.4
91.05405	25.9
92.05765	1.4
93.06969	31.0
94.06503	1.4
95.04889	2.9
95.08534	33.1
96.08054	4.9
97.02860	1.1
97.06467	7.7
98.09631	30.0
98.97514	11.0
100.07552	1.9
105.06976	26.9
107.08546	17.6
108.08077	1.8
109.06458	2.4
109.10116	12.3
110.05998	2.0
110.09635	12.1
111.04379	2.8
111.08059	9.5
112.99628	1.3
116.98586	15.1
117.06960	1.6
119.08537	26.1
120.08051	1.4
121.10084	5.4
122.09624	5.1
123.08020	2.3
123.10419	2.1
128.07054	1.7
133.10103	12.2
134.99617	14.2
135.11678	10.0
135.64256	1.1
136.11198	4.8
137.09601	2.3
139.58443	1.2
149.13237	2.7
150.12776	2.5
153.00691	1.6
161.13231	19.1
167.14294	4.8
168.17467	2.0
176.14386	1.9
177.00722	1.7
178.15860	34.5
179.14265	5.2
195.18555	6.6
196.16940	28.3
199.65236	1.2
219.14336	1.4
241.79655	1.5
242.72906	1.2
258.99823	1.9
277.00784	12.4
287.20990	1.9
288.19162	1.5
305.22220	36.1
323.14841	1.9
323.23242	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.233
Annotation	chinese bittersweet alkaloid II
Peak:m/z	Relative Intensity
50.26145	0.5
50.54519	0.5
50.71423	0.4
51.49862	0.4
55.05447	2.6
56.04978	0.8
56.96503	1.3
57.03383	0.5
57.95932	0.6
61.44185	0.5
62.06033	0.5
67.05418	3.7
69.03352	3.2
69.06979	1.4
70.06503	1.5
71.04944	0.7
72.04433	15.2
72.08071	2.6
74.05988	6.8
79.05409	3.2
80.04926	0.6
81.06979	6.5
82.06490	3.6
83.08543	0.8
84.08073	0.7
86.05981	0.8
86.09629	1.5
91.05398	4.4
93.06984	6.1
94.06503	3.4
95.04898	0.9
95.08540	3.2
96.04482	0.7
96.08073	0.8
97.07539	0.8
98.97509	7.0
100.07545	8.8
103.05399	0.6
105.06995	8.6
107.08537	4.0
109.10095	2.7
110.05984	1.0
110.07143	0.8
111.09183	0.7
112.07578	1.4
112.39034	0.6
114.09155	0.9
116.98559	8.2
117.06974	2.9
119.08521	3.1
120.08041	1.1
121.06363	0.7
121.10065	2.1
123.08031	0.7
123.11660	0.8
124.07567	0.7
128.07056	9.5
129.06949	2.3
131.08525	12.7
133.10066	3.3
134.99617	7.4
135.11682	0.8
137.05942	1.4
138.09135	0.8
141.10216	1.2
143.08575	1.4
145.06465	0.7
145.10054	4.7
146.05943	0.7
146.09599	0.7
147.11665	3.0
151.08650	1.4
151.11209	0.6
153.00687	0.8
155.08472	0.8
155.11786	2.3
157.08873	0.6
157.10063	2.2
158.09624	0.8
158.67397	0.7
159.08040	0.8
161.13286	0.6
165.69173	0.6
167.06935	0.6
169.40147	0.6
170.09651	0.8
171.11313	3.5
173.09532	1.0
173.13240	3.6
174.12775	0.7
181.04977	0.7
183.11427	0.9
184.11116	1.3
189.12671	1.0
190.12445	0.8
191.14301	3.6
201.12715	1.4
202.12280	0.7
205.14630	1.1
206.15367	1.1
216.13812	5.3
218.15398	1.1
230.15474	0.8
231.16173	4.8
232.16882	2.2
234.18420	1.0
236.16367	1.3
244.16870	1.4
252.19383	0.6
257.03061	0.7
262.17953	9.6
277.00735	4.9
280.18979	1.5
323.23245	100.0
324.23700	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01110	1.1
52.10977	1.1
53.00256	1.5
53.03877	1.6
55.01802	3.3
55.05438	8.3
56.04959	3.0
56.46489	1.1
56.96488	1.6
57.03362	6.2
59.04920	2.3
60.04447	2.6
61.02850	9.6
67.05414	2.0
69.03355	17.4
69.06978	2.8
70.06179	1.8
70.06510	21.3
71.04912	3.3
71.08537	8.8
72.08070	15.0
73.02811	2.2
74.05988	3.2
76.18335	1.4
79.05391	6.6
81.03345	9.5
81.06973	47.5
83.08533	1.8
84.04412	8.1
84.08064	28.9
85.02339	2.4
85.02826	61.3
85.06452	9.8
86.09618	17.7
88.03883	1.9
91.05400	2.2
97.02828	21.0
98.39419	1.2
98.97520	2.4
99.04378	5.4
99.08032	16.9
100.07565	1.8
109.02824	3.1
109.06467	47.0
110.07092	9.0
116.98552	3.3
117.09093	1.7
120.08080	10.4
127.03909	11.7
127.06602	2.8
127.07512	63.3
128.23941	1.3
129.10194	7.4
130.06488	2.5
134.99634	1.6
145.04944	10.2
145.08578	100.0
158.99564	1.4
163.05786	1.8
271.04355	1.5
301.09561	1.8
324.10529	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	324.2166
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
53.03867	0.6
54.17796	0.4
54.82687	0.5
55.01802	0.5
55.05452	1.8
56.96495	0.7
57.06998	0.5
58.91224	0.4
67.05428	4.1
69.06984	13.6
76.10525	0.5
79.05410	3.7
81.06972	8.8
81.26326	0.5
83.04893	5.8
84.92311	0.5
85.02823	0.6
86.09624	100.0
91.05399	11.2
93.06976	12.2
95.04885	3.7
95.08528	2.9
97.06463	0.6
98.97504	3.0
105.06970	18.8
107.08518	3.8
109.06455	10.6
109.10115	1.1
109.22328	0.5
111.08036	3.7
112.52911	0.4
116.82236	0.4
116.98558	4.0
117.06979	0.9
119.08520	5.0
121.10100	0.5
123.08031	1.1
123.11723	0.5
128.10669	2.8
129.06970	1.9
131.08513	4.4
131.36949	0.4
132.09431	0.4
132.10172	16.4
133.06461	2.1
133.10091	18.4
134.99649	3.9
135.80571	0.6
147.11646	9.6
149.09663	1.1
149.13187	0.8
151.07576	3.4
151.11147	23.5
165.12753	1.0
175.11171	2.4
177.02975	0.6
189.00700	0.6
193.12260	2.2
201.17162	0.5
216.05365	0.4
219.01830	0.6
222.14998	0.6
260.20105	3.2
278.00974	2.4
278.21078	14.7
279.00580	1.1
279.09280	0.9
297.44357	0.4
306.20609	3.0
307.22812	0.4
324.21661	11.8
325.34250	0.6
343.17395	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66969	0.9
53.03887	1.3
54.36719	0.9
55.01811	86.8
55.05194	1.3
55.05449	36.5
56.96490	7.1
57.03365	1.2
57.06998	1.4
67.05416	2.2
69.03341	5.5
69.06968	1.6
70.02871	1.4
70.06505	6.7
71.04927	1.0
72.04054	2.0
72.04427	30.1
72.08051	1.8
79.05394	2.2
81.03305	1.5
81.06957	2.1
82.24562	1.1
83.04903	2.4
83.08541	29.4
84.04422	100.0
84.08064	5.3
85.02811	9.8
86.09618	2.7
91.05411	2.0
93.06943	1.1
97.02837	2.6
97.83045	1.5
98.09593	2.7
98.97497	10.0
100.11178	80.0
105.06980	2.3
111.04403	5.0
116.98577	12.0
120.08065	1.6
126.09087	2.6
127.03854	2.3
129.06821	1.3
131.04880	2.4
134.99614	6.2
135.04359	1.0
135.08040	2.0
137.05969	16.2
137.26729	1.5
137.32921	1.2
138.06253	4.6
141.97327	1.2
146.05942	1.5
154.12238	86.1
156.90709	1.3
158.99568	1.2
163.07578	1.6
163.82607	1.2
171.14908	1.7
175.07458	4.5
177.00687	2.2
182.15387	10.8
192.06445	1.3
210.14818	12.7
224.02333	5.4
228.15898	7.2
253.19095	2.5
261.10168	6.1
261.36676	1.3
281.18527	67.9
333.87698	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2894
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
50.44804	1.8
54.00726	1.8
54.66075	1.9
55.05434	10.9
57.56568	1.9
57.86034	2.0
60.01545	1.8
61.44410	2.1
62.06015	100.0
67.05425	31.5
69.06977	10.4
79.05392	4.4
81.06971	24.0
81.91456	2.3
83.08512	3.5
93.06986	4.7
95.08529	19.1
109.10116	5.0
121.10258	2.4
296.94403	2.2
324.28741	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	324.2893
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
53.27567	1.5
55.05455	14.0
57.07010	1.6
60.77592	1.4
62.06017	100.0
67.05128	1.8
67.05432	33.6
69.03315	2.1
69.06991	15.4
75.38531	1.5
79.05394	7.7
81.06975	28.7
83.08537	2.3
91.05425	2.1
93.06970	12.7
95.08527	25.5
95.95506	1.7
102.59121	1.5
105.06976	2.7
107.08524	4.0
109.10075	10.4
119.08470	1.7
127.04028	2.1
137.09602	2.7
147.26685	1.5
163.14751	2.2
165.12686	6.7
228.37500	1.8
289.21542	2.6
307.26608	1.9
324.28998	13.2
325.15732	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.3257
Annotation	N-Cyclohexanecarbonyltetradecylamine
Peak:m/z	Relative Intensity
57.07000	5.8
69.06972	5.3
71.08542	2.7
84.08045	1.5
86.09624	45.0
111.13525	1.1
119.37128	1.1
133.37004	1.1
156.13832	1.6
270.01147	1.3
270.53055	1.1
324.32547	100.0
325.32849	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09942	2.6
52.83434	2.7
53.00234	4.6
55.05441	18.7
56.88047	2.8
57.07004	21.9
57.49322	2.7
67.05438	3.5
69.03325	3.7
69.06987	26.2
71.08549	50.0
75.77732	3.1
76.56018	3.1
83.08539	14.2
86.88271	3.9
88.11178	47.6
89.15070	3.4
90.40319	3.1
92.10220	4.0
92.63831	4.2
93.06950	3.8
97.06470	4.7
97.10112	3.8
109.10194	3.7
112.23026	3.8
115.13956	3.1
123.25477	3.4
135.83286	3.6
156.13818	5.6
239.00694	3.6
246.02318	3.1
290.56949	3.9
324.32529	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82502	0.6
53.03885	3.2
53.14273	0.7
55.01812	5.1
57.03375	8.5
59.04917	1.0
60.04456	1.0
60.33826	0.6
61.02851	12.9
62.06004	6.5
63.06352	0.8
64.33157	0.7
69.03347	26.2
70.06503	4.6
71.04892	3.5
72.08061	0.6
73.02830	6.5
74.05984	1.1
75.86971	0.7
78.80490	0.8
81.03344	6.8
84.04416	1.6
84.08064	6.6
85.02823	100.0
86.09627	6.7
87.04382	1.8
88.45187	0.8
91.03882	5.0
96.04410	0.8
97.02819	22.0
97.85493	0.7
99.04391	4.5
101.02313	1.7
109.02836	8.0
115.03907	1.6
120.08052	10.8
121.08391	3.1
126.79026	0.7
127.03870	21.5
127.11217	1.1
129.10228	3.2
131.49289	0.7
145.03409	0.7
145.03790	1.2
145.04924	16.7
147.31586	0.7
163.01720	1.0
163.06015	1.4
177.10225	1.3
270.32382	0.8
284.10986	16.7
343.39041	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	1.9
55.01804	3.3
55.99932	0.7
56.73424	0.6
57.03372	9.6
59.04936	1.1
61.02852	11.5
61.35936	0.8
64.33913	0.9
64.98768	0.7
69.03346	24.9
71.01264	0.9
71.04906	1.8
73.02819	6.0
81.03328	10.2
84.08063	1.1
85.02825	100.0
86.09612	1.2
87.04388	3.9
87.75659	0.8
91.03876	4.6
91.59106	0.7
97.02817	23.4
99.04359	7.3
100.22319	0.9
101.02304	1.9
109.02820	7.0
115.03891	1.2
120.38466	0.9
127.03876	21.0
145.04927	18.2
163.05988	4.5
184.31329	1.0
215.60507	0.8
308.58633	0.8
325.08832	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82331	1.6
54.93143	1.1
55.01805	3.1
55.05444	1.4
56.04966	2.8
56.96494	10.7
57.03362	11.3
58.79465	1.3
60.04465	4.9
61.02850	2.5
64.24511	1.1
67.05424	5.6
69.03351	19.6
69.07008	1.6
70.06515	23.4
71.04915	3.1
72.08079	12.2
73.02837	1.5
74.05989	2.4
75.32749	1.1
81.03329	5.6
81.06989	5.3
84.04434	11.8
84.08067	27.4
85.02827	40.9
86.09170	1.7
86.09624	14.0
88.03915	1.7
91.05407	1.7
95.06015	1.3
97.02812	13.3
98.97513	3.2
99.04397	5.3
109.02818	2.5
109.06461	1.5
109.10104	6.8
110.07114	8.6
112.08659	2.0
113.07066	1.9
116.98576	7.3
117.09090	3.0
120.08067	5.3
127.03890	19.0
127.07552	2.7
127.11158	2.8
129.10188	11.4
134.99625	7.6
145.04947	8.5
158.99707	1.3
159.03278	5.4
173.01155	1.8
177.96434	1.4
184.02759	9.4
197.05968	9.2
199.07698	1.7
201.00696	2.3
202.03839	6.2
206.28104	1.2
215.06964	8.9
217.08588	6.8
219.01714	1.7
223.01048	1.5
232.86343	1.2
235.09644	7.1
247.11090	1.4
263.10703	4.6
265.12195	15.3
281.11514	2.2
283.13208	72.6
301.14264	100.0
324.15878	2.6
325.14313	36.3
343.15265	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	325.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	2.9
55.01804	2.5
55.05449	13.0
56.04975	11.8
56.96497	5.6
57.03139	1.3
57.03375	23.3
59.04913	2.0
60.04453	3.1
61.01070	2.4
61.02837	5.9
65.03866	2.0
67.05429	2.3
69.03355	14.0
69.06980	4.9
70.02847	1.2
70.06142	2.4
70.06512	56.5
71.04916	12.3
71.06837	1.9
71.08559	15.2
72.08067	24.3
73.02812	1.7
74.05966	2.5
75.04369	1.5
76.56261	1.1
79.05403	12.6
81.03329	5.2
81.06512	2.2
81.06977	58.2
82.07288	1.9
83.04879	2.4
84.04014	1.4
84.04430	23.3
84.07601	2.0
84.08067	43.9
85.02341	2.3
85.02828	47.3
85.06452	6.7
85.08407	2.1
86.09634	20.8
88.03903	4.7
91.05408	5.3
97.02825	14.0
98.97514	2.6
99.08033	43.2
101.02303	2.4
102.05461	2.5
103.05389	2.6
105.06969	7.2
109.02811	2.6
109.05731	1.8
109.06469	44.6
110.07130	14.1
110.58068	1.3
112.08654	2.8
115.05436	2.1
115.08603	3.0
116.07016	8.8
116.98554	5.1
117.09087	100.0
118.09369	1.9
119.04858	2.3
120.08074	10.8
126.05503	1.7
127.03908	10.0
127.07520	58.5
128.98605	2.4
129.10207	19.0
130.06548	4.7
130.08591	1.6
132.08064	29.2
134.99628	2.1
136.07529	7.3
145.04924	3.1
146.99588	1.8
163.09642	8.4
175.11797	1.7
179.03316	2.0
194.24686	1.4
205.08470	1.6
217.61043	1.3
235.09631	2.7
237.02740	2.5
273.04288	1.6
280.11707	3.0
325.12735	2.3
326.12042	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2112
Annotation	5,6-dehydro Arachidonic Acid
Peak:m/z	Relative Intensity
55.05406	3.4
58.77522	3.6
61.18369	3.4
73.21995	3.7
111.70516	4.0
128.78354	3.5
205.68121	4.2
313.86151	4.0
325.21088	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2368
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
53.37871	2.4
55.01810	3.8
55.05452	38.7
55.51614	2.6
57.03356	4.2
57.06992	6.6
59.28244	2.7
59.32916	2.4
60.44727	2.5
67.05432	25.8
69.03334	5.0
69.06989	35.1
71.08543	35.9
79.05388	18.5
81.06964	56.3
82.80296	2.8
83.04911	3.6
83.08533	11.7
85.06455	3.7
91.05411	5.7
92.10804	4.7
93.06963	38.4
95.04884	22.3
95.08534	47.5
97.06453	5.3
97.10065	4.2
99.08000	18.3
105.06955	19.3
106.87624	3.2
107.08511	20.8
109.06458	69.4
109.10101	18.0
119.08514	16.0
121.06438	16.7
121.10059	14.7
122.06949	2.9
123.07988	5.9
123.11606	4.7
131.08545	12.2
133.10121	6.4
135.08017	14.2
139.11192	4.7
145.10098	6.6
147.11674	4.8
161.13171	3.6
163.11082	4.6
165.12706	84.2
177.12675	6.7
181.15807	16.7
187.14743	3.6
191.14223	6.7
192.94398	3.0
209.15228	4.6
261.22000	37.6
279.23032	11.9
289.21527	55.0
307.22601	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2368
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
52.51421	4.0
55.01807	5.1
55.05445	40.1
56.96490	26.3
57.03391	7.0
57.06985	7.9
60.21054	4.6
61.53067	4.8
67.05409	42.4
69.03336	9.0
69.06965	41.1
71.04900	5.2
71.08530	20.3
79.05412	39.8
81.06962	84.5
83.08492	8.1
85.02811	11.6
86.10789	4.8
91.05389	22.6
92.10362	6.2
93.06960	42.5
95.04900	11.3
95.08536	54.8
97.02811	9.3
97.06430	9.3
98.97524	37.5
99.08002	7.1
105.06981	37.0
107.04887	6.7
107.08529	43.1
109.06462	84.0
109.10107	12.4
111.04403	5.9
111.08044	7.0
116.98550	44.4
119.08514	26.3
121.06450	30.9
121.10075	25.6
123.08007	27.2
125.09493	5.8
131.08493	10.9
133.10042	6.5
134.99631	52.8
135.08104	4.9
135.11676	10.6
139.11194	4.7
142.62860	4.9
145.10072	12.3
147.11700	5.7
149.13274	6.8
153.00641	8.5
159.11732	4.9
161.13239	7.2
163.11125	11.7
165.12686	63.8
165.67314	4.9
173.01146	19.7
181.15727	6.1
189.00638	11.8
201.00690	8.3
207.01764	7.1
219.01698	12.5
237.02866	6.0
239.39034	5.1
242.20422	6.1
251.16327	8.2
261.02686	7.0
261.22021	21.2
279.00461	26.6
289.21533	100.0
307.22568	86.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2371
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
55.05449	44.6
57.07004	9.3
63.55332	4.1
65.71957	4.3
67.05420	28.1
68.33416	4.7
68.42045	3.9
69.03340	7.7
69.06984	48.4
71.04904	6.1
71.08545	44.5
79.05399	35.8
81.06966	63.8
83.08562	9.8
85.02830	8.6
85.06459	5.7
86.05976	4.8
87.88795	4.4
88.07571	5.1
91.05377	21.2
92.10878	5.3
93.06966	34.9
95.04873	16.6
95.08530	43.4
97.06449	9.7
99.08009	19.2
102.17929	4.8
105.06964	22.5
107.08534	22.2
109.06461	63.3
109.10030	16.7
119.08543	10.2
121.06446	18.8
121.10051	17.0
123.08009	9.5
126.08668	4.6
131.08522	7.5
133.10083	7.2
135.08046	8.2
137.13148	5.2
139.11154	9.4
147.11595	4.8
159.11685	6.5
163.11079	5.6
165.12730	77.5
181.15849	9.9
181.93591	4.7
191.14407	5.7
194.99857	4.4
261.22046	27.1
269.15564	4.9
289.21524	46.9
307.22577	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37543	1.0
57.07003	2.0
73.95033	1.1
93.03643	1.5
101.07918	1.2
102.29333	1.0
128.23216	1.0
143.71255	1.1
152.47565	1.1
153.00273	4.4
153.05084	1.2
155.01884	26.6
156.99825	4.4
171.01364	100.0
172.01390	1.1
172.99338	2.3
194.02916	1.6
221.10194	4.2
232.43871	1.2
237.09735	7.9
303.18015	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	326.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39637	3.4
54.81509	3.8
55.05451	7.8
56.96501	6.7
57.07002	7.3
67.05432	16.7
69.06998	9.6
78.41214	4.0
79.05400	7.4
81.06959	32.2
91.05399	21.9
93.06992	23.7
95.08545	11.1
98.97520	7.9
101.37530	3.9
105.06972	100.0
107.08530	39.8
109.10114	21.9
111.04416	5.5
116.98532	9.4
119.08547	87.8
121.10059	5.2
131.08553	10.1
133.10036	5.2
134.99594	21.4
145.10033	9.0
147.11668	8.3
157.10107	5.3
159.34512	5.3
163.11121	5.6
169.10091	5.8
211.14742	7.7
253.15721	16.8
326.20987	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	326.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68894	0.7
53.03875	1.1
53.37341	0.7
54.22286	0.7
55.05439	5.4
56.96497	13.4
57.06997	1.5
58.99519	1.0
62.33060	0.7
64.85770	0.9
67.05423	10.6
69.06989	18.7
73.23066	0.7
74.10197	0.7
76.02128	4.9
79.05405	11.4
81.06970	100.0
83.08543	1.0
86.98962	3.4
88.02149	1.7
91.05412	3.4
92.15312	0.7
92.22845	0.8
93.06975	19.0
94.04099	4.7
95.08527	28.8
98.97507	1.4
105.00024	3.4
105.06953	1.2
107.08537	9.9
109.06502	0.9
109.10094	12.1
116.98544	1.3
121.00474	1.0
121.10089	12.3
122.02676	13.0
122.03599	8.3
123.03913	1.4
123.11627	6.0
135.11641	5.7
137.05943	50.2
137.13226	3.3
138.06284	11.6
149.13210	9.0
163.07458	0.9
205.19522	1.9
205.75587	0.9
217.02415	1.0
226.11110	7.8
227.11459	2.0
242.10458	1.3
244.12091	11.2
245.12479	3.3
250.92448	0.9
267.52765	1.0
325.67993	1.4
326.17197	5.8
344.15387	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.3053
Annotation	Oleoylethanolamide
Peak:m/z	Relative Intensity
52.73653	4.5
55.05431	9.9
57.07013	37.4
67.05426	25.0
68.55986	5.4
69.06974	13.1
71.08553	41.3
72.04422	8.5
72.29643	4.9
81.06981	44.0
83.30753	6.4
95.08524	25.2
109.64848	5.5
226.43401	5.6
231.76056	6.6
247.15036	5.2
312.46030	5.8
326.30524	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.3051
Annotation	Oleoylethanolamide
Peak:m/z	Relative Intensity
55.05452	16.9
57.07004	2.6
60.33019	1.1
62.06015	100.0
67.05426	10.3
69.06989	17.0
71.08537	1.5
79.05408	2.8
81.06980	8.2
82.27012	1.1
83.08554	9.3
83.08936	1.1
92.10872	1.5
93.06960	5.0
95.08511	6.9
97.10094	5.2
107.08517	1.5
121.10097	2.8
126.22297	1.2
135.11630	1.6
139.32230	1.2
204.85271	1.1
222.29427	1.2
227.22758	1.2
308.29510	1.6
309.27759	5.9
326.30438	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	326.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05428	1.5
57.07005	11.8
66.55962	1.3
69.06982	1.8
70.92384	1.1
71.08543	2.5
74.05976	4.5
78.05458	1.0
81.06948	1.2
81.19793	1.0
86.06019	1.2
88.07540	15.1
90.06735	1.1
102.09101	7.8
158.15289	1.2
256.26263	35.2
326.34094	100.0
326.49542	1.4
327.34579	1.9
340.33469	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07007	11.6
60.08085	2.9
65.64087	1.3
69.07011	1.9
69.78459	1.3
71.08526	1.8
74.05986	2.2
74.14412	1.2
77.94344	1.4
88.07535	9.7
102.09117	3.5
113.50365	1.5
116.10694	2.3
144.13774	1.9
155.85567	1.7
284.29367	14.1
326.34088	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.159
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
54.82106	0.2
55.01812	0.5
55.05446	1.1
61.97369	0.2
65.03857	0.3
69.03339	0.4
70.06511	0.2
79.04985	0.4
79.05400	3.1
81.06973	2.1
85.02823	0.3
91.05406	5.3
93.06955	0.5
94.04098	3.5
95.04889	1.2
100.11183	1.4
103.05403	15.4
105.06966	7.6
107.04895	3.9
108.05674	0.4
108.43017	0.3
109.06468	2.7
115.05401	2.1
117.06960	2.1
119.04874	1.1
120.05688	0.4
121.06458	5.2
122.03597	10.3
123.08001	1.2
128.06145	0.7
129.06949	1.1
131.04893	17.7
133.06458	20.8
135.08012	8.8
135.08905	0.2
137.05952	100.0
138.06281	1.5
141.06964	0.3
143.04930	1.5
143.08525	0.6
145.05316	0.5
145.06444	8.0
147.08014	0.7
149.05969	0.6
151.07520	8.6
157.06474	3.1
159.08101	0.4
160.05089	0.5
162.06726	1.1
163.07504	27.8
171.07994	0.6
175.07481	3.4
177.09093	0.6
180.14407	0.3
187.07530	1.2
189.09097	1.9
202.07788	0.7
203.10646	0.4
207.08049	0.6
217.10168	0.6
220.08853	1.4
235.11186	2.1
245.09618	1.2
263.10550	2.5
295.13184	6.4
321.75839	0.3
327.15759	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	327.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54053	0.8
52.73658	0.8
56.95865	0.6
56.96494	1.9
60.31332	0.8
64.26480	0.9
69.03317	1.2
70.06499	3.7
79.05402	1.3
81.06992	1.5
83.08549	1.1
84.08085	1.2
86.09592	1.2
91.05377	1.9
94.04131	1.3
95.08529	1.2
98.97498	4.2
100.11178	1.6
102.92426	0.9
103.05427	1.2
104.24062	0.9
105.06967	1.5
109.06466	1.0
116.98553	4.7
121.06450	1.3
122.03582	7.6
134.99640	4.1
137.05937	71.2
138.06259	0.8
146.99588	1.1
147.08006	1.2
152.98492	0.9
161.05899	1.6
175.07480	1.1
177.00677	1.1
177.09085	3.4
189.09021	3.1
190.95297	1.2
210.65092	0.8
266.12704	1.0
285.13620	3.1
327.17706	100.0
328.18225	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	16.6
57.07005	8.9
59.78049	6.7
64.95214	6.3
69.06984	14.1
70.04170	7.5
78.69788	8.3
83.04880	11.4
95.08547	7.7
113.05930	12.8
119.08559	14.9
125.02187	6.7
143.08524	7.7
166.06795	7.8
171.07953	9.4
183.07938	11.4
183.11610	18.3
184.08774	29.8
185.09558	41.1
195.11674	8.9
196.08804	8.7
197.09570	34.3
198.10439	53.9
199.11156	17.0
203.70386	7.5
209.09637	11.8
210.14018	11.5
211.11121	92.3
213.12689	100.0
217.50946	7.3
222.29880	8.7
223.11165	43.6
225.12701	12.1
225.16368	15.3
238.13408	42.3
241.12120	13.9
253.15845	95.3
257.00690	8.3
267.17361	12.9
285.18472	9.6
295.16876	9.8
327.19305	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	327.2163
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
53.03875	2.9
55.01809	25.3
55.05185	3.1
55.05449	82.1
56.96492	2.9
57.03367	9.4
57.07008	2.0
66.19179	1.8
67.05424	50.5
69.03345	11.1
69.06989	35.2
71.04909	2.9
79.05402	46.8
81.03326	21.3
81.06972	100.0
81.07450	4.1
83.04896	30.2
83.08533	44.2
85.02792	3.6
89.78017	1.7
91.05400	24.7
93.06969	36.9
95.04887	24.4
95.08525	30.8
97.02815	2.2
97.06454	11.3
97.09479	2.8
97.10096	59.1
99.08018	3.1
105.06982	24.4
107.04891	8.5
107.08537	33.9
109.06480	8.4
109.10093	11.6
111.04382	21.2
111.08006	10.8
116.98556	1.9
117.06959	11.5
119.08540	25.6
121.06467	9.2
121.10110	11.4
123.07995	43.0
125.09576	39.3
129.06973	8.1
131.08517	10.7
133.10107	9.6
135.08017	7.7
135.11662	8.7
137.09601	15.2
139.11177	2.1
143.08524	1.9
145.10097	13.7
147.08049	4.0
147.11629	8.2
149.09605	3.0
149.13147	2.5
153.12680	7.6
157.10074	7.8
161.09554	2.5
163.11168	16.8
165.09106	3.7
173.09671	2.9
175.11104	4.1
175.14810	2.0
185.99501	2.1
189.11169	21.0
190.95326	3.6
193.12183	10.7
208.96394	3.8
211.13243	3.5
216.12036	2.1
227.12743	2.1
232.64778	1.9
245.18884	2.9
273.18488	14.7
291.19495	76.1
292.19476	2.5
309.20514	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00221	1.2
53.03874	2.4
55.01795	2.8
55.05448	25.0
56.09826	1.5
56.96494	1.6
57.03367	2.4
57.06993	8.5
59.21200	1.5
67.05415	28.1
68.02029	1.4
69.03338	1.9
69.06976	20.7
71.04869	2.1
71.08540	33.5
76.56187	1.8
79.05398	20.2
80.05743	1.5
81.06965	39.8
82.07303	1.5
83.04893	2.5
83.08521	9.3
91.05397	8.3
93.06955	36.1
95.04884	3.7
95.08517	32.2
97.02791	1.8
97.06458	9.3
97.10090	6.8
99.08025	17.6
102.96854	1.9
105.06979	11.6
107.08529	20.4
109.06448	10.3
109.10070	11.6
116.98434	1.8
119.08519	8.4
121.10126	12.6
121.13212	1.6
123.07958	3.4
123.11670	2.4
124.08351	1.8
125.09528	1.9
131.08522	3.3
133.10103	6.1
135.11653	2.9
147.11720	3.0
149.13185	2.4
153.12737	1.9
159.11644	2.1
161.13228	2.4
165.12723	12.1
166.98494	2.7
172.95184	6.9
175.14790	3.4
179.14291	1.9
190.96246	6.6
193.15799	2.9
228.97900	2.3
236.98979	2.0
291.23090	15.0
292.19852	3.8
309.20578	3.4
309.24167	100.0
311.02887	2.3
326.81921	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01149	1.0
54.84538	1.1
55.01805	2.7
57.03359	6.4
59.03677	4.2
69.03345	16.0
70.06473	1.1
73.02811	2.9
77.46083	1.1
79.05404	2.5
81.03331	2.1
84.04421	1.4
85.02824	13.9
87.03129	19.0
91.05389	27.1
96.04408	2.1
97.02815	22.0
99.04374	5.6
100.03883	1.5
103.05394	18.5
103.66107	1.3
105.06961	20.2
107.04894	7.2
112.03929	12.9
115.05360	1.3
117.05709	1.4
117.06962	2.6
119.07243	1.3
120.08049	100.0
127.03876	8.9
129.06931	2.5
130.06480	16.6
131.04881	6.0
132.08046	77.3
134.09592	6.9
143.05737	10.3
143.08408	1.2
144.08067	12.3
145.06445	1.5
149.05991	2.0
150.09143	2.0
150.57787	1.3
156.08078	5.8
158.09628	1.7
161.06801	9.2
162.09074	9.4
166.08585	19.0
171.08003	1.3
174.09160	1.9
178.08626	7.1
182.09607	1.5
186.09163	1.6
198.09125	1.9
202.08546	2.1
204.10222	1.8
204.53287	1.2
210.08969	1.2
215.77382	1.3
216.10149	1.6
228.10130	2.5
244.09616	6.0
246.11246	9.9
264.12228	37.8
282.13306	1.8
287.76053	1.2
292.11737	31.5
310.12747	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2228
Annotation	468:PN:WO2005081628 SEQID:470 claimed protein
Peak:m/z	Relative Intensity
52.44852	0.4
55.05455	9.5
56.04972	1.2
56.96494	0.7
57.05738	0.6
60.04453	2.4
63.21251	0.5
64.26037	0.6
64.40497	0.6
64.65726	0.5
69.03351	0.9
69.06987	1.0
69.92574	0.4
70.06504	61.3
72.08064	100.0
74.05973	0.9
74.09570	0.5
83.05983	0.6
84.04422	3.8
84.08057	10.4
85.02821	1.0
86.09623	87.2
87.09927	0.6
88.03915	1.0
100.11127	0.5
103.05399	1.0
107.04900	0.7
110.07106	10.4
112.02733	0.5
116.07033	84.4
116.60842	0.5
116.98575	0.6
117.03307	1.0
118.06472	0.6
120.08063	3.5
128.01604	2.8
129.10182	5.4
130.06450	0.9
136.07599	0.7
145.02803	1.4
174.02167	1.3
177.05399	2.9
185.16440	23.7
190.95567	0.7
206.04272	0.5
208.96405	0.8
213.15945	12.2
229.15430	2.2
347.91406	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01810	5.7
55.05447	35.3
56.96487	2.6
59.00420	1.9
64.00759	2.3
64.57836	2.3
67.05415	38.6
67.98195	2.4
69.03358	3.5
69.06985	100.0
79.05402	38.0
81.03339	3.0
81.06973	46.6
83.04896	9.8
83.08538	25.0
90.51148	2.5
91.05382	23.6
93.06963	29.0
95.04910	10.4
95.08515	29.1
97.06425	11.2
97.10087	26.4
104.99210	2.7
105.06969	28.0
107.04896	5.0
107.08522	34.9
107.45168	2.6
109.06485	5.3
109.10113	5.3
117.07009	3.8
119.08512	19.2
121.06470	3.5
121.10082	13.4
123.08042	5.1
123.11578	2.6
125.09600	17.4
131.08517	4.7
133.10106	13.3
135.08006	5.1
135.11613	6.1
136.52379	3.0
141.79721	2.8
145.10120	4.0
147.11655	12.3
149.09618	15.2
149.84770	2.5
161.13208	4.3
163.11116	3.8
179.14236	3.4
189.11194	6.0
208.96281	2.8
216.95267	3.2
275.19980	46.1
293.21143	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	328.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97935	1.4
53.03880	3.7
55.01820	4.5
55.05451	49.8
56.96510	2.0
57.03369	4.5
67.05073	3.7
67.05425	100.0
69.03367	5.9
69.06979	24.3
71.04917	4.5
72.81570	1.7
79.05406	82.5
81.03325	9.5
81.06969	60.6
83.04913	8.9
83.08543	11.6
91.05403	65.0
91.05948	4.1
93.06969	75.2
95.04887	31.6
95.08526	39.6
97.06461	9.2
97.10118	7.2
98.98392	12.9
105.06969	46.8
107.04900	2.2
107.08533	33.8
109.06466	7.1
109.10105	31.7
117.06962	10.9
119.08536	27.2
121.10120	20.0
123.08032	2.5
123.11666	2.6
125.09597	1.9
129.06938	3.5
131.08485	17.5
133.10080	18.4
134.99625	2.0
135.11649	4.1
137.09579	9.3
143.08534	2.6
145.10104	11.1
147.11639	7.4
149.09586	4.2
159.11624	2.4
161.13211	2.7
173.11722	13.2
211.13240	2.1
275.20023	14.2
335.16537	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	3.4
55.01804	4.0
55.05452	61.5
56.96492	2.7
57.03365	11.4
59.04947	2.2
67.05076	3.8
67.05425	88.1
69.03344	5.6
69.06989	28.3
71.04903	11.1
73.06433	2.3
79.05409	100.0
81.03338	9.8
81.06976	69.5
82.04429	2.3
83.04900	16.4
83.08543	24.3
91.05406	71.8
93.06968	84.5
95.04889	39.0
95.08539	51.1
97.06444	3.9
97.10119	13.6
99.08037	4.3
105.06976	47.6
107.04892	3.2
107.08539	37.5
109.06469	5.5
109.10116	42.6
111.08035	6.1
117.06972	5.3
117.99772	2.3
119.08551	31.0
121.10093	29.4
123.08008	3.5
125.09595	12.0
129.06961	3.5
131.08521	16.8
133.10126	16.1
137.09586	4.7
140.94318	2.9
145.10094	10.5
147.11678	12.7
157.09962	2.3
159.11681	2.6
163.11205	2.6
173.11688	16.3
173.13080	3.2
199.11121	4.0
208.96410	3.2
250.97560	2.6
259.01056	2.6
275.20035	16.3
293.21057	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	328.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01593	4.6
55.01812	100.0
55.05218	5.4
55.05448	78.2
57.07003	8.8
61.49480	3.9
67.05428	57.8
69.06980	39.6
70.06491	19.9
70.11316	4.2
71.04879	4.9
71.08530	8.5
74.05978	23.4
78.74910	4.2
79.05390	24.5
79.37243	4.2
81.03328	5.8
81.06972	46.7
83.04874	6.3
83.08521	16.6
88.07518	23.5
91.05396	18.5
92.10871	9.5
93.06959	23.8
95.04867	8.2
95.08521	32.8
97.10089	9.9
105.06960	25.0
107.04878	7.7
107.08518	19.0
109.06420	5.3
109.10078	9.9
117.07013	5.8
119.08517	18.1
121.10065	11.0
125.09591	56.4
133.10091	8.4
137.09529	7.1
150.12465	4.7
151.11130	22.2
159.11664	5.2
267.95120	5.6
275.19971	7.5
293.20908	5.5
328.18961	6.1
328.28922	5.4
328.32068	80.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1491
Annotation	H-Tyr-Phe-OH
Peak:m/z	Relative Intensity
51.72154	0.5
54.81746	0.5
55.01804	0.8
55.05445	2.9
55.05693	0.7
56.04971	2.4
56.36328	0.5
56.96482	2.2
59.04937	0.8
60.04457	3.2
62.72871	0.6
65.03872	1.1
67.05417	3.9
69.03354	0.8
69.06983	3.0
70.06511	42.0
71.06840	2.4
72.08068	13.2
79.05397	3.0
81.03336	0.9
81.06966	2.6
82.54377	0.7
83.02109	0.7
84.04428	5.9
84.08070	26.6
84.08571	0.9
85.02814	4.3
86.09629	17.3
87.09940	0.9
88.03893	1.3
91.05408	48.0
93.06973	1.1
94.04150	0.8
95.04888	1.5
95.08528	0.9
98.97538	0.8
99.23848	0.6
101.10732	0.7
102.05405	0.7
103.03860	1.3
103.05392	5.7
105.06988	3.6
107.04886	3.8
108.05720	0.6
109.06441	1.3
109.10103	3.8
110.07130	6.1
112.08649	0.9
115.05434	0.8
115.08615	0.8
116.07083	1.5
116.98500	0.9
117.06960	1.2
118.06491	3.7
119.04074	1.3
119.04896	31.2
120.08053	14.2
121.06441	2.6
122.03609	1.2
123.04403	1.4
123.08035	0.8
125.05988	1.0
129.06964	0.6
129.10204	9.0
130.08583	1.4
131.04909	5.9
134.99631	0.9
135.08072	0.6
136.07553	100.0
137.05951	16.5
137.07982	0.8
137.09578	6.1
139.03894	1.4
145.06482	1.2
146.06024	3.1
147.04405	2.6
151.07555	1.3
163.07495	4.2
165.09016	0.9
166.08618	2.8
167.07048	1.0
169.04968	0.8
169.13332	1.0
177.00676	0.8
177.05450	1.2
177.09006	1.4
179.06967	5.9
191.06961	1.6
199.97292	0.6
201.12268	0.7
209.08034	5.3
215.13849	3.0
251.10385	0.6
285.10849	0.7
328.21994	0.7
329.15387	5.3
329.20587	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	329.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01823	5.8
55.05446	23.2
56.96505	5.7
58.91824	3.9
59.44559	3.4
67.05434	25.9
69.03343	5.6
69.07020	4.9
71.97965	3.4
79.05410	19.7
81.06981	17.4
83.04904	16.6
91.05418	30.5
93.06974	22.2
95.04906	7.9
95.08522	7.6
97.06502	5.2
105.06979	24.3
107.08553	21.0
109.06463	22.7
115.05545	3.5
117.06967	8.7
119.08555	24.2
121.06465	6.6
123.08029	99.1
129.06981	5.8
131.08493	9.4
133.06487	4.2
133.10110	9.0
135.08025	20.0
137.09601	39.7
139.05664	4.0
143.08492	5.0
145.10104	6.7
147.08063	17.1
147.52002	3.9
149.05933	6.2
149.09633	19.9
151.07527	100.0
159.08061	6.3
160.08873	4.1
161.09474	12.3
163.20447	4.8
165.09152	17.8
171.11697	5.5
173.09576	8.7
212.11935	5.5
217.24382	4.5
241.15846	4.8
283.16965	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	329.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01804	0.9
55.05451	4.1
56.04970	3.5
56.96495	0.6
57.03375	0.6
60.04454	2.3
64.32960	0.6
65.03874	0.5
67.05426	19.2
69.03343	0.7
69.06971	3.5
70.06507	40.1
71.06840	6.5
72.08061	10.5
73.08399	0.4
74.05990	0.8
79.05396	0.8
81.06969	10.3
82.06504	0.5
83.04898	0.7
84.04423	3.5
84.08064	100.0
85.02805	0.7
85.06454	0.5
85.08402	1.0
85.48389	0.4
86.09623	18.2
87.09982	1.0
88.03905	0.9
91.05399	10.8
93.06983	4.1
95.04893	4.5
95.08538	6.3
97.06497	0.6
101.10699	0.9
102.63078	0.5
103.05392	1.8
105.06951	0.4
107.04903	0.7
107.08534	2.4
109.06432	1.8
109.10099	41.6
110.07111	4.4
111.04408	0.6
111.09167	0.5
112.07540	1.7
112.08724	0.6
115.08617	0.7
116.07037	0.8
117.06950	0.7
118.89553	0.5
119.04889	5.3
119.08538	3.7
120.08045	3.3
121.06414	0.6
121.10095	0.6
122.03629	0.7
123.04344	0.6
125.05967	0.6
129.10196	23.6
130.08606	11.0
131.04904	2.7
136.07547	17.0
137.02277	0.6
137.05962	7.9
137.09584	64.5
139.03848	0.7
146.06039	0.5
147.04350	0.6
147.11292	4.6
149.05945	0.6
151.07475	0.7
155.10657	1.1
156.07574	0.5
163.07530	1.0
165.09059	16.7
169.13333	2.0
170.05911	0.6
170.13655	0.7
177.05403	0.7
179.07040	1.0
183.14911	0.8
184.15251	0.6
185.16397	0.5
191.03888	0.4
193.01286	0.5
197.12801	0.8
207.02696	0.6
208.03575	2.3
209.08040	1.1
211.00569	2.4
221.99821	3.7
225.99200	0.8
239.00015	2.8
240.00803	0.9
265.19043	1.9
266.17511	2.0
293.18518	4.2
311.19562	1.7
329.03067	4.1
329.20581	42.6
330.20752	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2318
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.70259	1.7
53.00262	2.0
53.03880	2.7
55.01805	17.9
55.05451	100.0
57.03359	4.4
57.06996	3.3
60.47838	2.0
61.92369	1.9
63.10979	1.8
67.05425	46.6
68.04261	2.1
69.03336	12.1
69.06982	21.4
71.08537	16.2
76.65923	2.0
79.05405	35.0
81.03324	18.4
81.06966	46.8
83.04884	23.3
83.08537	53.4
85.42712	2.1
91.05396	27.9
93.06972	27.5
95.04899	39.8
95.08547	15.2
97.02839	2.4
97.06450	3.7
97.10103	60.6
99.08024	18.6
104.99234	3.0
105.06967	14.5
107.04903	8.6
107.08528	30.6
109.06471	2.6
109.10107	14.5
111.04380	13.8
111.08045	11.6
117.06942	5.0
119.08530	14.3
121.06445	2.9
121.10088	9.2
123.08032	3.8
125.09570	37.0
126.09886	2.4
129.06973	3.6
131.08545	10.1
131.54575	2.8
133.10114	4.5
134.99715	2.4
135.08035	8.7
135.11676	4.3
137.09578	3.1
139.11113	3.8
143.08540	2.3
145.10049	5.5
145.79379	2.7
147.08011	4.8
147.11679	5.3
149.09581	5.0
149.13168	2.0
153.09088	8.9
157.10080	2.9
159.11618	3.7
161.57417	2.1
163.11142	24.3
165.12691	2.3
167.32411	2.2
175.11133	4.4
181.12315	2.5
189.11198	15.0
193.12238	8.7
195.13771	8.7
211.13165	4.1
215.38063	2.4
223.13269	5.4
257.19009	3.9
275.19855	16.5
278.10892	2.2
293.21039	96.8
294.21307	2.8
311.22101	26.4
316.62149	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	329.2318
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.01828	8.8
55.05446	61.6
56.96490	6.6
57.03354	6.0
57.07014	8.5
67.05426	100.0
69.03373	6.5
69.07001	48.2
71.04910	9.2
71.08547	43.9
75.32397	5.6
79.05412	36.2
81.06982	45.6
83.04894	59.6
83.08572	10.3
91.05408	32.0
93.06973	49.5
95.04882	8.9
95.08531	45.1
97.06467	12.4
97.10096	8.9
99.08017	36.4
100.02607	5.2
105.06936	5.4
107.08561	12.2
109.06471	11.6
109.10114	73.2
110.96880	5.4
113.28826	4.9
119.08454	6.0
121.10088	7.6
121.59898	5.3
133.10109	7.9
139.11150	54.9
151.11151	21.8
157.12233	36.4
173.11725	27.5
293.20868	63.6
306.07761	5.4
311.22141	20.8
329.17224	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	329.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84920	5.5
53.03902	6.3
54.81499	5.9
55.01822	12.8
55.05450	95.0
57.03358	13.9
57.07005	37.2
58.63866	6.5
67.05418	57.6
69.06979	100.0
70.06525	11.5
71.08549	13.2
79.05404	36.3
81.06969	97.7
83.08531	49.4
85.10112	9.1
88.07566	13.7
91.05388	12.0
93.06988	60.0
95.08529	66.0
97.06460	11.3
97.10087	42.9
100.60983	7.7
107.08511	40.9
109.10127	27.8
111.07990	7.6
121.10107	76.3
123.11681	8.7
126.90276	6.7
135.11658	44.4
143.30342	7.5
149.13240	11.9
150.45160	6.6
150.72871	6.7
163.58144	7.2
219.21074	43.1
236.65840	7.7
237.22063	29.1
273.00275	7.8
311.25815	13.4
328.32059	52.3
329.32294	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	330.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77744	1.4
55.01794	2.2
55.05453	11.0
56.04970	7.0
56.96500	6.4
58.99517	2.3
60.04448	2.8
61.01072	2.0
62.26631	1.2
67.05415	2.8
69.03340	2.7
69.06989	3.6
70.06510	45.7
71.04923	1.5
71.06865	2.0
72.08065	66.5
74.00583	6.1
74.05969	3.1
74.72234	1.6
79.05401	2.9
84.04433	15.6
84.08064	39.1
85.02827	6.2
86.09622	90.1
87.09949	1.8
88.02139	2.6
88.03917	8.2
89.03813	2.4
91.05400	60.1
92.05730	12.0
93.06957	7.6
95.04888	2.7
95.06027	1.9
97.02852	1.9
98.97559	2.0
101.07092	1.9
101.11289	1.7
102.05463	2.0
103.05399	20.8
105.06963	2.9
107.04882	19.7
109.75611	1.6
110.07104	15.7
112.02117	3.3
112.08714	1.6
114.37083	1.6
116.07053	7.1
117.03315	6.3
119.04888	31.5
120.05171	2.4
120.05735	1.8
120.08047	17.5
121.06468	21.8
121.08401	2.4
123.04418	1.9
125.00539	2.5
129.10187	15.6
130.03255	2.7
130.06572	1.6
130.08566	1.8
131.04893	30.3
133.06490	1.7
134.01187	1.5
134.02710	1.5
134.03616	3.6
134.99593	1.9
135.04396	7.4
136.07549	76.2
137.06052	11.2
137.07907	29.2
139.02156	3.2
139.11177	1.7
145.02705	5.1
146.05992	1.7
147.04358	10.5
148.05167	3.3
149.00548	6.4
149.05966	31.5
151.02068	15.4
153.03659	13.9
153.59848	1.7
158.02629	1.6
159.01125	1.8
159.04393	17.2
161.05978	1.6
163.03848	2.0
167.06985	50.4
167.09135	1.7
175.12021	1.6
177.05424	100.0
179.01540	3.1
179.06992	6.8
181.03156	6.0
185.16451	15.7
193.04752	1.6
193.09657	1.5
207.06497	7.3
208.07318	7.3
209.02623	24.1
209.07999	18.9
213.15916	6.1
223.04152	5.8
241.05237	19.8
264.33380	1.6
312.08969	24.3
317.18430	1.5
329.15515	2.5
330.09982	2.2
330.15268	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01814	0.3
55.05449	4.3
56.04964	1.8
56.08015	0.2
56.96503	3.5
60.04438	0.4
61.01071	0.4
66.65160	0.3
67.05431	1.5
69.03360	0.3
69.06988	8.6
70.06510	9.1
71.06830	0.5
72.08070	54.1
74.06001	0.9
75.13937	0.2
77.19055	0.3
79.05423	0.5
80.73956	0.3
81.06958	0.7
82.07295	0.4
84.04439	2.4
84.08067	13.5
85.02834	0.5
85.08405	2.1
86.09626	100.0
87.09934	0.3
88.03893	2.7
91.05407	1.5
92.10268	0.4
93.06959	0.3
95.06041	0.3
95.08529	1.2
98.06000	0.4
98.97504	0.7
100.07558	0.3
102.05488	0.7
103.05391	0.3
105.06985	1.2
107.04897	0.4
107.08556	0.3
109.10127	2.4
110.07110	4.8
110.10436	1.4
110.47039	0.3
112.08701	0.4
116.00134	0.5
116.07027	0.5
116.98569	1.6
118.06497	0.3
118.08595	1.3
120.08066	2.4
123.08009	0.6
129.10202	4.6
130.08618	1.6
130.10536	0.3
132.08124	0.4
134.01239	1.5
134.99605	0.6
136.07521	0.5
137.05971	1.7
137.09557	2.7
138.09903	2.3
143.11787	0.3
145.10124	0.4
151.07532	0.4
152.02367	0.5
155.08131	0.3
157.06432	0.3
161.05891	0.3
166.09485	0.4
171.14883	0.6
177.00760	0.4
177.05351	0.3
178.00183	1.1
185.16455	18.5
209.08116	0.3
213.15942	13.9
217.15471	2.9
240.05368	0.6
258.06451	0.5
308.04312	0.6
329.20651	0.5
330.20627	2.6
330.24405	0.4
336.28531	0.3
354.47897	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04672	0.3
50.04882	0.3
50.36405	0.3
51.27601	0.3
52.16367	0.2
53.90684	0.3
54.81470	0.3
55.05453	6.7
56.04971	1.3
56.96502	1.3
57.05745	0.4
57.94246	0.3
58.23593	0.3
59.12865	0.3
59.50640	0.3
60.04448	0.4
62.20285	0.2
65.00531	0.3
66.37724	0.3
69.03344	0.5
69.06981	1.5
70.06509	8.8
71.06828	0.4
72.08071	100.0
73.08394	0.4
74.06018	0.5
75.01759	0.4
76.20260	0.3
82.06512	0.5
82.57816	0.4
84.04447	3.0
84.08065	5.5
85.02841	0.4
86.09628	13.2
88.03923	0.6
91.05417	0.5
92.10268	0.7
95.04923	0.4
95.08529	0.5
97.02830	0.5
98.97517	1.8
100.07566	0.5
102.05488	0.5
102.12565	0.3
103.05427	0.7
105.06989	0.7
110.07116	2.3
116.98566	1.6
119.04872	0.4
120.08086	2.2
123.08006	0.7
127.03848	0.3
129.10185	2.9
131.04904	0.4
132.10229	1.2
134.99649	0.8
136.07642	0.4
137.06033	0.6
151.03906	0.5
159.09155	0.6
164.76521	0.3
166.44455	0.4
169.04984	0.5
171.14902	15.8
185.16566	1.2
199.14398	10.6
231.17038	1.4
237.02849	0.6
270.37238	0.4
285.10770	0.4
307.10669	0.4
330.23853	0.4
331.13452	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	3.1
55.01800	10.7
55.05192	2.1
55.05450	55.3
56.96486	3.7
57.03366	3.4
57.06997	3.9
59.04924	2.3
60.93070	1.9
64.33461	1.9
67.05070	3.8
67.05426	75.7
69.03333	3.6
69.06985	46.0
71.04903	5.0
79.05407	64.9
81.06509	3.4
81.06974	84.7
83.04880	3.8
83.08540	38.0
85.06440	2.4
91.05402	42.5
93.06969	100.0
94.07300	2.3
95.04876	13.1
95.08530	62.3
97.06438	15.6
97.10088	4.6
98.97520	2.8
99.08012	2.6
100.36805	2.3
105.06986	31.8
107.04826	2.7
107.08533	51.6
109.06454	9.3
109.10087	30.5
111.08004	10.5
116.98544	4.8
117.06936	10.4
119.08535	27.2
121.06400	3.0
121.10104	37.9
123.08007	3.8
123.11638	4.5
125.09576	3.2
127.03836	4.1
129.06920	2.8
131.08487	10.4
133.10094	24.1
134.99634	2.3
135.08070	2.9
135.11671	29.4
137.09581	3.0
142.93896	2.2
145.10109	12.4
147.08005	4.4
147.11617	24.4
149.13176	15.3
157.10088	3.2
159.11641	11.8
161.13235	9.8
163.11139	3.1
171.11633	5.0
173.11699	2.8
173.13208	2.5
185.13374	2.9
189.12669	2.8
195.13768	3.7
196.65129	2.4
199.14679	2.2
207.13728	3.2
241.19502	2.8
259.20361	3.8
277.21558	94.2
295.22519	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	330.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00236	1.4
53.03871	1.7
55.01813	8.4
55.05192	1.8
55.05452	38.1
56.96499	1.6
57.03374	15.3
57.07003	6.9
59.04918	2.7
59.90676	1.0
63.20738	0.9
64.37665	1.0
65.03847	2.1
67.05428	100.0
68.05741	1.3
69.03343	5.0
69.06987	33.3
70.07299	1.1
71.04912	9.7
71.08535	4.7
76.97729	1.0
79.05406	36.1
81.03336	6.6
81.06975	79.9
82.07310	1.7
83.04910	12.7
83.08546	16.8
85.06468	2.7
91.05411	26.8
92.10818	1.9
93.06972	35.5
95.04917	9.9
95.08533	45.9
97.06448	6.4
97.10120	8.7
105.06974	15.6
107.08549	17.7
109.06448	5.8
109.09398	1.8
109.10106	34.1
111.08022	8.1
117.06953	1.8
119.08535	15.4
121.10092	8.6
123.08047	5.4
123.11678	6.2
125.09588	5.7
125.89355	1.2
127.03909	1.4
129.06963	2.3
131.08572	2.2
133.10068	6.6
135.08022	2.1
135.11667	5.3
137.09581	2.2
137.13316	1.5
139.11160	2.0
145.10081	1.8
147.11774	4.5
149.09642	1.4
149.13242	2.7
151.11165	2.6
153.09093	1.8
155.10666	2.9
157.10037	1.2
159.11554	1.1
161.13223	4.9
163.14809	1.2
173.11705	18.2
175.14754	1.2
189.11180	1.4
193.12331	1.5
211.13242	2.3
211.99158	1.3
212.60201	1.1
213.00105	1.6
214.58519	1.0
239.93153	1.1
273.65802	1.3
277.21579	17.9
295.22638	12.7
344.61212	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03873	4.9
55.01809	15.1
55.05450	63.0
57.03360	17.8
57.07006	15.7
63.49319	3.4
67.05428	100.0
69.03333	5.0
69.06992	43.3
71.04900	5.5
71.08532	15.3
74.59139	3.6
79.05412	66.4
81.06975	99.8
83.04917	33.6
83.08525	21.6
84.01151	3.2
85.06447	3.8
91.05399	41.8
93.06976	85.1
94.81423	3.6
95.04872	18.5
95.08530	68.0
97.06449	24.5
97.10100	13.3
99.07984	4.0
105.06966	41.8
107.04845	3.8
107.08524	36.0
109.10109	19.2
111.08027	5.6
117.06985	5.5
119.08527	20.3
121.10077	14.4
123.11649	4.6
129.06941	3.9
131.08557	5.5
133.10098	23.7
135.11671	22.5
137.51064	4.4
139.11177	24.1
147.11671	6.1
149.13249	14.3
151.11160	6.8
159.11678	8.5
161.13269	6.6
177.12825	4.1
195.13762	18.0
195.53845	4.4
198.54849	3.3
259.20520	4.1
277.21588	35.4
282.01111	3.9
295.22522	15.0
310.80975	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	330.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01798	8.7
55.05448	46.4
56.92273	2.0
57.03365	18.6
57.06996	9.0
58.08733	1.7
58.91146	1.7
59.86396	2.3
61.47435	2.2
67.05425	100.0
69.00455	2.1
69.06987	28.4
71.04900	9.0
73.66924	1.9
79.05400	28.3
81.03337	8.6
81.06970	61.1
82.51133	1.9
83.04896	13.3
83.08532	17.8
85.06449	3.5
87.78658	1.9
91.05403	29.8
93.06960	45.1
95.04881	12.9
95.08530	33.9
97.06448	10.0
97.10091	4.1
99.08020	3.2
105.06979	13.9
106.92430	2.0
107.08534	16.8
109.06458	3.2
109.10104	61.5
111.08003	3.8
117.19839	2.5
119.08521	14.8
121.10102	11.0
123.11633	3.0
131.08511	2.7
133.10098	4.1
135.11586	4.3
137.09642	3.1
139.11179	4.7
147.11711	4.6
149.13208	2.8
151.11238	2.4
155.10670	3.4
166.31297	2.4
173.11691	35.6
180.26904	2.9
190.01376	2.1
195.13666	2.8
211.13382	2.9
215.81285	1.9
222.56496	2.1
241.19580	3.1
277.21472	11.8
279.47998	2.4
295.22589	4.8
295.73721	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01244	1.3
54.81511	1.3
55.05445	8.5
57.06998	3.9
59.48823	1.3
67.05414	8.2
69.06956	8.7
69.23930	1.5
71.04890	9.4
71.08541	100.0
72.08078	1.6
73.01830	1.5
79.05400	3.6
81.06956	13.4
85.10072	2.2
85.35070	1.4
87.04361	7.8
89.11662	1.5
91.05384	2.9
93.06977	3.5
95.08533	12.6
97.06461	3.3
99.08018	64.3
101.05920	1.6
105.07000	2.0
107.08523	2.3
109.10104	6.7
111.08001	1.6
119.08537	1.9
121.10086	3.4
133.10068	6.4
135.11626	2.0
142.09715	1.4
156.60672	1.8
161.13139	2.4
165.12695	3.1
179.14217	2.2
197.15263	9.0
200.48584	1.6
215.16452	2.9
270.27719	2.1
271.22662	2.7
277.21576	24.2
295.22540	33.0
311.01569	1.8
311.98862	1.9
330.29868	2.5
330.33521	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	330.3365
Annotation	icosasphinganine
Peak:m/z	Relative Intensity
50.08313	0.5
50.19595	0.5
52.23909	0.4
57.07009	14.4
58.06517	0.8
61.68137	0.4
63.23016	0.4
70.06511	23.1
71.08541	4.5
81.06012	0.5
85.10087	0.8
88.07556	27.8
88.72943	0.5
92.64009	0.6
102.09121	6.8
106.08614	13.4
151.48700	0.6
196.88095	0.6
247.68863	0.6
253.55852	0.6
312.32520	8.0
330.33600	100.0
331.33942	2.9
350.67908	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	0.9
56.96502	0.7
65.38001	0.5
67.05424	0.7
69.03343	1.0
69.06984	0.7
73.28392	0.5
79.05382	0.7
81.06952	1.0
83.04891	1.0
84.51559	0.5
88.51888	0.5
89.31899	0.5
91.05382	0.8
92.10275	0.7
93.06975	0.8
95.04884	0.7
98.97555	0.6
102.12378	0.5
105.06973	0.5
107.08557	0.5
109.02834	0.7
113.84730	0.5
116.98589	1.1
119.08506	1.2
127.03808	0.7
133.10088	0.7
135.04361	1.0
137.05917	0.7
151.07623	0.6
159.08017	0.9
161.09576	0.7
171.07999	0.8
173.05762	0.6
173.09543	0.6
174.06709	1.2
175.07521	4.1
183.08020	2.4
187.07509	5.9
187.11124	0.8
188.08299	2.1
189.09048	3.0
191.07010	1.0
196.08777	0.6
197.09554	0.9
198.10362	0.6
201.09081	5.1
202.06213	1.0
203.07143	0.6
205.05331	0.6
211.07547	5.4
211.11180	1.3
214.06238	1.0
215.07027	3.0
215.10692	3.5
216.07758	2.3
217.08582	1.3
219.06525	3.8
225.09065	3.3
226.09862	3.4
227.10648	2.2
228.07675	1.0
229.08582	11.7
229.12045	0.7
239.10608	9.9
243.06508	0.7
243.10062	5.4
244.10884	100.0
245.11218	2.2
257.11670	1.1
261.07541	10.0
271.09528	0.6
272.10376	43.2
273.10675	0.8
285.11172	1.2
303.12186	4.8
313.18002	1.0
331.07813	0.8
331.11722	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90557	2.3
55.01797	2.7
55.05440	16.6
56.04972	16.1
56.33253	3.0
56.96495	4.7
57.07000	3.5
58.99512	15.4
67.05407	22.8
69.03321	3.2
69.06982	13.7
70.06503	4.8
70.87400	3.2
71.04906	3.6
74.00551	3.7
76.02126	7.5
79.05402	17.2
80.43866	3.0
81.06977	41.6
81.80728	2.8
83.04898	4.7
83.08532	13.5
84.07990	4.0
85.01039	3.5
86.00561	12.1
86.09638	3.6
86.98978	5.4
87.02604	13.2
91.05391	64.2
93.06956	21.2
95.04875	17.5
95.08537	36.6
95.94536	2.9
97.01038	43.4
97.10121	3.7
98.97482	3.6
99.02599	4.6
101.04153	4.5
103.05376	4.3
105.06969	16.2
107.04896	12.0
107.08528	16.1
109.06493	6.6
109.10062	16.4
114.82401	3.2
115.05425	4.5
116.98558	6.8
117.06930	3.8
119.04872	27.3
119.08528	6.0
121.06451	7.7
121.10064	5.1
122.03600	16.3
123.08018	3.9
128.06209	5.0
129.06947	24.4
131.04886	6.7
131.08473	4.3
132.01059	4.5
133.10150	5.1
134.99597	3.1
135.07983	5.9
135.11641	3.6
137.04268	5.1
137.05943	100.0
141.07010	3.8
145.06502	4.5
145.10059	3.9
146.03658	3.7
147.07973	3.3
149.05965	12.2
151.07529	76.9
152.06197	4.8
157.06445	12.7
161.05969	17.7
161.09650	3.2
163.07503	15.5
165.06978	23.2
165.09085	5.4
167.08502	29.8
174.06683	5.3
178.07709	11.1
179.08621	3.7
181.06461	5.8
182.07243	4.7
184.08752	3.1
189.09064	20.5
191.06996	6.3
193.06497	13.2
193.10022	12.3
194.07207	4.4
195.08083	40.7
196.08858	3.7
197.05939	12.1
210.06657	16.8
210.18486	67.9
211.07457	6.3
212.08318	6.0
221.06004	10.7
221.09544	14.7
223.07521	15.5
224.08408	4.8
225.09087	17.1
227.06912	12.9
227.10608	39.7
238.06212	11.9
239.07007	5.3
240.17708	4.2
249.08717	4.1
251.14525	11.5
253.08499	21.8
253.12164	18.0
255.06337	4.2
255.10031	23.5
267.10022	6.5
268.17206	51.0
281.11844	4.4
285.11014	7.3
286.18274	7.0
287.12808	34.6
314.17700	18.6
331.11707	4.3
331.20435	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1536
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
53.03875	1.1
54.81979	1.4
55.01797	1.3
64.93497	1.2
65.03867	1.6
71.48705	1.1
79.05397	5.5
83.83321	1.8
91.05402	45.8
94.04111	6.3
95.04900	9.3
100.85179	1.3
103.05388	8.7
104.98597	1.3
105.06953	8.0
107.04894	9.6
109.06441	6.7
115.05416	1.7
117.06969	1.5
119.04882	29.0
121.06453	8.3
122.03596	11.8
128.06178	7.7
129.06972	23.6
131.04880	8.9
134.03577	2.2
135.07988	9.6
136.05139	5.5
137.05945	100.0
145.06480	5.6
146.07176	1.5
149.05949	8.0
151.03891	3.1
151.07516	73.3
152.06160	6.0
153.06958	1.7
157.06447	11.7
160.05254	1.3
161.05939	14.2
161.09569	2.1
163.07483	16.1
165.06953	22.8
165.09091	6.3
166.07758	5.4
167.07176	1.7
167.08516	31.6
169.06430	5.1
171.07968	1.7
174.06706	7.5
175.07507	3.1
177.06976	2.9
177.09129	3.2
178.07709	12.7
179.08463	3.2
181.06427	8.8
182.07182	8.1
183.07977	2.3
189.09077	23.5
192.09370	3.0
193.06494	10.6
193.08250	1.5
193.10063	12.7
194.07240	5.2
195.08000	39.5
196.08675	2.6
197.05943	8.7
197.09598	1.7
199.07419	1.8
199.11237	1.8
202.07855	2.1
203.08510	3.3
205.06465	2.1
206.07150	2.0
207.04366	1.8
207.07997	2.0
207.10107	1.8
209.09550	5.1
210.06723	13.3
211.07494	8.2
212.08296	9.6
219.07909	1.6
220.08765	1.4
221.05986	16.1
221.09480	12.9
223.07500	14.9
224.08281	7.0
225.05437	2.7
225.09016	16.7
226.06163	1.4
227.06964	6.5
227.10597	36.8
234.06578	1.8
237.05283	2.2
237.09074	2.7
238.06137	7.2
238.09749	2.1
239.06841	5.3
240.07745	2.7
249.08971	6.5
252.07735	3.2
253.08580	19.8
253.12146	15.8
254.09267	1.6
255.06471	2.0
255.07289	1.9
255.10106	27.2
267.10056	8.3
269.07965	7.9
272.10550	4.4
281.11789	2.4
285.11163	16.5
287.12711	37.9
313.14383	11.2
327.88702	1.5
339.57199	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01820	1.8
55.05458	0.8
56.96510	3.3
65.03855	1.6
70.06509	1.6
79.05398	4.7
80.27541	1.0
81.06960	2.1
86.09620	2.4
91.05402	44.8
91.99213	0.9
93.06944	1.5
94.04121	4.7
95.04925	8.4
97.96677	1.1
98.97515	8.5
103.05399	12.9
105.06982	7.3
106.54873	0.9
107.04902	11.5
109.06476	5.7
111.04372	1.1
115.05405	5.1
116.06186	1.1
116.98589	8.0
117.03331	1.4
117.06946	3.9
119.04890	28.4
121.06481	10.6
122.03596	13.7
127.79231	0.9
128.06189	8.2
128.98573	1.1
129.06963	20.9
131.04883	19.4
131.08546	1.5
133.06424	2.3
134.99608	2.2
135.08022	8.6
136.05179	7.2
137.05952	100.0
138.17023	0.9
143.04930	1.4
145.06467	5.0
146.03610	1.7
146.07225	1.5
147.04382	2.1
148.01854	1.0
149.05948	12.5
150.06712	1.7
151.03856	4.8
151.06293	2.2
151.07523	69.3
152.06180	8.1
153.06973	1.7
154.07719	1.1
157.06488	12.3
158.07246	1.1
159.08066	1.3
161.05954	16.7
161.09619	3.9
162.06702	2.3
163.07512	17.2
165.06976	18.9
165.09117	3.9
166.07727	4.7
167.08525	26.5
169.06444	4.9
173.05927	1.1
174.06764	7.6
175.07507	2.2
177.06944	1.8
178.07704	9.2
179.06880	1.0
179.08498	4.3
181.06415	10.3
182.07216	6.8
184.08705	1.1
189.09056	20.7
191.08485	1.6
192.09338	1.8
193.06476	10.2
193.10089	13.6
194.07225	3.9
195.06342	1.9
195.08034	35.8
196.08725	1.6
197.05922	8.3
197.09555	1.8
199.07425	1.2
202.07729	1.5
203.08543	3.7
206.07262	4.0
207.08086	1.9
207.10013	1.6
209.05984	4.1
209.09554	4.3
210.06744	13.4
211.07449	6.8
211.10890	1.1
212.08377	9.2
221.06010	13.0
221.09525	14.1
223.07486	15.6
224.08310	7.7
225.05518	1.8
225.09048	15.2
227.07138	3.2
227.10585	34.6
231.07970	1.1
235.07637	1.2
237.05302	1.0
237.09024	4.3
238.06224	11.0
238.09755	3.6
239.07019	3.4
240.07767	3.7
241.08530	4.6
241.12149	1.1
249.09044	4.3
252.07677	2.3
253.08527	20.0
253.12167	16.5
255.06284	1.9
255.07291	1.3
255.10112	21.6
267.10135	5.8
269.08072	6.5
269.11493	1.6
270.08807	1.1
272.10300	2.0
281.11731	4.6
282.94675	1.0
285.11142	12.6
287.12714	30.4
298.11887	2.0
300.01501	1.2
301.14395	1.2
313.14236	11.9
331.15387	2.1
351.08334	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96420	1.2
53.82444	1.3
55.05435	2.0
56.96483	8.1
57.06990	1.6
60.43388	1.4
67.05419	2.4
70.06496	3.0
72.62112	1.4
79.05396	8.4
81.03325	2.5
81.06981	3.0
83.04870	2.0
84.08042	2.1
86.09613	3.1
88.74214	1.5
91.05405	48.6
93.02081	1.5
93.06966	2.6
94.04108	4.1
95.04882	10.3
97.02805	3.4
98.97517	3.7
102.61687	1.5
103.05396	8.0
105.06984	12.7
107.04893	11.0
109.06474	3.8
110.07112	1.9
111.04330	1.6
115.05357	3.5
116.98521	2.8
117.06956	3.7
119.04883	22.2
121.06432	10.7
122.03612	12.5
122.34779	1.6
123.08028	2.0
127.03915	2.3
128.06172	8.3
129.06976	29.9
131.04874	6.9
131.08536	2.6
133.06436	4.0
135.08051	12.0
136.05177	3.3
137.05943	100.0
145.06488	3.5
146.03629	2.2
146.99577	2.0
147.04431	2.5
147.08031	1.8
149.05971	8.9
151.03880	3.3
151.07516	59.9
152.06097	5.5
153.06966	4.1
157.06438	11.5
161.05931	19.7
161.09671	2.2
163.07503	20.1
165.06950	23.9
165.09061	3.1
167.07083	4.1
167.08466	27.6
169.06425	2.1
171.11540	2.3
174.06702	10.4
175.07410	2.8
177.06845	2.9
178.07684	13.1
179.08514	4.2
181.06400	7.6
182.07222	6.6
183.07964	2.3
184.08768	1.8
189.09068	22.0
192.09229	2.1
193.06508	11.5
193.08244	1.6
193.10037	12.1
194.07227	6.9
195.08017	32.1
197.05934	8.9
203.08508	2.3
205.06404	3.8
209.09537	4.1
210.06741	12.5
211.07481	7.3
212.08331	8.3
220.08815	2.2
221.05991	12.7
221.09554	16.1
223.07472	18.4
224.08258	6.8
225.09064	14.9
227.06973	3.5
227.10580	28.5
234.06606	2.0
237.09099	2.1
238.06134	8.6
238.09862	2.7
239.06931	3.9
240.07695	7.2
241.08578	2.1
249.08984	8.4
252.07870	2.1
253.08519	16.1
253.12193	12.3
255.06467	2.9
255.10126	20.9
267.10120	9.7
269.07944	9.5
272.10565	5.4
281.11639	3.5
285.11102	14.2
287.12747	27.5
310.08734	2.2
313.14175	9.5
313.17755	3.0
331.15393	7.7
335.71219	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	2.1
54.82074	1.7
56.96481	7.4
61.84521	1.5
65.03851	2.2
65.54262	1.6
67.05415	2.6
69.03337	2.1
69.06992	2.1
70.06506	3.7
70.19877	1.5
72.08060	1.6
72.61637	1.5
74.47289	1.7
77.81741	1.6
81.06979	6.3
81.24655	1.6
84.08073	2.2
86.09622	2.2
91.05400	46.4
93.06990	2.3
94.04116	3.7
95.04865	6.9
98.97510	3.8
103.05360	9.0
105.06961	11.2
106.92639	2.0
107.04889	10.5
109.06454	4.2
109.10160	1.7
115.05399	4.0
116.98555	7.5
117.06902	2.0
119.04876	22.6
119.08513	2.0
121.06454	13.0
121.10080	1.9
122.03580	18.5
127.03845	2.7
128.06145	7.9
129.06961	21.3
131.04875	11.6
131.08473	2.9
133.06436	3.9
134.03526	2.0
134.99605	4.0
135.07980	8.6
136.05164	6.8
137.05945	100.0
145.06468	7.7
146.03601	1.9
147.04359	2.6
149.05957	9.2
150.06714	2.6
151.03893	8.4
151.07520	69.6
152.06206	7.6
157.06418	14.3
161.05948	14.7
161.09587	2.8
163.07510	17.8
165.06961	16.5
165.09047	3.5
166.07675	2.7
167.06973	7.3
167.08508	27.7
169.06354	2.0
174.06743	9.2
175.07478	3.2
178.07715	10.9
179.08533	2.9
181.06430	11.8
182.07243	6.9
183.07851	2.3
189.09073	21.3
192.09300	3.3
193.06468	13.1
193.08199	1.7
193.10086	13.0
194.07237	3.3
195.07993	37.9
196.08740	1.9
197.05943	9.5
199.73416	1.6
202.07776	2.9
203.08536	3.3
205.06419	2.7
207.08096	2.5
207.10094	2.3
209.05992	3.6
209.09518	4.1
210.06708	11.5
211.07396	4.2
212.08286	7.2
219.08018	2.4
221.05888	10.5
221.09593	16.2
222.06784	1.9
223.07507	17.8
224.08218	7.1
225.05482	2.0
225.09044	13.8
227.06999	4.0
227.10591	32.3
237.09038	3.6
238.06168	11.0
239.06998	2.2
240.07689	2.4
241.08597	2.1
249.09073	3.6
252.07626	2.9
253.08496	20.2
253.12169	18.0
255.06860	2.4
255.10068	20.9
266.09164	2.0
267.10065	9.2
269.07867	4.2
272.10483	2.3
281.11606	4.1
285.11124	8.7
287.12662	32.9
313.14307	11.8
331.11749	2.5
331.15240	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06351	1.2
55.01807	2.4
55.05440	1.5
59.52361	1.4
65.03856	1.6
70.06491	2.1
71.26389	1.5
79.05407	5.9
81.06966	2.2
86.09621	2.7
90.08684	1.4
91.05404	42.9
92.10249	1.6
94.04086	5.6
95.04893	9.3
98.97523	1.7
100.49741	1.5
103.05411	7.8
105.06959	10.3
107.04860	10.9
109.06450	7.9
115.05430	3.2
117.03263	1.5
117.06959	3.3
119.04881	28.9
120.08038	1.6
121.06470	8.6
122.03594	9.5
128.06189	8.3
129.06955	18.5
131.04889	6.2
131.08560	2.3
133.06493	2.3
135.08020	10.1
136.05193	6.9
137.05951	100.0
145.06419	2.4
147.07927	1.7
149.05948	9.4
151.03864	3.3
151.07516	63.8
152.06210	8.2
154.07788	2.0
155.08363	1.6
157.06450	14.4
160.05269	1.8
161.05960	24.0
161.09540	2.9
161.34122	1.6
163.07539	16.6
165.06955	22.5
165.09074	3.1
166.07719	2.8
167.08508	31.0
169.06421	1.9
174.06750	9.7
175.07520	2.1
177.06937	2.2
178.07767	11.6
179.08508	2.7
181.06473	7.6
181.10077	1.6
182.07249	3.3
189.09053	19.6
190.07831	1.6
191.08441	1.6
192.09248	2.8
193.06532	11.9
193.10092	11.3
194.07234	3.1
195.08015	31.2
197.05948	9.9
202.07765	1.8
203.08568	2.8
206.07315	2.3
207.10127	2.4
209.05913	3.0
209.09576	3.3
210.06700	14.6
211.07567	6.3
212.08272	6.1
219.07967	2.1
220.08762	2.1
221.06009	14.0
221.09526	14.6
223.07481	15.4
224.08255	6.9
225.09096	12.3
227.07201	2.3
227.10582	27.9
237.09012	2.0
238.06209	9.4
238.09799	2.1
239.06929	1.8
240.07698	3.4
249.09126	6.6
251.06798	2.2
252.07771	2.3
253.08482	19.9
253.12122	15.2
255.10085	20.6
267.10086	10.3
267.22580	1.5
269.07986	10.1
270.08881	3.1
272.10324	6.7
281.11612	3.1
285.11130	14.3
287.12729	31.1
290.98553	2.0
313.14154	6.8
331.15454	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	331.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02170	1.4
54.04079	1.7
54.76239	1.8
55.01813	2.0
55.05466	1.9
56.04960	7.7
56.12241	1.5
57.03371	1.9
61.01084	2.6
67.05421	3.5
67.28993	1.6
69.03349	2.6
69.06995	3.2
69.14323	1.5
70.06513	28.6
72.08061	4.3
79.05403	4.0
81.03309	3.1
81.06976	9.2
84.04424	8.5
84.08070	16.6
85.02831	3.1
86.09636	37.3
91.05411	49.0
93.06979	2.5
94.04133	2.5
94.87233	1.7
95.04883	13.1
95.08532	8.9
97.02863	2.3
97.45253	1.9
98.97517	7.1
102.05470	2.2
103.05419	14.9
104.05239	1.7
105.06989	12.0
107.04897	18.0
107.08560	2.9
109.06464	12.5
109.10117	4.4
110.07125	3.8
112.08677	2.8
115.05424	2.7
116.07092	2.9
116.98564	8.2
117.06996	4.2
119.04905	25.8
119.08603	2.0
120.08095	8.1
121.06518	12.9
122.03622	14.1
123.07244	1.9
123.08007	17.6
128.06184	3.9
129.06953	25.7
129.10191	7.2
130.06580	2.5
131.04929	15.2
131.08577	3.7
133.06502	3.3
134.99631	3.0
135.08057	9.7
136.05154	3.3
137.05959	100.0
139.92580	1.6
145.06450	4.3
146.03661	2.7
148.05228	2.2
149.05956	11.2
149.75922	1.6
151.03873	3.2
151.07527	74.3
152.06221	8.6
153.06920	2.2
153.30272	1.7
154.07655	1.9
157.06474	13.8
158.07196	2.4
161.05952	26.3
161.09589	3.5
163.07506	19.2
165.06955	22.8
165.09071	2.5
166.07722	4.1
167.08501	28.8
169.06467	2.2
173.12823	3.5
174.06749	10.3
175.07434	3.7
177.00688	3.8
177.07063	2.5
177.08902	1.7
178.07735	10.1
179.07031	2.3
179.08514	2.4
181.06410	4.2
181.10150	2.5
182.07233	7.8
189.09084	20.6
192.09331	3.1
193.06433	12.9
193.10088	11.4
194.07224	8.0
195.08028	38.0
196.08800	2.8
197.05946	7.9
197.09457	1.8
198.06856	2.2
201.12413	2.1
203.08620	2.0
207.04512	2.1
209.05951	7.9
209.09372	2.2
210.06723	15.5
211.07509	3.2
212.08325	7.2
219.07874	2.2
221.05989	8.8
221.09558	16.8
223.07472	17.2
224.08293	8.9
225.05287	3.0
225.09180	13.6
227.07076	2.5
227.10631	32.3
237.08954	2.5
238.06183	8.1
238.09724	2.7
240.07724	4.1
241.08501	2.0
249.09056	6.8
251.10986	2.0
252.07951	3.0
253.08577	16.6
253.12137	16.3
255.10205	21.2
267.10019	4.2
269.08020	7.3
271.11984	2.7
272.10403	3.2
281.11591	3.2
285.11230	10.6
287.12750	32.7
313.14291	8.9
331.15875	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88823	1.6
53.03879	2.6
55.01814	2.5
55.05442	3.5
56.04964	4.6
56.96498	8.6
57.03385	3.7
60.04450	2.7
61.01078	2.4
63.01060	1.9
63.24696	1.7
63.89090	2.1
67.05419	8.6
69.03334	9.1
69.06985	4.1
70.06508	32.6
71.08565	2.0
72.08070	11.1
73.06197	1.8
74.05943	1.9
75.34541	1.6
79.05388	3.9
81.03346	3.7
81.06964	11.9
84.04411	9.1
84.08086	18.0
85.02797	2.5
86.09626	38.0
88.03896	2.2
91.05406	55.8
93.06966	4.1
94.04122	3.1
95.04906	18.3
95.08524	12.4
97.02848	2.2
98.97499	12.7
103.05422	16.0
105.06987	16.4
107.04885	22.3
107.08557	4.2
109.06484	17.6
109.10103	14.8
110.07130	9.9
111.04427	2.5
112.08669	2.1
115.08660	2.3
116.98569	9.0
117.06968	2.9
119.04884	28.5
119.08498	2.7
120.08055	11.0
121.03944	2.6
121.06453	9.2
122.03600	12.8
123.04343	2.3
123.08038	22.5
127.03835	2.5
127.62967	2.2
128.06192	8.2
128.10666	2.4
129.06972	25.3
129.10202	10.6
131.04912	13.3
131.08510	2.7
133.06444	3.2
133.10120	2.5
134.99615	14.3
135.08018	11.2
136.05153	2.8
137.05945	100.0
145.06448	3.6
147.04401	4.4
147.08044	2.9
149.05933	9.8
150.06627	2.6
151.03860	10.0
151.07513	86.0
152.06172	2.6
153.06940	5.2
157.06403	17.0
159.07880	2.3
161.01250	3.2
161.05908	22.0
161.09465	2.4
163.07475	24.8
165.06955	17.8
165.09039	3.9
166.07690	4.7
167.08498	34.5
173.12846	5.0
174.06671	9.1
175.07523	3.7
177.00693	4.3
177.06883	3.6
178.07751	13.4
179.08516	3.0
181.06450	12.5
182.07220	4.6
189.09033	24.9
192.09274	3.2
193.06491	12.4
193.10100	13.5
194.07243	5.2
195.07991	41.7
197.05930	9.8
197.09685	2.6
203.08612	2.6
207.07890	3.3
207.10182	2.4
209.05894	3.7
209.09518	2.8
210.06752	19.0
211.07510	4.3
212.08276	10.4
221.05919	15.3
221.09608	13.9
222.06650	3.3
223.07491	16.1
224.08171	3.9
225.05426	2.9
225.09105	17.6
227.06920	2.4
227.10623	33.2
238.06203	11.2
238.09935	3.0
239.06891	3.2
252.07745	2.7
253.08519	20.6
253.12152	14.1
255.06396	2.5
255.10098	23.0
265.11813	2.6
267.10065	5.3
269.07983	4.2
281.11737	3.2
285.11035	15.7
287.12659	36.2
301.92899	2.5
311.12445	4.0
313.14603	16.6
343.15546	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02316	0.2
54.81539	0.1
56.04919	0.2
56.24176	0.2
57.27097	0.2
58.75173	0.2
76.07061	0.2
79.05409	0.8
84.04417	0.4
86.09632	1.3
91.05368	0.2
92.10235	0.3
92.10758	0.5
93.06963	1.4
95.04910	0.3
103.05405	6.6
107.04904	1.9
110.37651	0.2
120.08052	100.0
121.08375	0.8
131.04892	2.7
149.05946	1.0
166.08595	19.1
182.92909	0.2
200.10262	0.3
311.67722	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01799	0.8
55.05442	2.0
56.96508	0.4
57.06982	0.4
57.16847	0.4
60.72844	0.4
67.05425	1.7
67.70014	0.5
69.03341	0.8
69.06985	1.1
79.05395	1.8
81.06966	2.2
83.08519	1.6
83.99205	0.5
91.05405	12.6
93.06966	2.2
95.08514	2.3
98.97504	0.8
103.05431	0.7
105.06986	2.3
107.04886	4.4
107.08537	0.8
109.10112	0.9
111.08018	0.5
116.98581	0.7
117.06937	4.2
119.08530	25.0
121.06445	2.6
121.10065	0.8
127.03880	0.6
128.06207	0.6
129.06941	2.8
131.04922	0.5
132.05658	13.5
134.99654	0.8
145.06456	1.0
145.10071	0.7
147.08022	100.0
148.08351	2.1
149.09636	0.6
159.08037	1.9
161.09541	0.9
173.09604	4.9
177.00642	0.6
197.09558	0.8
198.10228	0.6
199.11153	1.0
209.09470	0.6
211.11183	1.0
253.15866	0.8
262.13193	0.6
265.12225	0.4
277.15817	0.6
295.16833	1.9
297.06964	0.5
312.22861	0.5
313.17767	0.7
319.22397	0.8
331.18774	5.2
353.53833	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1899
Annotation	Spiramilactone B
Peak:m/z	Relative Intensity
54.81580	2.3
55.05445	13.6
56.96490	11.3
58.97209	2.5
61.02871	3.7
67.05412	6.8
69.03334	6.0
69.06960	4.8
71.04886	2.5
71.21684	3.0
79.05408	6.2
81.06972	15.9
81.44375	2.6
85.02806	5.8
86.09632	2.9
91.05392	14.1
92.10158	5.3
93.06951	13.5
95.04867	2.7
95.08525	5.4
98.97485	4.5
105.06924	19.6
107.08523	12.8
109.06479	6.4
116.98539	4.7
117.06962	4.6
119.04909	3.5
119.08511	11.2
120.88587	2.8
121.06425	6.7
121.10070	4.4
127.03878	3.4
128.06142	6.5
128.71294	2.9
129.06953	13.3
131.08521	13.8
133.10089	3.5
134.99672	4.5
135.08008	4.9
141.06978	5.6
142.07721	14.7
143.08565	29.4
145.06429	5.3
145.10092	12.4
147.08066	2.8
153.07002	6.5
154.07747	11.7
155.08508	32.0
156.09325	11.7
157.10118	27.4
159.08041	6.5
160.33150	2.9
165.06920	7.0
167.08514	10.9
168.09209	3.9
169.10052	40.1
170.10817	12.9
171.07928	5.1
171.11642	40.1
173.09557	5.8
180.09270	4.1
181.10049	10.4
183.07976	4.5
183.11646	13.3
185.09442	3.9
185.13187	24.5
187.11116	3.8
193.10175	5.5
195.11617	16.4
197.09662	3.3
197.13200	6.3
198.10364	3.5
199.11179	5.7
205.09993	3.0
209.13228	14.4
211.11075	4.7
211.14755	6.8
213.12666	34.0
225.16270	4.7
235.14645	4.1
237.12743	4.1
241.15714	3.7
253.15794	11.6
271.16907	19.3
285.18454	4.0
295.16858	5.4
313.17899	100.0
314.18250	4.6
331.11670	5.3
331.18939	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	331.1901
Annotation	Spiramilactone B
Peak:m/z	Relative Intensity
51.69548	0.9
53.03878	1.7
55.01816	1.7
55.05449	8.4
56.96494	5.6
57.07003	1.8
57.57276	1.1
59.04924	1.2
61.14588	1.1
67.05417	6.2
69.03335	5.3
69.06986	6.4
70.01142	1.2
71.04903	1.5
79.05404	8.5
81.06967	6.5
83.04887	8.3
84.07394	1.2
84.97359	1.1
85.02820	4.5
91.05427	10.4
93.06988	6.9
95.04917	2.2
95.08537	5.0
97.06452	1.9
98.97515	2.2
105.06989	12.3
107.08551	10.6
116.98576	2.3
117.06933	4.9
119.08545	9.4
121.06427	1.7
121.10094	2.2
123.04221	1.3
123.08038	2.6
127.03800	1.8
128.06232	2.0
129.06975	7.5
131.08566	10.5
133.02711	1.4
133.10081	5.5
134.99629	1.9
135.07996	2.8
137.05968	9.8
141.06978	5.0
142.07784	6.6
143.08571	15.9
144.09343	1.4
145.06435	2.1
145.10094	5.5
147.07983	1.7
149.09535	1.6
151.07549	1.9
153.06943	2.2
155.08527	9.5
156.09279	11.9
157.10112	20.7
159.07983	6.9
159.11667	6.7
161.09564	5.5
165.06999	5.7
167.08478	2.0
168.09290	5.5
169.10088	8.4
170.10867	7.7
171.11644	35.7
172.08910	1.6
173.09648	3.0
173.13197	2.5
173.30083	1.5
175.11227	2.1
178.07755	1.6
179.08527	2.5
180.09250	2.5
181.10078	8.0
182.10886	5.4
183.07964	3.0
183.11615	20.7
185.09549	1.7
185.13229	12.7
186.10329	1.8
187.11134	1.7
189.09055	2.6
192.09209	2.2
193.10046	5.3
194.10773	2.2
195.11662	15.4
196.08827	5.5
196.12386	6.6
197.01099	1.8
197.09633	5.2
197.13208	11.9
198.10393	2.4
199.11108	2.2
199.14825	2.0
201.12611	2.4
207.11633	5.4
208.12369	2.7
209.09779	1.9
209.13164	9.0
210.13948	11.2
211.11177	11.0
211.14850	9.0
213.12688	15.6
219.11687	5.7
221.13162	5.1
223.11172	5.7
223.14819	5.7
224.15547	3.0
225.16318	15.8
234.13983	6.0
237.12648	4.9
238.13272	2.2
239.14082	4.5
239.17912	7.4
241.15858	2.1
247.11240	2.8
249.16458	4.8
253.15817	8.4
262.13483	1.7
267.17349	6.6
269.18875	6.2
277.15823	2.8
285.18500	1.5
295.16888	16.4
312.16953	1.3
313.17920	100.0
331.11624	2.9
331.18933	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	331.1898
Annotation	Libertellenone F
Peak:m/z	Relative Intensity
53.90050	6.4
54.14627	7.3
55.01808	12.2
55.05449	58.6
56.96502	12.9
57.07018	13.1
58.27967	5.2
58.85568	5.3
65.79893	5.8
67.05412	15.8
69.06978	27.4
71.04897	9.7
72.40267	7.3
79.05393	43.5
81.06978	36.5
83.04884	62.3
83.08526	10.2
85.02800	10.8
88.65508	6.9
91.05398	56.4
93.06982	73.8
95.04884	12.7
95.08528	32.6
95.47364	6.3
97.06459	11.8
105.06960	48.7
107.08524	51.7
108.47890	7.2
116.98558	16.4
117.06985	15.0
119.08492	34.7
119.09283	7.8
121.06436	16.0
121.10106	49.3
123.07973	12.7
125.51640	7.1
127.03860	8.4
129.07022	8.3
131.08508	14.6
133.10115	15.6
135.08014	100.0
139.47350	6.6
143.00073	9.5
143.08510	11.2
145.10072	11.5
149.05931	10.5
149.09575	72.8
155.08600	10.5
157.10100	28.7
159.08046	13.4
161.09538	8.6
163.07516	14.5
169.10019	9.0
171.11754	11.6
173.09560	7.8
177.09079	46.0
179.08534	9.8
182.80620	8.2
183.11731	7.4
185.13217	15.2
187.11185	11.4
197.13232	11.3
199.11119	8.6
213.12665	9.6
225.16293	11.1
295.16953	10.9
313.17935	52.7
331.19034	59.3
344.52744	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	331.1903
Annotation	Momilactone B
Peak:m/z	Relative Intensity
55.05440	74.6
56.96495	35.6
67.05412	95.7
69.06967	18.5
73.02843	19.7
75.48712	16.9
79.05388	35.9
81.06950	73.2
83.04909	47.6
83.08530	18.2
91.05399	100.0
93.06944	88.4
95.08540	45.7
105.06979	45.4
106.23641	18.1
107.08506	97.4
109.10113	22.1
111.08042	26.1
117.06969	21.9
119.08506	27.5
121.10107	34.0
127.03844	30.1
133.09999	23.1
134.99605	21.5
135.08008	94.9
135.50783	17.9
143.08572	24.5
145.10075	19.9
149.09564	73.4
161.09622	23.3
244.10641	19.7
313.17966	29.1
325.38528	19.9
331.11780	27.7
331.18738	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	331.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	6.9
56.04958	1.7
56.96493	3.3
57.06993	1.4
60.04418	0.7
67.91618	0.8
69.03323	1.0
69.06978	1.7
70.06506	13.6
71.05332	0.8
71.08521	1.1
72.08066	100.0
81.03314	0.9
82.06481	1.2
83.06016	10.7
84.04413	13.0
84.08066	10.5
84.95936	1.0
85.02796	4.3
86.09149	1.5
86.09624	30.5
89.07070	5.8
91.05447	1.2
94.06427	0.9
97.02825	1.4
97.03916	0.9
98.97459	1.0
100.35969	0.7
101.07062	1.8
108.08052	0.9
110.06009	1.5
110.07072	3.0
111.04340	0.8
113.03397	1.1
116.07030	5.0
116.98557	1.1
117.07325	1.0
120.08022	1.3
124.07557	1.1
127.03879	1.3
129.06577	0.8
129.10185	23.7
130.06436	1.5
132.04381	0.9
132.10144	4.4
134.99625	0.8
136.07576	1.3
146.06041	1.1
151.03873	1.1
154.09706	5.5
155.08145	3.4
157.07597	1.6
157.09695	7.3
158.05978	1.0
159.09157	1.0
161.01190	1.6
166.04942	3.3
167.06932	1.6
175.08551	1.8
175.10709	6.6
183.07635	1.8
189.04800	0.8
197.12804	1.0
200.10243	4.0
230.35181	0.9
242.14943	0.9
243.13898	0.9
256.16437	2.9
313.18787	3.3
314.14679	1.0
331.07831	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33370	0.4
55.05438	2.0
56.04964	3.0
57.03365	0.6
58.40059	0.4
59.04930	0.4
59.73119	0.5
60.04460	0.5
62.85063	0.4
62.92894	0.6
63.23602	0.4
64.92709	0.8
69.03342	2.4
69.06974	2.2
70.06514	6.8
72.08061	9.6
73.02815	0.6
74.06030	0.6
77.05680	0.4
81.03329	0.9
83.06029	0.7
84.04422	52.2
84.08060	23.8
85.02820	3.9
85.06388	0.5
86.09621	100.0
87.09966	0.7
92.63977	0.5
97.02836	2.2
98.97514	2.1
101.07070	7.5
102.05472	2.9
108.08072	2.0
110.07102	1.1
112.07545	0.8
112.08714	0.7
115.08633	0.9
116.07014	0.9
116.98581	1.9
119.01850	0.6
124.07503	0.6
127.03912	1.1
129.10188	18.8
130.04958	68.6
130.08595	0.9
131.05305	0.5
132.10127	0.5
134.99669	0.8
136.02142	1.1
136.07549	0.9
138.05489	0.5
147.07613	45.8
148.06027	3.3
152.06841	7.5
157.13330	20.5
163.06219	0.7
164.01611	0.9
164.05173	0.6
164.07089	2.3
173.49615	0.6
177.00572	0.6
185.12798	4.9
196.04248	0.8
200.13966	1.0
203.05257	3.7
209.06853	0.6
210.02158	0.7
212.07677	0.6
215.99414	1.0
216.99757	0.6
217.99202	5.5
219.09723	1.8
260.16034	3.0
286.89664	0.6
314.06738	0.7
314.12393	0.7
331.15628	0.6
331.19739	1.0
331.23346	2.2
332.02200	1.0
332.13318	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00243	0.8
55.05445	0.8
56.04961	3.7
56.96498	1.3
60.04450	0.6
65.03854	1.0
68.04907	0.6
69.03333	2.9
69.06989	9.7
70.06501	12.7
71.06843	1.5
71.07208	0.5
72.08069	5.2
72.08409	0.5
74.05961	1.3
83.05518	0.8
83.06019	26.9
84.04423	45.4
84.08064	9.9
85.02800	2.8
86.09620	100.0
90.05475	14.4
96.02467	0.5
96.04391	1.2
97.02795	1.2
98.97507	1.0
101.07078	5.2
102.05463	3.7
110.07110	0.9
111.04367	2.6
111.66611	0.6
113.07121	0.7
116.98540	1.4
120.08035	1.0
127.03884	0.7
129.06549	7.5
129.10164	3.4
130.04962	0.8
131.11754	6.5
134.99503	0.7
137.05920	3.6
147.07605	0.7
152.10658	2.8
154.09717	0.8
155.08141	1.4
157.13316	1.1
166.08575	1.2
169.04808	0.7
172.08641	1.2
185.12839	1.0
187.09721	0.7
196.14421	11.2
197.12825	11.6
198.06592	0.7
200.10262	10.5
201.08646	5.6
208.09636	1.0
214.15459	2.6
215.13968	1.4
218.11349	2.5
219.01791	0.6
224.13837	1.1
225.12254	3.4
242.14934	9.8
243.13339	0.8
313.13562	0.7
313.18549	5.4
314.16855	0.8
315.26364	0.6
331.13232	0.9
331.19415	1.3
332.13339	0.8
339.26300	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2476
Annotation	Tianshic acid
Peak:m/z	Relative Intensity
53.03879	3.4
53.62616	2.9
55.01815	8.2
55.05449	56.6
56.96484	16.6
57.03363	5.9
57.07002	6.9
67.05421	80.8
69.06983	64.9
71.04905	5.1
71.08532	3.6
76.56264	3.4
79.05405	50.0
81.06978	98.1
83.04907	7.4
83.08537	27.2
85.02819	5.3
88.31931	3.4
88.98173	3.9
91.05405	39.8
93.06985	60.6
95.04865	8.7
95.08524	100.0
97.06443	18.8
97.10084	6.0
104.17010	3.9
105.06963	21.4
107.08501	21.7
109.06486	4.9
109.10078	26.9
111.08019	5.5
116.98596	5.3
117.06960	4.6
119.08530	32.9
121.10072	14.1
123.08025	17.8
123.11721	13.6
125.09585	6.0
127.03841	7.2
129.06949	5.1
133.10078	8.8
135.11624	14.9
137.09560	15.7
139.11093	6.1
147.08051	28.2
147.11667	5.5
153.12767	3.9
154.67950	3.6
159.10138	7.6
161.13225	4.4
165.09001	5.0
165.12749	5.4
259.01181	7.1
259.20511	6.3
277.21506	22.0
295.22681	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2838
Annotation	1-Monopalmitin
Peak:m/z	Relative Intensity
53.00220	4.3
54.03323	4.6
55.05436	11.1
57.03364	5.4
57.07003	100.0
65.07587	5.1
67.05411	34.4
69.06960	22.1
71.08542	63.8
75.30141	4.3
81.06962	33.5
83.08525	25.0
85.10098	31.3
92.63248	6.5
95.08527	49.0
109.10080	22.6
127.03837	10.7
133.34387	5.0
150.02380	5.0
150.88312	4.4
239.23547	7.1
313.27130	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	331.2839
Annotation	1-Monopalmitin
Peak:m/z	Relative Intensity
54.81548	2.3
55.05441	16.1
57.06734	4.6
57.07008	100.0
57.42829	2.4
59.90041	2.4
67.05415	22.2
69.06970	6.5
71.08540	60.7
81.06960	28.5
83.08520	6.3
85.10097	23.9
95.08535	32.3
97.10085	5.6
109.10088	6.2
155.94743	3.3
209.67990	3.0
236.43846	2.9
239.23595	6.6
313.27264	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05440	19.6
57.03366	6.2
57.07003	100.0
61.77792	4.1
61.85354	4.1
62.58111	4.3
62.83973	4.3
67.05414	20.6
69.06985	10.2
71.08543	54.6
81.06967	24.3
83.08507	9.9
85.10094	21.7
95.08552	34.9
97.10098	8.2
97.59665	4.5
103.53026	5.3
109.10101	8.7
109.19305	5.3
127.03876	19.7
230.43553	5.3
239.23680	7.4
292.69751	6.1
313.27206	22.9
330.33014	6.4
331.33807	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	331.2839
Annotation	1-Monopalmitin
Peak:m/z	Relative Intensity
55.05443	18.0
57.03371	4.6
57.06732	4.3
57.07007	100.0
67.05425	23.6
69.06967	16.3
71.08540	64.2
75.04420	2.5
77.69131	2.9
79.05398	2.6
81.06972	37.0
83.08504	18.7
85.10114	23.6
85.51932	2.8
86.03777	2.4
92.10314	3.1
93.06937	5.3
95.08533	42.3
97.10107	5.7
107.08494	2.6
109.10103	14.7
113.37688	2.9
119.08514	3.6
123.11642	4.4
127.03877	12.5
141.01813	3.4
178.85547	2.6
223.32585	3.3
233.44722	2.6
239.23633	10.3
313.27301	32.5
331.18781	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	332.116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01805	0.6
55.05438	2.7
56.04960	1.0
56.96499	1.0
57.07002	0.4
64.33521	0.4
68.52940	0.4
69.03350	0.9
69.06973	0.5
70.06516	3.0
71.04946	0.5
72.08067	20.4
73.02814	0.4
79.05415	0.8
81.03351	0.6
81.06960	2.8
82.06491	2.7
84.03942	0.7
84.04426	16.0
84.08044	2.8
85.02825	2.1
86.09626	23.4
88.03917	3.6
91.05396	3.5
94.04129	0.6
95.04890	0.9
96.04379	0.5
96.08031	0.7
97.02787	0.5
98.02329	0.6
98.97501	0.6
102.05476	13.9
105.06971	3.1
107.04885	0.6
107.27025	0.4
109.06448	2.2
110.05994	1.9
111.04413	0.5
116.98579	0.8
117.28813	0.5
119.04901	4.5
120.10237	0.4
122.03603	3.3
123.07970	0.5
124.07572	0.8
127.07769	0.4
127.08575	2.9
128.07047	2.1
132.10165	8.3
133.06447	2.0
137.05951	100.0
138.06329	0.8
139.03909	0.4
142.08604	5.1
147.04376	6.5
151.07498	5.0
152.07027	0.9
153.05420	3.1
154.06212	0.7
155.08124	7.5
157.13361	0.5
161.01218	0.7
161.05975	0.8
163.03908	0.8
169.09653	0.6
170.08116	2.2
173.09174	5.3
178.06168	1.4
179.06975	5.2
183.07678	0.8
187.10760	10.0
197.12901	0.8
201.08653	3.5
202.08665	0.6
211.07593	1.0
211.09602	29.1
215.10237	2.5
242.26407	0.4
314.16815	0.5
332.24481	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1335
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03874	0.7
54.24222	0.3
57.03361	0.9
61.02851	1.8
63.75234	0.3
65.03860	0.9
67.05428	2.5
69.03342	6.8
73.02830	1.6
79.05395	1.0
80.04911	0.5
80.92522	0.4
81.03306	2.0
81.05712	0.4
81.06969	0.8
85.02817	8.3
86.09624	2.3
87.04377	1.6
93.97001	0.4
96.08051	1.0
97.02805	3.4
106.06497	5.6
108.08053	100.0
108.68319	0.4
109.02820	0.4
109.08419	0.7
123.06743	4.4
124.07543	18.4
127.03873	0.8
134.05974	12.5
136.07539	11.7
140.70668	0.4
152.07036	66.3
153.07373	0.7
154.08617	1.5
170.08049	3.3
263.75232	0.4
271.26065	0.5
314.12234	15.6
332.13315	31.1
333.13699	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47015	0.6
53.03883	0.6
54.68324	0.6
55.05451	9.9
56.04971	21.9
56.96495	1.0
57.03364	1.1
58.06528	12.2
60.04454	0.7
67.05434	1.2
68.04955	0.7
69.03342	1.4
69.06979	4.0
70.06509	14.8
71.04918	0.8
72.08067	99.8
73.03941	3.7
74.05985	60.6
79.05413	2.9
81.06966	4.2
82.06491	1.5
83.04906	1.3
83.06031	1.2
83.08519	0.8
84.04426	26.5
84.08065	20.1
85.02821	1.7
86.06013	1.1
86.09624	53.7
88.03925	1.2
91.05396	1.2
93.06962	1.2
95.04902	1.7
95.07256	0.9
95.08529	1.4
96.08052	3.6
97.02821	1.1
98.97489	1.2
101.07068	42.7
101.07742	1.4
102.05459	3.7
103.05395	1.5
105.06978	1.1
107.04887	4.3
107.08533	3.7
108.08036	1.7
109.06498	1.3
110.07108	8.6
110.09624	11.5
111.04376	3.1
112.07549	3.6
112.11164	3.7
116.83569	0.8
117.06957	0.7
120.08070	7.3
121.02810	1.4
121.06435	1.8
128.09769	1.6
128.10666	30.5
129.10199	19.4
130.04959	1.5
130.06502	1.5
132.10139	3.6
135.07996	1.6
136.07567	1.7
136.53084	0.8
137.05919	1.3
138.09103	1.6
139.03874	1.2
142.12244	3.9
143.11766	1.7
153.12643	0.9
153.38045	0.9
155.11746	1.7
167.07112	1.0
171.10104	1.1
173.12811	100.0
174.13274	1.2
187.14371	27.6
201.08636	0.8
201.12288	30.5
215.13808	10.0
225.56064	0.8
231.17075	3.5
237.10172	1.0
261.11139	1.6
279.11981	0.9
332.21802	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2177
Annotation	Ser Leu Leu
Peak:m/z	Relative Intensity
56.04967	0.2
60.04456	26.7
67.53703	0.2
69.03367	0.2
69.06982	0.5
70.02869	1.4
70.06500	1.2
72.04421	1.2
72.08061	1.2
80.75795	0.2
81.07000	0.4
84.04453	0.3
84.08075	1.2
86.09624	100.0
87.05512	16.4
87.06049	0.4
87.09948	1.1
88.03901	0.4
91.05390	0.4
91.18086	0.2
93.06980	0.3
98.97534	0.3
103.05409	0.2
110.09631	0.5
112.11156	0.4
120.08053	1.2
122.73024	0.2
126.09145	0.6
128.10661	11.9
129.10123	0.3
130.06506	0.3
130.72658	0.2
132.10165	3.1
137.05986	0.5
143.11832	0.4
162.00394	0.2
173.12814	65.9
174.13158	1.2
177.00618	0.3
186.70670	0.3
201.12306	16.9
202.12569	0.3
245.18578	1.2
332.21713	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2179
Annotation	Ser Leu Leu
Peak:m/z	Relative Intensity
55.05445	0.5
56.04963	0.4
56.96502	0.5
60.04455	24.7
67.05438	0.4
69.06990	8.1
70.02855	0.6
70.06511	3.2
71.04910	0.4
72.08073	0.7
78.80663	0.3
79.05415	0.4
81.06963	0.3
84.04437	1.1
84.08075	2.6
85.02814	0.4
86.09625	100.0
87.05513	11.2
87.09957	0.7
88.03915	0.3
91.05386	1.0
95.04895	0.4
95.08523	0.5
98.97522	0.6
100.11199	1.4
103.05380	0.4
105.06487	2.2
107.04910	0.3
107.08578	0.3
109.09993	0.3
110.07163	0.4
110.09615	0.7
119.81291	0.3
120.08055	1.7
127.03901	0.3
127.11083	0.3
128.10670	16.0
132.10162	3.2
137.05945	1.6
151.07547	0.3
153.12724	0.4
155.11719	0.5
166.03255	0.3
167.07019	1.3
173.12820	58.6
174.13135	0.4
201.12309	14.5
219.13338	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2177
Annotation	Leu-Leu-Ser
Peak:m/z	Relative Intensity
53.77393	0.3
55.05447	3.5
56.04959	0.4
56.96494	0.9
57.03357	0.5
63.09835	0.3
69.06985	8.0
70.06495	1.4
72.08064	45.5
73.08398	0.7
74.05992	0.7
76.89333	0.3
77.59664	0.3
84.04424	2.0
84.08052	0.9
85.02802	1.5
86.09621	100.0
87.09959	0.7
91.05460	0.3
97.02808	0.4
98.97510	0.5
102.05470	0.5
103.05417	0.6
107.04891	0.6
110.79034	0.4
120.06510	2.7
120.08002	0.4
121.06443	0.7
127.03864	0.4
129.10240	0.6
130.04942	0.5
130.10551	0.7
149.06007	0.5
167.07019	4.5
181.08572	0.9
185.16440	17.0
189.05948	0.4
201.12332	1.4
211.09598	0.8
213.15921	10.2
219.13362	2.1
222.45433	0.3
231.17480	0.4
307.51950	0.4
314.20599	1.4
332.16495	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2178
Annotation	Ile Leu Ser
Peak:m/z	Relative Intensity
53.69127	0.2
56.04952	0.4
56.96494	0.6
59.30318	0.2
60.04452	0.6
69.03344	1.0
69.06982	6.6
70.06493	1.4
72.08067	3.1
74.05975	0.6
76.09902	0.2
82.97624	0.3
84.04444	2.0
84.08075	2.7
84.58640	0.2
85.02822	0.6
86.09621	100.0
87.09956	1.1
94.06433	0.2
95.08543	0.3
97.02825	0.3
98.97488	0.5
100.99195	0.2
106.04978	0.3
107.04913	0.6
110.07118	0.4
111.04412	0.3
116.07022	0.3
116.98542	0.4
120.08047	0.3
127.03831	0.3
129.10208	1.1
134.99643	0.5
135.04350	0.4
161.01196	0.6
167.07048	0.3
177.00592	0.4
185.16457	0.3
199.18013	11.8
201.12306	1.2
219.13341	2.0
227.17482	7.0
273.65784	0.3
314.20776	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05427	1.3
55.32432	0.7
56.42706	0.6
57.07012	8.9
67.05421	1.7
69.06982	1.0
71.08540	5.5
72.08060	4.6
79.05408	4.7
81.06965	3.5
85.10086	1.0
91.05407	1.5
95.08543	5.7
98.05968	1.5
103.05395	3.5
105.06971	100.0
109.10087	1.7
122.09618	17.0
145.92355	0.8
160.26918	0.8
171.22075	0.8
175.04430	0.9
177.84273	0.8
184.96303	0.9
203.65674	0.7
332.25772	1.3
332.29446	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	333.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	2.5
55.05453	5.7
56.04964	21.3
56.96495	4.5
57.03359	2.6
60.04454	4.8
64.05798	2.1
65.03851	3.1
69.03347	4.9
69.06980	4.2
70.06509	62.0
70.36066	2.8
72.08065	34.7
72.08428	3.8
74.05983	5.6
79.05390	2.8
80.82372	2.2
81.03324	4.0
81.06945	3.8
83.06020	70.2
84.04426	84.5
84.08073	53.5
85.02825	5.8
86.09145	4.7
86.09628	100.0
87.09982	10.1
88.03927	2.8
91.05417	3.3
92.10508	3.9
93.04459	2.7
95.04875	4.1
98.97498	4.5
99.05526	3.4
100.41904	2.4
101.07060	5.7
102.05474	5.0
107.04890	5.5
110.07114	25.0
116.07043	4.8
116.98570	5.5
118.06533	3.5
120.08059	14.9
122.03610	3.8
123.04384	10.5
125.07072	4.1
129.10185	16.7
130.06480	41.1
132.08061	21.2
134.99637	5.0
136.07590	6.1
137.05946	56.4
140.13029	2.4
144.08046	11.3
146.05971	28.5
152.04610	3.5
153.05380	4.1
159.09186	22.7
167.07014	53.2
170.06001	5.9
171.09988	2.5
177.00681	3.4
188.07018	42.1
199.17920	3.4
205.09731	2.9
219.01523	3.6
225.10178	4.3
227.17494	3.2
237.02676	2.9
256.01596	2.3
270.12363	10.7
315.14566	31.5
316.12845	16.9
333.09274	20.5
333.14832	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	333.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46993	2.3
55.08399	2.4
56.04964	14.4
56.96488	6.5
60.03941	2.5
63.43638	2.9
69.03358	4.5
69.06976	2.8
70.06502	27.0
72.08073	16.5
74.05981	7.5
78.01900	2.6
79.05407	6.3
81.03319	4.2
81.06976	2.8
83.06019	98.8
84.04425	100.0
84.07596	3.5
84.08032	22.1
85.02828	6.8
86.09141	5.5
86.09624	93.0
87.09955	14.3
93.07004	3.1
95.04874	4.1
98.97508	7.4
101.07092	3.7
102.14505	3.0
107.04888	6.2
110.07087	6.9
116.98555	6.4
118.06437	6.2
120.08013	3.4
123.04340	3.4
129.06645	4.1
129.10135	12.2
130.06499	49.8
132.08054	30.4
134.99641	6.0
136.07556	3.9
137.05986	30.5
142.06487	2.7
144.08044	11.6
146.05986	54.8
151.03955	3.0
153.05440	5.4
158.99692	3.4
159.09137	33.8
167.07036	21.6
167.27617	2.8
169.07706	4.1
170.06004	13.8
177.00594	4.4
188.07045	56.7
205.09677	4.4
209.72356	3.3
219.13379	3.6
225.10164	6.1
269.13977	6.2
270.12347	19.7
314.17130	3.2
315.14401	39.4
316.12885	21.9
333.09402	5.5
333.14349	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1329
Annotation	Catechin 5,7,4'-trimethyl ether
Peak:m/z	Relative Intensity
53.03877	0.5
54.81612	0.4
55.01800	0.6
56.96506	3.6
61.07084	0.4
65.03854	0.5
67.05416	1.0
69.03344	0.8
70.06515	2.3
74.97544	0.4
78.04623	4.4
79.05404	3.7
81.06980	1.8
84.08064	0.9
85.02827	0.5
86.09624	0.9
91.05396	4.7
93.03366	0.4
93.06964	0.7
94.04102	4.4
95.04915	2.1
95.08556	0.4
97.06439	0.6
98.97493	1.0
103.05401	1.0
105.06984	2.0
106.04111	2.3
107.04901	2.9
107.08482	0.7
109.06474	1.0
109.10113	2.0
111.04420	0.4
115.84914	0.4
116.98583	0.8
119.04903	0.8
119.08543	0.7
120.08060	1.0
121.06476	0.9
122.03594	12.6
123.04377	11.3
124.05173	4.3
126.02995	0.4
130.06506	0.8
131.04861	1.1
133.06459	0.6
134.03629	1.0
134.99632	0.6
135.08015	1.9
136.07512	0.7
137.05946	100.0
138.06308	2.2
138.86633	0.4
145.10052	1.0
146.07188	0.6
147.04372	0.8
147.07953	0.5
151.03906	2.1
151.07562	0.7
152.04660	2.4
153.05447	0.5
153.06956	1.0
155.08478	0.6
161.05920	1.1
163.07423	0.7
165.06924	3.1
165.09103	0.8
167.06993	93.6
168.05696	0.6
168.07425	1.9
181.06429	2.0
183.08037	3.3
184.05229	0.7
189.06108	0.5
196.05170	0.5
210.06700	0.5
211.07402	3.4
212.04738	0.5
213.05618	0.6
227.06909	2.3
229.04785	0.5
241.03651	0.6
243.10013	0.5
255.06345	0.6
271.09610	1.6
283.09430	0.6
288.09851	7.3
296.53125	0.5
303.12015	2.3
315.12064	0.6
332.59738	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1332
Annotation	Catechin 5,7,4'-trimethyl ether
Peak:m/z	Relative Intensity
55.01814	0.5
55.05443	0.6
56.96498	4.1
57.08909	0.5
66.04648	1.2
67.05421	1.1
69.03339	0.7
69.06984	0.8
70.06496	3.5
78.04626	4.8
79.05400	3.4
81.03317	0.6
81.06962	2.9
83.08532	0.6
85.02806	0.9
85.96472	0.6
86.09630	1.3
86.14561	0.6
91.05408	4.9
93.06977	1.3
94.04131	4.4
95.04884	3.0
95.08524	1.3
98.97477	1.1
99.04375	0.6
103.05411	0.9
105.06963	1.1
106.04099	2.3
107.04925	2.0
107.08551	2.1
109.02812	0.6
109.06453	1.0
109.10098	1.2
110.07084	0.7
115.05363	0.7
116.98562	0.9
119.04874	1.2
120.08049	0.7
122.03595	11.9
123.04381	10.0
124.05196	3.7
129.06978	0.6
129.10277	0.6
131.04852	1.2
131.08501	0.6
133.02782	0.6
134.03610	0.7
134.99609	0.5
135.04370	0.5
135.08020	1.1
135.11633	0.7
137.05954	100.0
137.09560	2.8
138.06274	2.2
139.73828	0.5
143.06885	0.5
145.06473	0.8
145.10060	0.6
147.04430	0.9
147.08101	0.5
151.03860	2.6
151.07532	1.0
152.04675	3.9
153.05501	0.8
153.06938	1.3
161.05905	0.6
163.07539	0.6
165.06955	3.3
165.09059	0.8
167.07002	92.3
168.05705	0.8
168.07271	0.8
181.06479	1.2
183.08032	2.9
195.07899	0.6
199.07434	0.8
211.07510	3.2
227.07048	0.7
228.07500	0.6
243.10103	1.3
271.09616	0.9
283.09610	0.9
288.09851	7.2
303.12231	2.0
315.12189	0.8
317.58978	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81548	0.6
55.05443	4.6
56.04963	1.5
56.96487	2.4
57.03361	1.0
60.04173	0.7
60.04454	17.9
61.02851	1.2
63.30796	0.5
68.45161	0.5
69.03337	3.8
69.06976	7.0
70.02841	0.7
70.06499	5.1
71.54902	0.6
72.04411	0.7
72.08065	38.1
73.02823	1.1
73.08382	4.6
73.24129	0.7
74.02336	2.7
74.05969	2.9
77.33674	0.6
81.03331	1.0
83.06013	0.8
84.04419	8.0
84.08057	9.4
85.02812	8.7
85.08378	0.9
86.05983	6.6
86.09621	100.0
87.05509	16.8
87.09945	1.1
88.03896	4.1
96.08041	1.1
97.02785	3.3
98.02354	1.5
98.05933	0.6
98.97484	1.5
101.01630	2.6
102.05467	1.3
106.04951	6.0
108.08056	5.0
109.08386	3.9
110.07129	4.5
110.09538	0.7
112.11146	0.6
115.04982	1.1
116.03383	2.5
116.07005	0.8
116.98541	2.5
119.01808	0.9
121.01575	0.6
124.07528	1.2
126.05392	0.7
127.03821	1.1
128.10667	6.4
128.98549	0.7
129.10184	3.9
130.04930	2.9
133.06039	17.7
134.05983	10.8
134.99597	0.9
135.06358	0.7
136.06133	1.0
136.07539	1.0
138.09035	1.4
141.10228	5.4
145.04967	1.9
145.06038	3.5
146.99638	1.1
147.07597	0.6
152.07031	10.9
153.07353	2.6
154.01788	0.6
155.11749	4.4
158.99606	1.0
159.11221	1.2
161.01140	1.5
161.02737	0.7
163.07129	1.3
165.05438	1.2
170.08112	0.8
171.06238	1.3
171.07491	0.8
171.11172	1.2
171.14868	3.5
173.12802	29.2
175.02766	1.0
177.00682	1.1
183.11240	1.5
189.00630	1.2
199.14326	1.1
200.04474	1.1
200.13826	7.9
201.12289	6.7
202.08211	1.3
219.01799	0.8
221.03244	0.8
228.13309	3.4
237.02942	0.6
243.06322	0.6
315.12823	0.8
333.11102	4.3
333.17545	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1901
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03874	3.6
55.01788	4.0
55.05438	16.2
56.04964	5.3
56.96504	4.5
57.03357	15.6
57.06991	16.1
59.04926	17.7
60.04439	12.2
61.02834	13.3
67.05415	10.5
69.03343	50.2
69.06998	19.5
70.06505	48.6
71.04895	13.4
72.08051	17.1
73.02818	5.0
73.29192	2.7
73.74146	2.2
74.05939	3.0
79.05394	3.6
81.03311	16.7
81.06967	12.2
83.08503	4.4
84.04415	14.3
84.08073	37.8
85.02821	100.0
85.06444	6.5
85.08415	3.3
86.09624	47.0
87.04375	4.3
87.09983	3.3
91.05390	12.5
93.06949	5.5
95.04890	6.3
95.08077	2.8
95.08540	50.5
97.02823	35.3
97.06445	6.3
98.05967	2.9
98.97478	4.6
99.04375	12.7
99.08002	17.0
103.05417	3.0
105.06961	6.3
107.04924	2.9
107.08505	16.7
109.02785	9.9
109.06433	5.9
109.10111	19.6
110.07077	10.9
111.08013	10.7
113.09580	34.9
116.06964	2.5
117.06985	2.6
118.06476	5.3
119.08539	4.4
120.08052	23.9
121.02755	4.1
127.03861	17.1
127.11144	27.5
129.10173	18.3
130.06480	3.1
132.08073	9.7
134.99631	4.0
135.11642	12.7
136.07545	6.0
137.05948	22.9
144.08051	3.7
145.02861	3.0
145.04900	12.3
145.09990	2.8
146.05989	34.3
147.11647	3.1
153.12703	47.2
155.14284	4.6
159.09103	12.7
167.07008	11.1
171.13756	22.7
175.42804	2.9
177.05299	5.0
180.96494	2.7
188.07051	19.6
205.09686	5.2
227.02217	5.5
262.01379	2.7
303.39200	3.3
330.91055	2.5
333.18857	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	333.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	2.8
56.96502	2.2
57.07004	3.5
81.06978	2.7
98.97517	3.2
106.31406	2.4
134.99600	2.8
302.97766	2.6
312.88693	2.5
333.20343	100.0
358.81714	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	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23177	1.1
55.58905	0.9
56.34789	1.1
56.96492	1.0
57.61572	0.9
60.90683	0.9
64.81993	1.0
65.15343	0.9
71.52789	1.0
74.60182	1.1
92.65081	1.0
95.08514	1.6
98.97518	5.1
102.84386	1.1
106.23857	1.0
116.98553	2.5
134.99629	6.1
153.00700	1.3
167.06992	2.1
178.24901	1.2
285.81738	1.0
303.65793	1.2
333.20288	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07005	10.1
63.32539	4.8
66.54363	6.2
68.66866	5.0
84.80017	5.0
93.06900	6.8
98.97491	9.6
102.05490	6.2
116.98586	11.6
119.36276	4.9
134.99634	6.5
185.10214	6.1
251.67000	6.3
311.06497	5.7
313.85107	5.6
315.19125	10.3
333.20288	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2056
Annotation	Gibberellin A12
Peak:m/z	Relative Intensity
54.81796	4.3
55.05446	5.2
56.14396	2.9
56.96498	23.4
59.09243	3.0
59.63101	2.7
60.04457	8.5
67.05428	13.9
69.06973	5.8
79.05403	8.7
81.06969	22.6
83.08532	4.6
84.82302	3.3
85.47599	4.2
91.05406	23.1
92.50801	3.6
93.06979	35.8
95.08540	18.7
98.97516	5.9
105.06979	76.8
107.08533	60.9
109.10106	8.3
116.98543	8.1
117.06999	6.4
119.08549	49.3
121.10085	30.9
124.08537	3.7
129.06956	22.7
131.08514	34.6
133.10120	14.4
134.99623	19.1
135.11641	15.8
137.05954	21.1
143.08545	85.7
145.10109	24.3
147.11661	22.9
151.07515	4.2
155.08514	5.9
156.09280	4.1
157.10106	56.0
159.11621	16.8
161.09555	5.2
161.13274	3.8
163.07498	5.1
167.07005	23.4
169.10088	7.5
171.11646	44.7
173.13190	5.7
181.12457	4.1
183.11769	6.4
183.79865	3.4
185.13234	57.5
187.14742	3.7
189.09044	6.7
195.11723	6.3
199.14793	37.5
203.02510	4.0
209.13181	7.6
227.17894	55.8
231.13722	15.7
241.19460	16.5
245.15337	16.3
269.18933	23.8
273.18393	7.3
287.20007	100.0
297.18527	6.9
315.19479	23.6
333.20404	36.9
359.17047	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	333.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07013	100.0
59.06918	3.2
71.08546	62.3
72.04916	3.5
74.15287	3.7
85.02905	3.3
85.10101	31.3
89.05463	5.0
89.05953	80.3
91.05401	15.1
94.28261	3.7
99.37634	3.4
107.06948	5.0
125.84547	3.6
133.08540	15.0
135.57892	5.0
151.09607	41.1
202.08070	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	334.1395
Annotation	Oglufanide
Peak:m/z	Relative Intensity
50.99863	0.3
53.06002	0.4
55.05443	0.5
56.04974	2.7
59.31871	0.3
69.06988	0.9
70.06504	5.0
72.08067	2.3
74.06001	0.7
84.04426	47.1
84.08066	5.1
85.04798	0.4
86.09620	3.4
88.03905	0.5
89.30510	0.4
89.85016	0.5
91.05426	0.7
92.10183	0.5
102.05466	0.9
110.07083	3.1
115.05414	1.1
116.98531	0.6
117.05699	0.6
117.06992	1.9
118.06489	32.5
119.01834	0.6
120.08055	2.0
129.10196	1.7
130.04977	6.6
130.06464	4.8
132.08046	11.1
132.71759	0.4
136.07565	0.6
137.05902	0.4
142.06493	3.9
143.07310	3.4
144.04376	0.7
144.08066	21.5
146.05984	100.0
156.07758	0.5
158.05928	0.5
159.09148	15.4
160.07552	2.1
169.07564	0.6
170.05960	9.1
180.08047	0.5
182.08392	0.5
187.08665	0.5
188.07025	94.7
189.07309	1.0
197.10684	0.5
203.03975	0.6
205.09677	17.2
224.08049	0.6
225.10188	13.3
235.66150	0.4
241.48616	0.5
246.19077	0.5
271.10721	0.6
317.11182	1.1
334.13889	7.7
351.82413	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1396
Annotation	Oglufanide
Peak:m/z	Relative Intensity
50.75826	0.7
51.29380	0.6
51.61419	0.5
51.79639	0.7
53.86003	0.6
55.05446	5.3
56.04971	10.0
56.96490	1.8
59.53344	0.8
60.04452	6.5
61.11063	0.8
63.15551	0.8
67.05418	1.1
69.03355	2.0
69.04408	0.7
69.06979	1.3
70.06145	1.7
70.06509	41.8
71.06808	0.8
72.08070	16.2
74.05979	4.1
79.05419	1.0
80.04928	0.9
83.06049	2.4
84.04428	75.2
84.08061	27.5
85.02813	6.1
85.06496	0.7
86.09627	18.8
88.03902	3.4
89.03827	0.8
91.05378	3.0
95.04898	1.2
95.05969	1.2
96.04407	1.4
97.02811	1.1
98.05972	1.6
98.97488	1.8
99.09200	0.8
101.07123	0.8
102.05478	11.6
103.05367	0.9
107.04883	4.3
108.05184	0.7
110.05953	1.0
110.07113	14.5
111.04360	1.5
111.05482	1.4
112.07540	1.1
112.08655	1.3
115.08610	1.5
116.07030	7.0
116.17412	0.9
116.98552	2.0
118.06499	17.3
120.08036	9.8
123.04381	1.2
125.05959	5.2
125.07066	8.7
129.10188	11.2
130.06493	61.9
132.08049	30.2
134.99606	1.5
136.07510	7.1
139.03896	1.9
139.04985	5.9
142.06490	4.9
143.07243	1.1
144.08076	17.1
146.05988	69.4
153.05440	8.8
153.06573	5.9
156.07707	1.4
157.06021	1.5
158.05986	3.7
159.09135	24.5
160.07562	1.5
161.01216	1.0
169.07536	4.2
170.05951	18.5
175.06119	1.0
180.07988	1.1
187.08667	6.2
188.07028	100.0
189.07193	1.1
195.06523	4.4
197.10446	1.0
205.09663	13.4
225.10176	10.7
252.11273	1.9
253.09595	4.0
270.12320	24.3
280.10703	1.4
289.11264	0.8
298.11758	5.6
313.63150	1.0
316.09442	1.6
316.12881	31.9
326.49509	0.9
334.14685	1.0
335.11215	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	334.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01814	5.7
55.05438	7.3
56.96499	7.1
57.07000	6.1
63.38446	3.0
67.05418	17.5
69.07000	7.2
71.08546	15.0
72.04433	100.0
79.05403	5.3
81.06972	23.2
91.05412	4.7
93.06964	15.0
95.04924	27.2
95.08566	26.6
98.97500	15.7
103.81093	3.3
105.06949	5.5
107.08530	15.2
109.06453	36.5
114.09114	16.0
116.98571	20.3
119.08511	5.8
121.06480	4.0
121.42451	3.6
128.10661	5.8
133.10049	4.3
134.99629	16.6
161.01186	5.9
165.11446	5.6
165.12729	96.7
182.15405	5.8
220.16927	5.3
236.20027	20.2
260.62997	3.4
269.05292	6.3
289.21375	5.0
311.06512	7.1
314.66751	5.0
327.22617	3.5
334.27386	62.4
335.21609	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	334.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59061	3.0
54.81800	4.0
55.01813	4.4
61.35136	3.5
61.98896	3.2
62.37167	3.4
64.41284	3.7
67.05420	5.8
69.06998	4.9
71.08537	7.7
72.04427	100.0
73.13188	3.5
74.55054	3.7
79.05397	5.1
81.06982	15.9
85.06447	3.9
89.05946	6.4
91.05330	4.2
92.64290	4.7
93.06968	20.2
95.04894	28.4
95.08535	20.4
97.06487	3.7
98.98419	6.8
104.23880	3.7
105.06985	6.4
107.08524	5.1
109.06456	35.0
114.09151	6.4
117.62315	3.6
119.08501	4.5
126.85968	3.9
128.10661	6.2
132.56393	4.4
145.10249	4.1
156.32222	3.9
165.12712	85.2
191.14326	4.5
222.69115	4.1
236.20068	19.1
246.57712	4.1
256.60623	4.5
289.21463	4.9
318.06100	4.5
334.27280	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	334.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53497	5.4
57.07003	8.7
67.05444	7.7
69.06975	8.1
71.08530	7.6
72.04431	89.9
81.06938	8.4
91.05354	6.4
93.06947	13.4
95.04893	13.2
95.08511	21.5
97.06458	6.3
98.98363	37.9
103.87991	5.2
105.92050	5.2
107.08543	11.3
109.06466	34.7
165.12709	100.0
173.13118	6.7
182.15315	5.3
234.08788	5.7
236.19980	26.2
263.05527	5.7
290.90308	6.1
334.27344	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	334.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05423	0.9
55.20654	0.9
56.04972	9.2
56.96485	1.2
57.06816	0.7
57.07005	11.0
58.06530	14.9
59.94450	0.7
60.04441	5.7
60.40239	0.8
67.21640	0.8
69.74525	0.8
70.06500	1.2
71.08543	1.9
72.08051	6.5
74.05989	8.7
85.10062	1.5
86.05991	9.3
88.07549	79.3
89.01307	0.8
89.05954	1.1
100.07522	4.1
104.07036	6.0
113.24422	1.1
118.08617	1.8
132.10143	18.9
149.07643	1.0
162.11201	5.0
166.10730	6.1
173.89893	1.1
242.24689	54.7
243.25510	1.0
244.13261	1.1
254.72688	0.9
286.27295	19.8
303.78635	1.0
316.28574	2.3
334.29428	100.0
335.21979	2.2
335.29669	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61362	0.6
55.01807	0.6
55.05458	1.0
56.04961	0.8
56.96494	5.2
57.07012	10.1
65.16483	0.7
70.06138	1.2
70.06510	25.3
71.08539	2.7
72.08080	1.0
75.26839	0.6
76.62048	0.6
80.01192	0.7
84.08054	3.2
85.10101	1.4
86.09604	1.0
88.07556	25.1
92.10840	1.3
98.97518	5.6
102.09127	3.4
107.08547	0.9
110.10807	0.6
114.09115	13.0
116.98550	6.7
118.08616	2.9
121.00414	0.9
121.10131	0.8
132.10176	43.8
134.99658	8.0
149.02356	1.2
153.00734	1.2
161.01169	1.6
162.11264	1.3
176.12802	6.1
177.00682	0.8
194.13884	8.5
214.21750	1.1
228.23137	8.9
246.24265	4.4
271.12170	0.8
290.26880	3.8
293.05502	0.9
311.06647	1.6
334.29465	100.0
335.29733	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	334.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62646	0.7
53.19201	0.7
54.81727	0.7
57.07007	12.6
58.06517	3.5
68.04911	1.0
70.06503	45.2
71.08533	1.9
72.08058	4.9
72.98045	0.7
74.06795	0.7
82.07272	0.8
84.08050	5.0
85.10073	1.3
86.09615	7.5
88.07541	13.0
89.05971	1.1
92.52351	0.8
102.09116	6.2
116.98530	1.1
125.71124	0.8
132.10153	13.3
146.11728	13.8
184.20554	5.0
228.23161	17.6
229.73096	0.8
231.30634	0.8
272.25766	77.3
273.26068	1.8
334.29425	100.0
335.29779	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	334.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	8.6
56.04972	3.8
56.96495	9.4
57.07025	2.4
60.04454	100.0
67.05424	11.7
68.04938	1.7
69.06989	7.9
70.75445	1.6
72.04427	3.1
79.05405	2.7
81.06978	10.9
82.06459	1.7
83.08531	7.7
84.04449	1.7
84.95943	2.4
91.05383	2.3
93.06992	2.0
95.08531	11.7
98.97530	12.3
101.45366	1.7
105.06992	1.8
109.10099	4.2
116.98602	16.6
134.99615	18.3
149.12863	1.7
153.00717	2.3
161.01187	2.6
177.00731	3.5
191.02103	1.8
237.02603	1.9
251.04253	3.3
269.05356	7.5
274.93784	1.8
278.86115	1.8
280.26392	3.9
293.05502	2.1
298.27295	9.0
299.62012	1.6
311.06497	13.1
316.28403	19.7
334.23355	2.4
334.29559	26.0
337.29224	1.9
358.55905	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95741	3.1
55.05452	58.0
57.07022	4.3
67.05415	7.7
69.06985	19.3
70.06514	6.6
72.08064	100.0
79.05387	5.1
81.06975	14.8
83.08560	4.8
95.08522	17.5
98.05987	99.1
98.06615	5.9
117.62421	3.6
126.09151	7.5
140.10716	8.0
334.30951	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	334.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01819	1.4
55.05450	57.9
56.01053	0.6
56.01315	1.7
56.27014	0.7
57.07016	0.8
57.22556	0.7
60.90361	0.7
67.05424	12.1
69.03341	0.9
69.06984	16.9
70.06139	1.0
70.06509	17.6
70.06855	1.5
72.08068	95.6
79.05387	1.2
81.06974	10.2
82.06541	0.7
83.08540	5.8
91.05373	0.8
93.07008	2.9
93.08096	0.9
95.08531	8.9
97.10111	0.9
98.05982	100.0
107.08545	1.3
107.34824	0.7
109.10105	5.2
113.08331	3.5
126.09117	12.0
140.10649	12.8
154.12267	5.0
168.13794	4.8
182.15398	3.3
189.29285	0.9
196.16916	1.8
210.18573	1.1
224.20232	0.9
334.30966	88.4
335.31244	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83182	1.1
55.05442	10.9
56.04967	9.6
56.96494	3.0
60.04448	6.0
61.01063	1.4
65.03861	1.6
67.05412	6.6
68.99706	1.9
69.03345	3.2
69.06975	10.4
69.82717	1.2
70.06506	83.5
71.04900	2.2
71.06840	2.2
72.08067	39.5
74.05981	3.6
79.05401	8.3
81.06975	2.5
83.04900	1.7
83.05972	1.8
84.04428	20.9
84.07587	2.9
84.08059	38.6
85.02822	6.2
86.09624	51.4
87.09954	2.0
88.03933	2.8
91.05401	6.2
93.06989	2.4
95.04868	3.6
95.06010	1.5
95.08554	8.2
97.02810	2.3
98.06007	1.7
98.97522	2.1
99.04417	1.6
100.02142	2.7
100.75584	1.6
102.05470	2.3
103.05382	5.7
107.04876	3.7
109.10094	5.6
110.07106	35.3
111.04446	2.4
112.08671	2.9
115.08643	2.8
116.07025	24.7
116.98540	3.7
118.06586	1.3
119.01885	2.8
120.08053	27.6
121.06460	2.7
122.07144	1.9
123.04387	9.2
129.10196	15.6
131.04918	7.5
134.99565	2.2
136.07588	2.7
137.05957	6.7
137.09613	1.9
139.02803	3.1
139.03874	78.8
145.06441	2.1
146.05962	1.8
149.05962	3.1
151.03893	2.3
153.05426	2.1
155.10622	2.2
156.07721	1.8
163.03885	3.2
163.07443	2.1
167.06996	100.0
175.11639	1.6
177.05457	8.2
191.06975	3.1
203.03983	2.3
268.13889	2.3
315.92715	1.6
326.77637	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81760	1.4
55.01804	2.3
55.05426	1.3
56.04967	1.7
65.03844	4.8
67.05423	15.6
69.06980	1.6
70.06509	19.1
72.08060	10.1
74.02876	1.1
79.05392	2.0
82.06467	1.6
83.10748	1.1
84.04405	4.9
84.08055	7.6
86.09631	9.0
88.40781	1.3
91.05408	1.5
93.03293	1.2
95.04884	7.7
95.05997	1.1
95.08527	2.5
96.04399	2.2
97.06458	1.7
105.06942	1.2
109.10080	2.2
110.05988	14.9
110.07102	8.0
115.08658	1.4
120.04383	1.7
120.08037	2.6
121.02816	1.5
122.05975	7.8
123.06768	1.5
124.07554	6.3
129.10231	1.6
130.06479	7.3
131.08620	1.7
132.52380	1.2
133.05202	6.1
134.05939	2.3
136.03882	5.2
136.07526	5.9
137.02274	1.9
138.05469	13.5
144.08078	1.2
145.10114	1.3
146.05962	7.7
148.07486	1.4
150.05466	6.5
152.07033	7.7
153.06537	4.2
154.04959	5.7
156.07982	1.5
158.06013	9.5
158.09636	2.4
159.09152	1.5
160.07542	1.7
166.04947	16.1
167.07249	2.2
170.06053	1.6
170.09579	7.4
172.07512	1.8
172.11272	1.3
173.07011	2.0
173.63811	1.3
174.05447	2.0
174.09079	2.1
176.06827	1.1
178.05026	1.5
180.07962	1.2
184.07500	8.3
185.08344	2.2
186.09099	13.5
188.07008	1.9
188.10704	2.5
196.07559	2.1
198.09132	16.9
199.08675	4.9
200.10762	1.9
201.06458	1.6
201.10239	6.3
202.08679	6.4
203.08113	1.8
210.09119	4.9
211.08626	2.5
212.07127	9.1
213.08127	1.7
213.10170	5.5
214.08600	8.1
214.10788	1.4
215.07976	9.2
215.11714	2.1
216.06757	1.6
216.10133	6.2
224.07123	1.8
225.06410	2.1
225.10225	4.7
226.05014	1.9
226.08611	22.0
227.07835	11.6
227.11444	1.6
228.10249	2.3
229.09634	13.1
230.06625	8.4
230.08138	10.7
230.10435	2.6
231.07544	8.7
239.08086	6.3
240.06447	4.3
240.08888	12.1
241.09692	7.9
242.08138	2.1
242.10439	5.1
243.07545	2.3
243.11157	8.3
244.09549	9.1
245.08620	1.1
245.10327	7.0
252.51927	1.6
253.09750	4.7
254.08131	14.3
255.08762	1.8
257.09106	18.4
258.07489	2.5
258.09933	6.7
259.10690	8.0
261.08667	2.7
261.12161	1.5
268.08463	2.5
269.09210	2.5
271.10742	10.6
272.09061	12.3
275.10123	8.9
281.09238	1.3
285.60629	1.8
286.09460	10.3
287.10175	5.0
289.11725	38.7
299.10156	14.8
300.08676	4.9
317.11240	100.0
335.12283	71.8
338.76480	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	1.1
57.03396	1.3
62.11360	0.9
62.79657	1.2
67.05426	6.2
67.71027	1.2
69.41068	1.1
71.05482	1.4
79.05373	2.0
81.06966	6.1
91.05365	1.2
92.63490	1.1
93.06982	2.7
95.08535	2.9
97.88716	1.2
103.37528	1.2
105.06934	1.3
107.08501	1.7
206.57401	1.2
335.21878	100.0
335.25433	4.2
336.22299	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2189
Annotation	PGH2
Peak:m/z	Relative Intensity
56.96507	1.9
71.08561	1.8
71.10040	1.8
72.06618	1.9
81.07005	2.0
86.32288	1.5
89.06699	1.9
105.06917	2.2
105.83590	1.9
116.98582	1.9
134.99638	3.1
189.00681	2.2
268.10760	2.1
335.21848	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67347	1.4
55.05444	8.9
57.03368	9.0
67.05431	29.5
67.58398	1.4
69.06999	4.3
79.05402	18.0
81.06976	25.9
88.11238	2.0
91.05408	8.3
93.06973	15.1
95.08527	20.8
105.06982	3.5
107.08559	4.2
109.10124	7.9
119.08554	4.0
121.10090	2.8
123.55673	1.9
135.11707	3.7
139.20499	1.7
238.47960	2.1
294.25204	2.2
311.23932	1.9
335.21951	100.0
335.25858	22.1
336.22455	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	335.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	14.2
56.04956	1.8
57.03374	20.1
57.07011	3.5
58.06555	1.7
59.43137	1.9
61.02227	1.8
61.10840	1.6
62.74582	1.7
66.38719	1.8
67.05428	43.3
69.06992	14.0
71.08538	2.8
79.05408	26.8
81.06979	34.6
82.49024	2.0
88.07550	22.2
88.74928	1.7
89.57009	1.8
91.05401	18.1
93.06980	23.3
95.04898	4.2
95.08525	23.7
99.66150	1.9
105.06981	21.4
107.08531	7.5
109.10130	4.6
114.69424	1.7
119.08522	8.8
121.10094	7.7
123.11649	3.6
128.04236	1.8
129.06937	2.4
131.08531	9.0
132.10211	2.5
133.10146	1.9
135.11623	2.4
137.05971	8.6
143.08534	4.5
145.10159	7.5
155.08656	3.0
157.10100	4.0
159.11696	3.3
171.11624	10.3
173.13240	3.7
183.11493	1.7
197.13326	1.9
207.94406	2.1
239.18015	2.3
242.24733	10.4
243.25116	10.2
257.19022	11.2
317.20993	3.0
334.29385	14.8
335.21854	100.0
335.25705	28.1
335.29828	16.8
336.22351	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	335.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31367	1.8
55.05441	9.6
56.96486	3.0
57.03368	2.9
67.05401	8.6
69.03366	2.1
69.06982	8.0
69.36340	1.8
71.04883	2.5
76.36492	1.8
78.94614	1.9
79.05403	10.2
81.06969	12.3
83.04887	2.6
83.08540	3.1
84.73537	2.0
91.05402	13.3
93.06961	16.8
95.04896	4.3
95.08517	15.2
96.09943	2.0
96.95757	2.1
97.06475	15.4
98.97512	3.0
105.06266	3.5
105.06976	100.0
107.08510	14.0
109.06442	3.2
109.10087	11.1
111.08016	4.7
113.05943	2.3
117.06946	4.3
119.08559	20.2
121.06440	3.1
121.10082	4.8
128.06175	2.2
129.06969	4.2
131.08539	48.2
133.10086	4.8
134.99585	2.7
135.08037	4.9
137.09566	3.2
142.07732	12.3
143.08537	23.3
144.09338	2.7
145.10100	36.9
147.11520	2.5
155.08499	15.1
156.09396	3.6
157.10095	43.5
159.11664	45.9
167.08395	2.2
169.10056	11.6
171.11623	29.2
171.49893	2.2
173.13199	13.4
180.09265	2.8
181.10095	3.8
182.10840	2.0
183.11615	9.9
185.13135	4.2
187.14664	3.1
193.10094	2.1
195.11636	10.8
197.13206	14.0
199.14787	10.4
201.16386	3.0
207.11647	3.0
209.13150	3.0
211.14789	8.1
213.16228	2.8
227.14220	2.6
237.16353	10.2
255.17311	12.7
273.18375	4.8
281.18951	8.2
299.20047	9.9
317.21033	8.7
335.22180	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	335.2215
Annotation	(-)-Leucothol C
Peak:m/z	Relative Intensity
51.06133	5.9
53.00243	6.8
53.85549	5.4
55.05445	32.6
56.96502	11.3
57.06982	10.1
57.36111	5.2
65.66963	6.2
67.05423	40.9
69.03333	9.8
69.06986	73.2
69.69409	7.0
70.06505	9.4
71.04893	8.3
72.08056	5.8
78.24117	6.4
79.05400	30.9
81.06969	45.8
83.04894	9.2
83.08534	15.9
85.06485	7.0
86.09623	8.9
91.05392	40.6
91.82325	6.0
92.10882	13.0
93.06985	46.2
95.04883	14.5
95.08536	41.3
97.06438	11.4
100.11180	7.6
105.06969	100.0
107.08536	47.7
109.06445	26.2
109.10106	28.2
116.98502	9.0
117.07013	9.7
119.08540	61.1
121.06437	68.8
121.10092	37.1
123.08021	13.0
125.09596	8.5
128.06174	9.1
129.06932	27.7
131.08519	66.3
133.10098	39.5
134.99634	8.7
135.08052	9.1
135.11676	8.3
137.09537	10.2
142.07729	15.4
143.08490	53.4
145.10081	77.4
147.08025	37.5
147.11697	13.1
149.09584	12.8
153.07034	8.2
155.08514	13.9
157.10126	76.6
159.11667	45.0
161.09660	11.8
168.09248	8.4
169.10110	29.5
170.10762	7.4
171.11647	40.3
173.09547	9.2
173.13181	10.2
175.11115	29.1
181.10074	9.3
183.11653	36.2
183.97263	8.0
185.13179	14.6
187.11026	7.8
189.12621	11.4
195.11565	10.5
197.13281	32.1
199.11230	6.9
201.12828	7.0
203.10590	7.2
210.96289	7.6
211.14832	11.7
237.16376	10.8
255.17236	8.6
257.18936	10.1
271.20456	12.6
281.18918	12.8
299.19992	36.3
317.20956	77.6
335.21936	29.8
356.61893	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	335.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92039	1.3
53.03888	1.2
55.05440	9.3
56.96489	2.1
57.03363	8.2
64.31485	1.5
67.05425	30.9
69.06965	8.3
71.04893	1.5
72.36134	1.6
79.05415	19.6
81.06976	35.2
83.08534	1.8
91.05396	7.2
93.06966	26.1
95.04926	2.9
95.08540	25.2
105.06947	9.3
107.08516	16.1
109.10088	9.1
116.98563	1.9
119.08499	6.7
121.10085	8.9
123.11667	2.5
131.08522	2.9
132.91562	1.7
133.10072	3.5
133.55858	1.4
135.11688	3.5
140.48367	1.5
146.70622	1.8
147.11636	2.2
149.02274	1.9
149.13181	2.8
161.13240	1.9
261.21954	2.8
335.21793	100.0
335.25702	31.3
336.22260	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	335.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05446	29.9
56.04957	2.8
57.03377	34.5
57.07011	9.8
58.06525	5.7
62.06922	2.4
67.05078	4.0
67.05424	91.7
67.11490	2.7
69.06993	24.3
71.08530	2.6
74.06008	5.1
79.05398	50.8
81.06970	67.7
84.47731	2.6
88.07548	41.1
91.05399	34.8
93.06971	49.9
95.04904	6.4
95.08524	57.9
97.06419	4.3
98.97535	2.5
105.06954	33.1
107.08529	26.9
109.10098	16.7
111.94202	2.8
116.98588	2.5
117.07008	5.4
119.08518	14.5
121.10114	17.2
128.06160	3.2
129.06970	6.6
130.00410	3.1
131.08530	14.5
132.10162	3.7
133.10114	11.5
135.08047	2.8
135.11699	4.6
137.05949	12.5
143.08546	16.2
145.10092	11.1
147.11708	6.5
155.08556	5.7
157.10092	17.4
159.11653	6.9
171.11655	20.5
173.13254	11.3
187.14789	2.8
197.13246	5.1
197.52443	2.8
239.17896	4.1
242.24738	21.3
243.25026	13.7
257.18927	14.9
285.18427	5.2
317.20724	4.9
322.73553	3.0
334.23416	4.3
334.29489	25.8
335.21832	100.0
335.25711	59.7
335.29791	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	335.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05448	1.4
57.03365	1.3
58.70142	0.5
67.05418	7.7
69.06985	0.9
78.73351	0.6
79.05399	4.0
81.06969	7.9
91.05386	1.6
93.06960	3.6
95.08533	4.6
105.06955	0.7
107.08546	0.9
109.10081	1.1
120.01868	0.6
121.10121	0.8
240.06561	0.7
335.21869	100.0
335.25534	6.9
336.22205	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	336.1656
Annotation	Isopentenyl adenosine
Peak:m/z	Relative Intensity
53.68282	0.2
55.01806	1.2
55.05444	0.2
57.03359	1.6
61.02864	0.2
62.51527	0.3
62.95494	0.2
65.62341	0.3
67.05419	1.8
67.48951	0.3
69.03348	0.6
69.06981	8.7
70.06492	0.5
71.09589	0.2
73.02809	0.5
75.42041	0.2
79.05399	0.4
81.06960	1.1
81.23817	0.3
83.04888	1.4
85.02817	1.1
86.09605	0.3
91.05409	0.6
93.06947	1.3
95.08521	0.4
105.06973	0.6
107.04930	0.5
107.08517	0.5
109.10123	1.2
111.04391	3.2
111.08018	0.6
117.06996	0.3
119.03488	0.4
119.08514	0.6
120.08061	0.5
121.10085	0.4
135.11635	1.0
136.06155	100.0
137.04532	0.7
137.09669	0.4
145.10106	1.1
146.57597	0.3
148.06149	33.9
153.12750	1.7
158.18054	0.3
162.12346	0.3
163.11143	2.2
173.09566	0.3
178.40935	0.3
181.12167	2.1
191.10661	1.1
204.12404	35.8
205.12781	0.3
227.12740	1.4
283.15286	1.6
301.16473	1.5
336.16574	15.5
336.25229	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1915
Annotation	Gly Leu Phe
Peak:m/z	Relative Intensity
50.66487	0.3
62.00526	0.4
70.61962	0.3
72.08063	0.4
86.09623	100.0
87.09933	0.8
87.51404	0.3
103.05415	1.7
107.04895	0.6
107.08536	0.5
120.08053	55.5
121.08432	0.5
131.04825	0.7
133.10071	0.4
143.11769	42.9
145.10152	0.6
149.06000	0.5
156.71341	0.4
166.08591	14.2
171.02786	0.4
171.11259	8.5
177.10187	1.5
185.95871	0.4
261.68823	0.3
268.04138	0.4
280.83746	0.3
336.25287	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	336.1917
Annotation	Ile Phe Gly
Peak:m/z	Relative Intensity
52.54452	0.3
55.05444	2.4
56.04978	2.4
56.96493	0.5
60.04457	1.6
67.05424	0.5
69.03351	0.8
69.06991	7.8
70.02888	0.4
70.06509	19.3
72.08070	7.7
74.05959	1.3
79.50766	0.3
81.06934	0.4
83.06026	0.5
84.04418	5.5
84.08065	10.2
85.02834	0.8
86.09628	73.5
87.09967	0.8
88.03925	0.8
91.05406	2.6
93.04983	0.4
93.06969	1.7
95.06020	0.4
95.08580	0.5
97.02841	1.6
100.02139	0.6
102.05444	0.4
103.05397	4.4
109.02806	0.4
110.07115	5.3
112.08701	0.8
115.08628	0.8
116.07043	2.1
120.02067	0.4
120.08057	100.0
120.35975	0.4
121.08385	1.7
129.10199	4.0
130.08656	0.6
131.04918	1.7
132.08051	0.6
133.25499	0.4
136.07552	0.7
139.03903	0.5
139.08662	0.4
146.06053	0.5
161.06100	0.4
170.05980	0.8
189.12302	1.4
197.10223	0.4
197.12939	0.5
199.07570	0.4
203.03992	0.6
223.10745	7.1
233.16454	13.7
261.15906	5.1
270.45056	0.4
296.07211	0.5
336.19247	0.5
337.11298	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01806	20.5
55.05437	12.8
55.90742	2.5
56.96497	4.9
57.03374	3.2
57.88865	2.7
60.67365	2.8
67.05429	31.2
69.06982	6.5
70.13936	2.5
71.04915	2.7
74.33299	2.6
79.05407	17.5
81.06985	21.6
83.04893	41.3
83.08581	2.6
85.02831	3.8
86.09631	5.2
91.05410	6.2
91.48143	2.5
93.06969	35.3
95.04903	4.8
95.08514	6.4
96.98849	2.7
97.06441	11.4
98.97522	4.4
99.04399	4.7
105.07002	4.3
107.04867	5.0
107.08525	26.0
109.06548	2.7
109.10095	13.3
111.04385	100.0
111.08019	27.4
116.98546	5.8
117.06957	4.8
119.08510	18.5
121.10054	20.4
125.05933	4.1
129.06956	2.8
131.08546	11.4
134.82680	2.6
135.08020	3.5
135.11665	29.2
145.10080	19.5
149.09583	5.8
153.12711	36.0
163.11128	47.2
167.34618	3.3
169.07533	5.0
173.09579	14.4
177.00613	3.1
179.86153	2.7
181.12204	53.6
187.08653	4.7
191.10625	36.6
209.11699	4.6
227.12708	37.8
257.34665	2.8
283.15350	69.0
301.16367	43.7
318.96027	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	336.2531
Annotation	Neovasipyridone C
Peak:m/z	Relative Intensity
53.22335	0.2
55.01826	0.2
55.05440	0.9
55.31856	0.2
55.88636	0.2
56.96494	0.5
57.07015	0.2
58.06529	0.4
67.05428	1.6
69.03349	0.3
69.06985	2.4
70.06519	1.7
71.04909	0.4
72.04435	0.9
72.08070	1.9
75.05508	0.2
79.05392	1.3
81.06971	2.8
82.06499	0.4
83.08535	1.2
84.04422	0.4
85.06462	0.3
86.05984	1.0
86.09623	11.2
91.05398	2.5
92.10274	0.2
93.06971	3.0
95.04916	0.4
95.08563	2.1
97.06481	0.4
99.08006	0.4
100.07545	3.5
102.91506	0.2
103.05424	2.2
105.06969	3.4
107.08535	2.5
108.08089	0.5
109.06476	0.9
109.10104	3.3
110.07116	0.3
113.09581	0.3
114.09107	0.3
116.98551	0.3
117.06963	2.4
119.08536	2.2
120.08057	100.0
121.06466	0.4
121.08397	3.0
121.10067	1.8
122.09646	0.4
123.08027	1.5
123.11646	1.8
124.11178	1.2
125.09546	0.4
129.06934	0.9
129.10182	0.4
131.08542	2.9
132.10168	2.2
133.10098	3.2
135.08017	1.0
135.11696	0.3
137.05916	1.2
137.09534	0.3
143.08519	2.4
143.11749	1.3
145.10120	4.1
147.11722	1.7
149.09592	0.4
150.12750	1.0
151.11179	1.5
155.08499	0.5
157.10094	2.5
159.11623	1.8
161.13260	0.4
163.11090	0.3
169.10101	0.5
171.11620	1.2
173.13261	1.1
173.95793	0.3
175.11270	0.3
175.14732	0.3
177.10190	20.4
178.10477	0.5
183.11642	1.3
185.13228	3.0
187.11205	0.3
187.14862	0.3
197.13113	0.4
199.14767	0.6
201.16356	0.2
203.14307	1.8
205.09740	4.4
209.13063	0.3
213.16609	0.3
225.16350	0.9
227.17929	0.5
229.15833	0.4
237.16298	0.3
241.19565	0.3
255.21039	0.5
257.18878	1.5
265.19424	0.3
273.21890	0.3
283.20410	2.0
300.23181	0.9
301.21552	0.4
318.24329	1.7
336.25275	46.9
337.25586	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	336.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01810	4.1
55.05442	21.8
67.05426	20.6
67.70929	4.8
67.95231	4.7
69.06985	12.2
71.08542	30.5
72.04439	30.0
73.58543	4.6
79.05406	7.1
81.06966	29.8
83.47991	5.2
89.05968	7.8
93.06969	28.6
95.08524	11.5
97.06455	7.3
97.10042	5.6
97.51126	4.9
99.08034	6.8
104.61781	4.8
105.07003	5.3
107.08546	7.4
109.06480	11.7
109.10107	5.6
121.10184	5.5
133.10037	5.2
146.81400	4.6
148.11902	5.4
156.13556	4.7
163.90555	4.9
165.12756	21.2
175.27998	4.9
182.81709	4.8
223.83194	4.9
238.21587	8.9
254.33345	5.2
291.23172	25.6
336.28928	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05436	7.5
57.06981	2.9
61.84309	2.9
62.55468	3.1
66.78426	2.8
67.05424	15.4
69.06970	15.8
71.08544	28.4
72.04424	70.6
79.05391	4.7
79.16902	3.2
81.06953	18.5
90.30196	2.8
91.05405	5.0
93.06949	19.0
94.78115	2.9
95.08524	26.3
99.08073	10.0
107.08513	5.1
109.06442	6.3
109.10137	6.1
114.09106	5.6
119.08466	4.8
128.10654	4.4
161.35591	3.6
165.12720	19.4
166.96573	3.8
188.21146	3.7
238.21606	17.7
291.23102	14.9
291.82974	3.5
304.35739	3.1
336.28830	100.0
337.29105	4.0
352.94193	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	336.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49850	0.6
55.05438	1.4
57.07010	7.0
61.83827	0.5
64.27459	0.6
68.02417	3.3
68.37678	0.6
69.69851	0.5
70.03990	7.6
70.46253	0.6
72.08080	5.9
89.05952	1.0
98.05968	4.6
99.09144	8.6
112.06156	4.0
124.08670	5.3
126.09167	0.5
126.10246	4.9
144.67628	0.7
151.09601	0.9
155.15387	11.7
168.12405	12.7
180.14923	5.1
222.17108	0.7
224.18658	25.9
230.52928	0.7
280.24899	36.8
281.25296	1.3
336.31119	100.0
337.31357	3.5
355.97089	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	23.7
57.07009	8.1
61.60002	0.9
65.10044	0.7
68.02419	1.7
69.06973	4.1
70.03997	7.1
70.06483	4.8
71.08539	0.9
72.08070	42.7
76.27633	0.8
81.23114	0.8
83.08508	3.5
89.05924	4.5
98.05984	47.7
99.09161	5.9
106.89164	0.7
107.80840	0.7
112.06171	4.1
117.69949	0.8
124.08624	3.2
126.09084	3.2
126.10201	1.6
140.10619	5.0
151.09584	3.5
154.12236	1.8
155.15399	10.3
162.97244	0.8
168.12415	8.4
168.13695	1.4
174.86113	0.8
180.14934	2.0
190.80644	0.9
224.18645	19.6
234.73412	0.9
280.22040	0.9
280.24902	25.9
287.83606	0.9
336.31583	100.0
337.31839	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	336.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01794	3.8
55.05453	81.3
57.07015	30.6
67.05426	63.3
69.06989	100.0
71.08545	13.0
72.08047	4.0
79.05415	16.2
81.06975	87.4
83.08532	58.4
84.10885	2.9
86.05978	5.3
89.05956	13.8
91.05402	11.8
93.06964	20.4
95.08528	68.4
97.06462	15.7
97.10101	35.9
100.07552	16.0
105.06982	13.8
107.08528	12.1
109.10120	33.1
111.11659	3.6
114.09130	5.2
119.08525	15.0
121.10085	17.6
123.11643	16.9
125.09637	3.8
133.10109	5.4
135.11650	11.3
137.13216	4.4
142.12231	3.4
151.09648	5.4
166.15698	3.3
185.58446	3.0
189.55994	3.4
301.29022	5.6
319.29895	46.1
336.32513	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00244	2.7
53.03884	2.5
54.64766	1.8
55.01822	3.1
55.05454	96.2
57.07013	37.2
61.72400	2.2
65.03879	2.3
67.05432	87.1
69.06991	100.0
70.06509	3.3
71.04898	2.8
71.08552	12.0
72.04439	2.7
72.08078	3.5
73.84601	1.8
79.05418	27.9
81.06978	98.9
82.39802	2.5
83.04872	5.0
83.08543	54.4
84.08080	3.8
85.10109	4.0
86.05992	9.2
89.05920	2.3
91.05387	23.0
93.06982	32.2
95.04903	8.5
95.08533	94.0
97.06470	11.5
97.10093	33.6
100.07552	12.1
103.26390	2.1
105.06969	14.7
107.08527	18.7
109.10107	42.0
111.07986	7.5
111.11674	4.7
114.09100	8.3
119.08568	16.9
121.10099	18.1
123.11647	19.8
125.09628	4.1
133.10080	16.0
135.11638	11.7
137.13222	4.5
147.11684	9.8
151.11214	2.4
161.13237	4.7
175.14825	3.6
177.10721	2.1
237.91518	2.4
240.35716	2.7
268.38986	2.2
274.77835	2.0
301.28790	16.9
319.29861	31.3
336.26007	8.6
336.32443	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	336.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	2.7
55.05453	80.6
57.07017	32.5
62.05429	1.8
67.05080	3.1
67.05431	81.4
69.06990	99.6
70.06489	4.3
71.08543	17.2
79.05412	28.0
79.69381	2.3
81.06976	100.0
83.04897	4.5
83.08544	57.6
84.08077	2.4
85.10097	3.1
85.35888	1.9
86.05974	9.2
89.05943	2.7
91.05412	19.0
93.06966	29.7
95.08533	84.4
95.96624	2.3
97.06451	11.0
97.10084	30.2
100.07545	9.9
105.06969	13.7
107.08548	16.3
109.10106	39.2
109.18342	2.2
111.08016	4.1
111.11669	8.7
114.09116	8.8
119.08511	17.8
121.10083	15.6
123.10828	2.3
123.11650	16.7
128.10645	3.1
133.10097	12.7
135.11635	10.8
147.11636	10.4
149.13214	2.7
151.09669	2.5
151.11218	2.4
161.13181	5.3
163.14738	2.6
165.16243	2.1
175.14714	2.7
205.47141	2.1
221.45976	2.1
236.59808	2.3
237.22260	2.2
272.87460	2.1
277.29031	2.7
281.84900	2.2
301.28909	16.2
319.29932	34.4
336.32614	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	336.326
Annotation	N-Isobutyl-(2E,4E)-octadecadienamide
Peak:m/z	Relative Intensity
53.00245	2.2
53.03882	0.8
55.01812	1.2
55.05190	1.4
55.05452	46.7
57.07013	100.0
62.12722	0.9
67.05427	18.7
69.06988	47.2
71.08541	4.1
72.04469	1.4
72.08058	4.5
72.50559	1.0
74.09228	2.1
74.09632	58.9
79.05400	5.7
81.06973	24.3
83.04892	1.4
83.08542	18.1
85.10120	1.6
85.88123	0.9
86.05978	7.6
86.08660	0.9
89.05952	1.8
91.05411	2.4
92.10960	1.0
93.07006	7.0
95.08526	17.1
95.87473	1.2
97.06443	2.0
97.10110	9.0
100.07537	5.0
105.06984	4.6
107.08543	2.1
109.10082	9.5
111.08023	1.6
121.10068	0.9
123.11634	2.0
128.10684	1.1
128.18826	0.9
133.10118	1.4
135.11630	1.0
137.09579	1.1
142.12251	7.4
147.11633	1.7
156.13803	7.6
161.13228	1.4
170.15331	5.4
184.16948	3.8
198.18469	1.4
212.20016	2.1
226.21593	1.9
254.24873	1.2
263.23535	1.3
336.28577	2.1
336.32547	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.3256
Annotation	N-Isobutyl-(2E,4E)-octadecadienamide
Peak:m/z	Relative Intensity
55.05444	47.5
56.05789	3.2
57.07007	100.0
67.05431	28.6
69.06987	55.0
70.82658	3.1
72.08034	4.6
74.09625	51.4
79.05382	3.7
81.06962	23.2
83.08522	15.5
84.35500	2.9
86.05993	5.4
89.05952	20.4
93.06950	5.3
95.08532	19.4
97.10085	8.2
98.05970	4.9
99.06396	4.0
107.08516	4.1
109.10092	13.3
119.69640	4.9
122.69202	3.8
142.12305	4.3
147.11658	3.9
151.09644	7.4
184.16960	4.7
234.42990	3.8
336.32397	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	337.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61499	0.6
55.05441	1.6
55.67639	0.7
56.04970	1.0
56.96476	0.7
60.04448	1.8
67.05412	1.1
69.03350	1.4
69.06990	6.1
70.06513	11.7
71.01262	1.7
71.04871	0.8
72.08060	4.5
81.06971	1.7
82.02839	1.7
82.20228	0.6
83.08552	0.9
84.04436	9.0
84.08064	15.0
85.02813	1.4
86.06006	1.1
86.09624	30.2
87.09953	1.5
88.03902	1.1
89.02328	1.1
91.05405	2.9
92.80660	0.8
93.06920	0.9
94.06528	1.5
95.04858	1.1
95.08527	1.2
97.02853	0.8
97.19970	0.8
98.02340	1.0
98.97527	1.5
102.05466	1.2
103.05418	0.7
104.04894	1.0
107.08591	0.9
110.02406	1.0
110.07111	3.0
115.05411	1.1
116.98586	1.3
120.08068	6.1
129.10201	7.8
130.06493	100.0
131.06824	1.0
132.04422	39.3
132.08057	3.3
134.99611	1.2
136.07481	0.9
141.74841	0.9
143.11761	2.8
146.05930	1.7
148.07550	3.7
157.07578	28.4
158.05981	82.6
159.06351	1.2
159.09155	4.4
175.08641	50.0
176.07050	16.1
177.00755	1.1
185.07071	5.4
186.12302	0.8
203.08025	1.1
209.07147	1.7
211.08751	1.0
213.87103	0.8
221.09178	5.6
231.07677	1.0
237.06587	7.3
255.07619	2.9
260.19678	0.9
273.08582	6.4
275.10416	1.7
283.06943	0.8
291.09717	13.6
301.08096	4.6
319.09262	6.3
319.12540	1.2
319.22479	0.9
337.10272	4.1
349.80212	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36821	0.2
54.81675	0.3
55.05438	0.4
56.04769	0.2
56.04978	3.7
59.06055	0.3
60.04453	0.4
60.05362	0.2
60.05582	3.5
66.36552	0.2
69.00841	2.9
69.06946	0.3
70.06510	9.4
71.27652	0.2
72.08069	3.3
73.08397	0.4
74.05977	1.4
83.06017	1.1
84.04420	1.1
84.08074	3.1
85.07598	0.5
86.03476	23.9
86.09622	2.6
88.03875	0.4
91.05433	0.2
91.52522	0.2
97.07597	1.8
98.08379	0.3
110.07108	1.1
113.07051	0.3
115.08631	1.2
117.05730	0.4
120.08048	1.8
121.08396	0.5
123.04420	0.3
127.92867	0.2
129.10210	2.5
130.06477	0.4
130.10535	0.3
131.06844	0.2
132.08060	1.5
139.03850	0.4
141.06575	1.6
146.81723	0.2
148.03882	0.5
150.05486	5.3
158.06004	0.2
169.13400	0.3
176.07004	3.0
179.08124	3.4
181.26051	0.2
203.08136	3.8
205.09662	0.3
217.09714	1.6
232.43697	0.3
234.12329	100.0
235.12761	2.3
252.13455	3.1
260.10281	1.8
278.11215	0.3
302.12433	0.4
319.14981	1.1
337.08911	0.4
338.57910	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2345
Annotation	Prostaglandin B2-d4
Peak:m/z	Relative Intensity
54.12164	1.2
55.05440	10.8
57.03374	3.9
57.07008	1.8
59.69846	1.6
65.18345	1.8
67.05420	23.7
69.06982	12.6
79.05427	2.7
81.06959	19.2
83.08546	6.7
91.05405	7.1
93.06955	2.1
95.08529	15.5
107.08553	2.4
109.10091	2.1
121.10091	1.8
165.62869	1.6
337.23456	100.0
337.27292	16.5
338.23953	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	34.8
56.96505	17.5
57.06995	8.7
60.16094	7.2
61.91582	6.1
64.36454	6.5
67.05422	32.2
67.45193	7.8
69.03345	10.0
69.06985	81.6
73.02824	7.0
79.05396	31.8
81.06973	43.1
83.08543	38.2
84.04426	10.8
91.05391	75.5
93.06978	52.0
95.04904	12.3
95.08519	63.5
97.02839	10.1
97.10085	11.2
98.97530	11.1
105.06969	74.1
107.04901	8.8
107.08520	76.2
109.10122	63.8
111.08003	7.9
116.98547	11.3
117.06983	48.1
119.08552	64.9
121.10096	43.9
123.11655	17.4
125.09558	16.3
128.06323	7.1
129.06981	33.6
131.08539	59.3
133.10098	72.2
134.99625	30.6
137.09605	9.9
141.06931	13.9
142.07764	9.8
143.08553	43.8
144.75267	7.7
145.10103	95.4
147.11690	30.4
149.09563	10.7
155.08499	28.9
157.10133	43.4
159.11662	41.0
161.13231	8.4
164.14999	8.6
169.10138	31.6
171.11697	38.7
173.13216	8.6
175.11118	11.1
181.10056	9.7
183.11652	18.5
185.13258	18.1
187.14754	10.8
189.12698	8.2
195.11829	9.2
197.13177	31.2
199.14867	31.4
203.14305	9.6
211.14603	11.1
217.15630	8.8
223.14880	8.8
241.19334	12.7
255.21083	16.2
265.19473	11.0
283.20499	100.0
301.21594	99.3
319.22549	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2731
Annotation	Subamolide C
Peak:m/z	Relative Intensity
51.04250	1.9
53.00256	2.2
53.03861	2.7
55.05447	49.8
57.03370	34.3
57.07004	3.7
67.05420	100.0
69.06985	42.8
75.83633	2.4
79.05393	29.0
79.27753	2.5
81.06970	89.9
83.08529	16.2
91.05385	11.5
93.06981	20.3
95.08524	64.8
97.06490	2.9
97.10117	4.1
99.08031	3.3
105.06955	4.5
107.08524	12.2
109.02758	2.4
109.10113	24.8
116.76263	2.5
119.08526	8.8
121.10112	5.8
123.11679	5.5
133.10088	3.3
135.11624	4.6
164.44371	2.3
168.49098	2.5
337.27264	85.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34576	1.2
53.00230	1.3
53.03871	2.3
53.22727	1.1
53.26132	1.3
55.01800	1.5
55.05193	1.6
55.05448	44.6
56.69909	1.3
57.03131	1.7
57.03370	27.9
57.06998	7.8
65.03860	1.8
65.65246	1.2
67.05424	97.6
69.06981	48.1
71.08513	1.4
72.09850	1.5
77.01476	1.5
79.05405	26.0
81.06971	100.0
83.04881	2.5
83.08533	20.6
85.06464	1.7
91.05413	16.0
93.06963	25.8
95.04874	1.7
95.08525	72.2
97.06455	3.1
97.10109	12.7
105.06951	10.6
107.08537	13.9
109.10107	27.6
111.08005	1.8
119.08505	8.4
121.10074	9.6
123.11678	13.2
133.10092	9.8
135.11664	5.8
142.43799	1.5
147.11595	2.3
149.13222	2.7
160.61047	1.4
161.13222	5.5
163.14775	2.4
175.14795	2.7
184.66043	1.5
245.22647	5.7
263.23663	13.4
337.27280	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56504	0.9
55.05445	1.5
56.96501	100.0
67.05397	1.1
69.03342	1.1
69.06964	1.4
70.82206	1.0
71.94170	1.2
71.95174	1.8
74.97505	2.0
79.05427	1.8
81.06977	2.2
83.08525	1.3
83.72893	1.0
84.08070	1.1
84.95972	1.1
85.02783	1.2
93.06956	2.7
98.97513	16.4
100.11169	1.5
105.06995	1.4
116.98565	25.7
119.08528	1.4
131.00108	1.6
134.99622	21.1
137.02684	1.9
139.41415	1.1
145.01505	1.4
146.99651	2.3
149.01196	8.9
153.00665	5.2
155.03773	2.3
158.99597	1.9
165.52370	1.9
167.02208	5.2
169.05304	1.3
171.03189	5.0
174.01993	1.8
175.02765	1.5
177.00682	2.8
181.05309	2.0
183.03334	2.0
183.06868	6.3
189.04298	1.7
191.03804	1.3
192.03108	1.5
199.02843	1.9
201.04312	5.2
209.04799	16.2
211.06366	18.2
227.05836	11.9
229.07417	41.0
237.04324	9.8
245.06929	6.5
247.08563	11.6
255.05341	72.3
273.06393	62.8
273.08661	1.2
274.06555	1.4
274.97314	11.6
278.06940	2.8
292.98523	18.7
315.07468	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05433	2.6
56.04974	2.0
56.96496	0.9
57.03360	2.1
60.04433	1.1
61.02841	3.0
65.10107	0.4
66.89408	0.4
67.05083	0.5
67.05427	11.6
69.03345	4.5
69.06982	4.4
70.06506	10.8
71.04905	1.0
71.06850	0.6
71.81237	0.5
72.08065	5.2
79.05402	3.2
81.03327	2.4
81.06506	0.8
81.06969	18.5
82.06480	0.6
83.04868	0.5
83.06009	2.3
84.04420	4.2
84.08066	9.6
85.02338	0.8
85.02829	16.8
85.10111	0.5
86.09628	11.8
88.03916	0.5
91.05380	1.8
93.04432	0.8
93.06966	7.1
95.04891	0.9
95.06027	2.0
95.08529	65.8
97.02821	3.6
97.06461	1.1
98.06002	0.7
98.43206	0.5
98.97487	2.1
99.04383	13.4
99.08006	2.7
102.05467	0.8
105.06990	3.6
109.02830	2.0
109.10091	4.4
110.07115	30.3
111.07436	0.7
113.07086	0.6
113.09589	3.3
115.08642	0.4
116.07014	0.6
116.98567	3.2
119.04882	0.5
120.08064	3.3
121.10091	0.5
123.08018	80.6
127.03883	1.9
129.10185	4.3
134.99612	2.7
136.07533	0.8
137.09601	3.9
141.09076	100.0
145.04875	0.7
156.07692	5.3
157.86464	0.4
159.10132	14.4
165.09082	0.7
177.00676	0.6
189.00626	0.5
266.00922	0.5
274.97485	0.8
292.16357	2.2
292.98434	1.7
338.17038	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	338.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05457	1.2
55.70362	1.0
56.96501	2.2
64.33247	1.4
67.05429	8.6
69.06973	6.0
73.00887	1.0
79.05402	2.3
81.06963	14.3
83.08517	1.8
85.01907	1.2
89.44786	0.9
91.05417	11.0
93.06974	15.2
95.04889	4.7
95.08515	10.0
98.97511	16.8
101.26107	1.1
105.06989	8.4
106.37984	1.2
107.08515	5.9
109.10100	11.3
116.98563	16.8
117.06984	1.2
119.08521	13.1
121.10091	2.4
123.11651	34.3
129.06985	1.3
131.08527	1.8
133.10106	7.3
134.99619	9.4
135.08067	1.3
135.11644	1.2
137.09566	6.9
143.08495	1.6
145.10072	2.8
147.11612	1.3
151.11131	4.9
155.08490	1.8
157.10109	1.6
159.11671	2.8
161.09549	1.7
165.09076	17.6
166.75403	1.2
172.95213	1.4
179.10609	1.5
185.13210	2.5
189.12692	2.6
197.13316	2.2
211.14752	1.7
215.14333	1.8
229.15823	1.9
233.54248	1.2
234.43156	1.2
257.22675	1.6
267.20914	8.1
274.97452	8.4
285.22009	13.9
285.53748	1.2
292.98453	13.5
303.23111	100.0
304.23431	1.8
338.23553	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.3412
Annotation	13Z-Docosenamide
Peak:m/z	Relative Intensity
54.81972	0.6
55.05446	1.2
55.64212	0.8
56.69704	0.6
57.06773	0.7
57.07008	6.9
69.06990	1.0
70.06486	0.9
71.08539	1.1
72.08068	33.8
76.92599	0.7
85.19527	0.7
98.21126	0.7
104.36522	0.7
104.94608	0.8
105.99193	0.7
142.12273	1.7
164.14064	0.8
181.19324	0.9
185.17038	0.8
338.34073	100.0
339.34464	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	339.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05446	100.0
61.48852	42.0
62.20293	38.1
67.05428	66.1
69.07003	74.5
80.17641	49.0
83.08528	50.0
92.10285	75.8
132.65408	47.5
133.10027	47.8
153.22665	49.4
217.76811	46.4
333.29935	48.6
338.33832	75.6
339.28915	62.0
353.44604	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2888
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
55.05191	2.8
55.05449	70.7
57.03376	35.4
57.07010	25.0
59.40825	2.6
61.46325	2.2
63.96685	2.2
64.57053	2.8
67.05424	49.8
69.06986	68.6
71.08533	12.0
75.90347	2.8
77.68853	2.7
79.05424	28.2
81.06966	43.6
83.04876	3.1
83.08539	45.9
91.05424	3.4
92.10236	5.0
93.06966	21.7
95.08532	38.9
97.06456	3.8
97.10094	17.1
98.97521	4.4
107.08534	16.6
109.10096	16.6
111.11631	5.7
116.98564	6.4
121.10087	11.8
134.99562	4.4
135.11690	10.3
143.53912	2.8
152.83353	2.7
168.38173	2.8
224.52237	3.0
246.49811	3.1
274.97198	3.3
292.98651	3.5
317.71564	2.9
339.28812	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2888
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03873	2.1
54.81940	1.7
55.05450	78.0
57.03367	37.0
57.07004	26.6
59.04922	2.0
62.81452	1.8
64.33708	2.0
67.05421	41.6
69.06985	75.8
71.08537	13.2
79.05401	17.6
81.06977	32.9
83.08535	42.4
83.14870	2.0
85.10101	2.5
91.05383	1.8
93.06966	24.9
93.82639	2.4
95.08529	35.3
97.06453	4.3
97.10085	19.5
98.97511	8.7
107.08527	11.6
109.10104	12.0
111.11685	3.5
114.85396	1.8
116.98569	12.6
117.84112	1.9
121.10130	16.3
134.99622	7.9
135.11647	11.2
136.01077	1.8
146.50328	2.4
149.13260	3.2
149.34363	2.0
154.65208	2.6
250.97552	2.0
265.25287	2.8
274.97437	11.0
283.17184	2.1
292.98526	10.7
339.28860	100.0
357.93909	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2888
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
52.09529	2.6
54.81861	2.4
55.01823	3.1
55.05452	87.9
57.03377	42.7
57.07016	30.1
61.68958	2.3
64.82695	2.4
66.34547	2.3
67.05424	47.9
69.06988	100.0
71.08546	12.3
76.56592	2.4
78.21284	2.4
79.05412	25.7
81.06975	42.6
83.08537	64.6
91.05424	3.1
93.06985	25.7
95.08537	40.3
97.06449	5.1
97.10092	25.9
98.97520	17.3
107.08521	15.7
108.39364	2.4
109.10139	16.1
116.98573	17.1
121.10096	16.8
123.11642	3.8
134.99625	5.1
135.11642	11.8
136.32372	2.6
184.09741	2.5
186.96527	2.7
234.18178	2.8
260.37302	3.0
265.25330	4.7
274.97357	4.3
292.98453	12.3
339.28867	99.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1026
Annotation	6-GlcO-I3CO2H
Peak:m/z	Relative Intensity
52.15900	0.1
53.03863	0.5
53.57072	0.1
55.01793	0.4
55.05434	0.4
56.96491	0.2
57.03370	0.9
59.09700	0.1
60.14542	0.1
61.01036	0.1
61.02561	0.1
61.02850	1.8
69.03344	3.6
69.06976	0.2
70.06501	1.7
71.04894	0.4
72.08050	0.5
73.02814	0.6
81.03334	1.6
83.01250	0.2
83.08506	0.1
84.04417	0.2
84.08067	1.2
85.02820	7.1
86.09632	0.9
87.04357	0.7
87.71246	0.1
91.03859	0.2
91.05363	0.2
92.10857	0.1
94.06458	0.2
97.02819	2.2
97.10088	0.6
98.97475	0.1
99.04341	0.7
100.11166	0.2
102.03311	0.1
103.05400	0.2
104.04904	1.3
105.03334	0.2
105.06927	0.1
109.02829	0.7
110.07119	0.4
112.08685	0.1
116.01176	0.1
116.98602	0.1
119.04849	0.1
120.08035	1.0
121.08362	0.1
122.05982	0.8
125.09616	0.2
127.03862	0.9
129.10190	0.5
130.08524	0.1
131.04872	0.2
132.04411	7.8
143.10651	0.4
145.04909	0.5
160.03897	0.4
177.68347	0.1
178.04942	100.0
179.05310	1.5
340.10257	1.2
340.25711	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88280	1.4
56.04972	6.4
56.96493	2.5
57.20002	1.4
60.04445	10.7
62.06007	6.9
69.03343	6.3
69.06973	2.7
70.06501	7.2
72.08062	2.4
72.19906	1.3
74.05994	2.6
81.03333	3.0
81.04432	7.9
82.05241	10.5
83.06008	11.1
84.04412	6.8
84.08055	9.8
85.02828	8.4
86.09618	4.1
88.52999	1.8
91.73643	1.6
93.04459	8.8
95.06014	5.9
97.02822	3.2
98.97509	11.2
99.05492	3.8
102.05478	9.5
106.68018	1.5
108.05526	8.6
109.06340	8.8
110.07111	100.0
112.08614	2.0
116.98559	12.6
117.98923	1.7
118.06464	1.8
120.05539	1.9
120.08034	20.3
122.07096	8.5
127.05036	1.9
130.06476	29.1
132.04408	2.7
132.06799	13.6
132.08060	3.2
134.07127	2.8
134.99615	10.9
135.07874	6.1
136.05019	10.4
138.06602	2.1
139.03922	2.2
143.07021	1.8
146.05945	8.2
146.99591	2.8
147.07607	2.4
157.07590	37.0
158.05942	20.0
158.99617	2.6
159.09143	3.6
160.07513	6.0
162.06613	2.1
166.08614	2.9
167.09288	2.1
169.07593	2.2
175.07217	2.4
175.08609	10.8
177.00681	7.5
179.09198	7.5
185.07098	2.9
210.45746	1.8
261.07504	1.7
267.12268	10.8
277.10745	2.7
294.13327	20.0
322.12827	28.7
340.13858	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	340.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68770	0.4
65.17723	0.4
69.06984	2.1
70.06507	0.5
76.52232	0.5
83.06006	1.1
86.09623	100.0
95.06021	0.9
110.07111	16.1
129.82104	0.4
129.83479	0.5
132.10162	34.9
136.06133	3.6
156.07614	0.8
178.13402	2.7
223.15552	1.2
223.84154	0.5
251.14989	1.1
340.19879	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94075	0.5
53.03882	1.0
54.10564	0.5
55.01813	5.5
55.05452	52.3
56.04970	1.0
56.96491	2.5
57.03368	2.6
59.04917	1.0
60.04451	0.9
61.02848	3.2
67.05428	7.0
69.03349	13.5
69.06983	9.1
70.06512	9.3
71.04904	0.9
72.08064	3.5
79.05407	7.5
81.03335	3.1
81.06974	11.0
83.04910	2.5
83.08536	42.5
84.04423	3.1
84.08070	10.0
85.02827	16.9
86.09628	8.6
87.04404	1.0
88.03938	1.0
91.05392	3.5
92.10252	0.6
93.06990	0.9
95.08551	0.7
97.02839	6.3
97.10100	89.6
98.97492	1.4
101.09573	2.2
102.05438	0.6
103.05372	4.2
105.06993	4.8
107.04893	0.7
107.08537	12.6
109.02829	1.1
109.06453	0.5
110.07104	5.1
111.08015	0.6
111.23559	0.5
115.05392	2.2
116.98585	2.4
119.04893	2.9
119.08520	1.0
120.08068	8.0
122.03554	2.2
125.09586	100.0
129.06927	0.8
129.10193	3.7
130.06479	0.9
131.04893	5.2
133.06436	3.2
134.99580	2.4
135.04391	1.1
137.05957	15.6
143.10652	81.7
144.10936	0.7
146.99617	1.2
147.04388	1.3
150.06697	1.1
159.07997	1.1
160.75653	0.6
161.05942	3.2
161.11703	10.0
163.07437	1.1
175.07515	1.2
177.00684	1.1
178.04964	2.4
187.07494	2.9
191.08556	2.9
219.08066	3.3
247.07434	0.9
251.10736	2.9
253.08531	0.8
279.09982	1.4
296.07098	1.0
309.10925	0.7
311.12689	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	4.5
55.63630	2.0
57.07002	4.3
59.56262	2.6
60.03424	2.8
63.49778	2.4
66.19652	2.1
66.75928	2.1
67.05421	19.4
72.04417	17.2
75.23693	2.2
76.49187	2.9
79.05400	3.7
81.06982	12.9
82.34102	2.4
87.02612	3.2
91.05399	5.3
93.06981	5.6
95.08542	5.5
100.52231	2.7
100.70044	3.3
108.05682	3.7
108.48584	2.8
109.10099	4.0
119.08523	5.0
121.06450	40.7
129.91798	2.4
133.10104	13.7
137.09598	14.0
146.07249	2.9
149.09598	100.0
161.09587	46.6
164.11935	33.5
177.12712	64.3
188.42508	3.1
205.14287	2.6
208.73561	2.7
224.20081	2.8
228.93790	2.9
283.16898	2.7
284.17523	18.5
310.72037	2.8
340.23624	14.9
340.26669	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	340.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81553	3.6
55.05453	55.3
57.07001	19.0
60.04165	4.4
60.04455	76.3
67.05424	33.7
69.06988	59.6
79.05395	15.9
81.06972	46.5
83.08528	47.4
91.05392	17.1
93.06984	8.4
95.08517	37.5
97.10093	22.4
105.06989	6.6
107.08504	6.3
109.10085	22.6
116.98569	4.9
119.08498	8.7
119.32303	3.9
121.10091	9.4
123.11669	4.8
133.10100	16.6
142.15909	25.9
147.11633	6.3
154.12251	21.4
172.13222	6.5
174.62769	4.2
280.26291	29.1
298.27423	39.6
340.28351	100.0
341.26367	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	340.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00756	2.7
55.05447	21.6
56.04968	8.3
57.07013	4.3
57.35877	2.8
58.02897	25.6
58.06541	6.2
59.39248	2.6
62.53226	2.7
65.03889	3.3
67.05434	37.4
69.06989	30.4
70.06515	100.0
73.73547	3.5
75.12871	2.9
77.45336	3.2
79.05399	16.0
81.06982	43.9
81.07420	4.4
82.06504	19.5
83.08530	5.8
84.04428	33.2
84.08060	6.4
91.05399	5.7
93.06960	13.6
94.06471	4.9
95.08538	52.7
96.08072	7.9
99.68030	3.1
101.73937	3.5
107.08560	4.3
108.09861	3.0
109.10094	14.3
114.43138	3.1
123.08091	3.8
135.11644	3.7
145.10144	4.4
148.49857	3.3
152.14334	7.8
154.99565	3.5
158.22517	3.8
161.53845	4.2
162.12750	8.2
168.17456	69.2
180.13821	22.2
198.14851	60.3
237.11572	3.3
257.95120	3.5
340.28375	43.8
340.39468	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	340.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05190	1.1
55.05450	20.0
57.03372	1.3
57.07010	7.7
62.06015	100.0
62.36689	0.9
67.05420	9.0
68.31374	0.8
69.06985	20.6
71.08532	3.6
72.04417	2.1
73.85316	0.9
79.05413	4.7
81.06966	14.9
83.08526	10.4
85.06440	1.7
93.06966	9.4
95.08539	10.4
97.06434	1.4
97.10078	6.0
100.45935	1.2
107.08537	3.6
109.10101	4.6
121.10104	4.2
135.11661	4.2
149.13249	1.3
163.13472	1.0
173.36343	1.1
322.30936	2.3
323.29395	5.7
340.26276	1.7
340.28180	1.4
340.32089	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	340.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94487	1.4
53.62390	1.2
53.63186	1.3
55.05441	2.0
57.06773	1.5
57.07014	24.7
69.06983	2.5
71.08532	8.8
74.05996	6.9
74.09641	1.8
88.07556	17.9
92.10820	3.1
102.09105	11.3
116.10639	2.0
130.12254	2.3
138.77106	1.7
192.72284	1.7
195.34032	1.7
245.77399	1.7
269.68723	1.7
284.29456	46.1
340.35666	100.0
340.39725	4.0
341.36353	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	340.3572
Annotation	Docosanamide
Peak:m/z	Relative Intensity
54.81641	0.9
56.74725	0.8
57.07010	11.0
71.08530	4.5
74.09234	1.8
74.09632	46.5
90.52154	0.9
100.07558	1.5
228.73849	1.0
235.55342	1.1
340.35678	100.0
341.36450	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.357
Annotation	Docosanamide
Peak:m/z	Relative Intensity
50.00732	1.5
50.99863	1.3
57.06998	7.7
57.29554	1.5
57.30926	1.5
58.45025	1.5
60.17982	1.3
60.40780	1.5
63.03028	1.5
63.37208	1.6
63.38486	1.6
71.08530	2.1
72.04424	8.6
81.84876	1.6
86.12337	1.7
93.65454	1.6
102.09122	2.6
116.10677	3.6
340.35678	100.0
341.26611	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	341.0867
Annotation	AESCULIN
Peak:m/z	Relative Intensity
53.03877	0.4
55.01804	0.3
55.05442	0.5
55.48280	0.2
56.04967	0.5
57.03370	0.4
60.04444	0.4
61.02846	0.4
62.06007	0.4
67.05412	0.4
69.03340	2.0
69.06987	2.1
70.02885	0.2
70.06507	4.8
70.07259	0.2
71.04905	0.3
72.08062	2.8
74.05980	0.3
79.05392	0.5
81.03320	1.1
81.06949	0.3
81.23276	0.2
83.06025	0.3
83.42899	0.2
84.04423	2.0
84.08061	4.5
85.02823	3.5
85.08369	0.2
86.09621	3.1
87.04375	0.3
88.39806	0.2
89.03818	0.5
91.05397	0.3
95.04887	0.4
97.02834	1.6
98.97503	0.2
99.08006	0.2
100.07539	0.5
102.05463	0.5
104.34708	0.2
105.03311	0.3
107.04890	0.2
109.02811	1.0
110.07114	3.0
112.08654	0.3
117.03335	0.4
120.08029	0.9
123.04373	15.5
129.10190	2.3
133.02818	13.8
135.04382	2.7
136.07527	1.1
143.07004	1.1
151.03877	5.9
161.07991	0.3
179.03349	100.0
180.03699	1.1
190.55379	0.2
260.34869	0.2
328.58795	0.2
341.08682	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96502	3.9
59.76089	2.1
69.06970	1.9
79.05395	2.8
83.91058	2.3
91.05391	4.9
94.04080	3.3
98.97517	16.8
103.05400	2.1
105.06965	15.2
107.04873	2.9
113.74294	2.6
116.98570	25.9
118.98161	2.5
119.08553	3.6
121.06283	2.4
122.03599	11.4
128.06206	2.5
132.05672	2.6
133.06419	9.0
134.99615	19.5
135.99870	2.3
137.05946	100.0
138.06342	2.5
147.08028	2.6
147.58777	2.1
151.07460	2.7
153.00685	4.0
159.08031	3.7
161.05917	13.6
175.07478	15.5
187.07530	5.0
190.07700	3.2
191.08469	16.9
196.57027	1.9
199.07521	4.4
202.07726	4.4
203.08456	9.0
218.07100	3.6
219.08067	21.3
220.08847	2.8
231.07986	9.7
247.07436	9.0
251.10663	16.6
259.07541	2.4
277.00681	3.6
279.10205	9.9
291.09982	3.8
294.98297	4.0
295.95950	3.4
311.12723	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	341.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34801	0.4
52.96717	0.5
55.01805	1.1
56.96499	1.2
64.33758	0.5
66.84656	0.6
66.95184	0.5
79.05402	3.5
81.06957	1.3
83.39796	0.5
88.07587	0.6
91.05402	5.2
91.39279	0.5
92.10276	0.7
94.04117	5.1
95.04903	0.7
97.19717	0.5
98.97514	0.8
103.05411	2.3
105.06973	10.5
107.04893	1.2
109.06487	2.3
115.05420	6.2
116.06167	0.7
116.98563	1.0
117.06969	0.9
119.04888	0.6
119.08523	2.8
121.06480	1.0
122.03594	16.4
128.06163	3.7
128.60629	0.5
129.06148	0.5
129.06938	4.6
131.04895	2.2
132.05687	3.5
133.06462	7.4
137.05948	100.0
138.06277	1.2
141.07002	0.7
144.05670	1.2
145.06468	1.1
146.03589	1.0
147.08023	4.2
149.05968	1.2
155.04880	1.4
156.05687	1.1
159.08017	3.3
160.05148	2.8
161.05971	10.1
165.07037	0.6
172.05122	2.7
175.07504	17.5
179.08598	0.6
180.09282	0.5
181.73367	0.6
184.05196	1.0
184.25990	0.5
187.07507	8.2
189.07011	2.4
190.07736	8.7
191.08511	18.3
199.07513	7.6
202.07750	6.4
203.08507	9.4
204.09045	0.7
205.06500	1.3
207.08018	2.5
208.08781	1.2
213.08054	0.7
218.07224	5.2
219.08006	23.9
220.08766	4.5
221.05917	0.7
230.07399	0.7
231.07858	7.7
232.09132	3.1
235.07486	3.6
236.08260	4.0
237.09023	2.8
246.06822	0.7
247.07524	7.3
248.08281	4.1
251.10583	18.8
253.08646	1.0
258.07040	0.7
259.07507	3.8
260.08228	2.7
260.25726	0.6
261.08960	1.1
263.10550	1.2
264.07632	1.2
275.07391	0.7
276.07925	2.4
277.08554	3.4
279.10114	8.7
280.10822	0.9
281.08057	0.9
291.10129	4.4
292.10904	2.4
295.13104	1.1
296.10364	1.2
311.12756	11.8
323.12656	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74675	2.8
55.05444	4.9
56.96514	6.9
57.07019	3.2
63.30849	2.9
67.05416	5.3
70.85401	3.5
71.04890	5.0
79.05440	3.4
81.06985	8.4
85.02808	4.3
86.03786	3.9
90.08691	3.0
91.05392	5.7
94.04076	4.3
95.08517	4.1
98.97514	14.9
100.11169	6.1
105.06930	5.0
105.31693	3.3
107.04891	4.8
109.06422	3.7
116.98550	27.6
122.03580	7.9
129.06993	8.0
133.02808	6.7
134.99615	24.2
137.05949	100.0
144.05699	6.8
153.00728	5.6
157.06432	4.8
161.05923	4.3
161.88528	3.4
166.52005	3.4
172.05191	8.5
174.06746	7.6
175.07535	14.0
182.15343	4.4
187.07449	42.2
189.09076	14.8
191.08437	4.2
196.05161	14.6
197.05992	4.0
201.83568	3.4
202.07816	7.5
203.08549	20.9
205.06425	3.7
211.07414	31.8
213.05356	4.2
217.08609	7.4
219.08047	19.0
220.08890	5.5
225.05418	3.5
227.06915	33.2
231.07893	26.9
232.08826	5.2
233.06239	3.6
236.08315	5.2
239.07014	11.8
240.07773	8.1
247.07516	14.8
248.08255	36.2
249.08742	4.3
253.08583	4.2
255.06361	28.1
256.07104	8.0
259.07465	5.6
263.10638	13.5
264.07733	4.1
265.08603	8.3
270.08783	43.6
271.09573	24.4
276.07654	8.6
277.00845	5.3
279.10141	13.6
291.10074	34.1
293.08035	6.8
296.10358	7.1
308.10779	4.0
311.12476	7.5
323.12732	23.2
341.14069	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	341.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01801	1.0
55.07802	1.0
56.96489	1.4
57.96418	0.9
64.29769	1.1
69.06924	0.9
79.05392	5.5
81.06960	1.9
91.05388	5.2
94.04113	4.5
97.30187	1.0
98.97495	2.6
105.06984	10.2
107.04875	1.1
109.06427	2.5
110.39457	1.0
115.05371	5.4
116.98533	7.8
117.06933	4.5
119.08532	5.7
122.03596	12.4
129.06944	2.2
131.04861	1.4
131.31281	1.1
132.05748	3.4
133.06430	6.7
134.99609	8.4
137.05945	100.0
138.06294	1.8
141.80186	1.2
147.08028	6.2
149.05995	1.1
153.00688	1.6
159.08012	4.3
160.05202	1.1
161.05974	8.1
167.06874	1.2
172.05090	4.4
175.07512	16.0
187.07492	7.7
189.06847	2.0
190.07692	6.8
191.08493	18.4
199.07507	7.0
202.07765	4.7
203.08527	11.2
208.08800	1.2
215.08578	1.3
218.07176	5.1
219.08008	22.2
220.08705	4.4
231.08046	8.7
236.08138	4.2
247.07451	7.0
248.08260	4.8
251.10573	21.8
259.07361	2.0
263.10736	1.3
264.07782	2.4
277.00674	1.3
277.08551	2.1
279.10101	13.1
280.10736	1.9
291.09988	2.7
311.12677	11.9
323.12695	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01800	1.9
56.04969	0.5
60.32574	0.4
62.85991	0.5
70.06503	3.7
72.08060	1.2
79.05402	4.9
81.06971	0.7
84.08065	2.9
85.02820	0.7
85.55309	0.5
86.09626	2.3
91.05405	11.3
92.10915	0.7
93.06920	0.5
94.04110	3.2
95.04873	2.1
98.97564	0.5
102.04636	0.6
103.05402	8.6
105.06969	40.7
107.04885	2.6
109.06430	0.9
110.07114	1.9
114.84027	0.5
115.05400	12.6
116.06208	0.9
117.06951	1.0
118.04079	2.7
119.04894	7.7
119.08510	3.8
120.08064	0.6
121.06483	0.9
122.03596	10.9
127.60084	0.5
128.06174	3.4
129.06950	6.0
129.10184	0.7
130.04074	1.0
131.04878	7.0
131.08540	2.0
132.05684	4.5
133.06451	29.9
135.04373	0.5
137.05946	100.0
138.06296	0.9
143.04950	0.8
143.05991	1.1
144.05670	4.2
145.06424	2.0
146.03651	0.7
146.07263	0.6
147.04390	6.3
147.08031	3.8
149.05957	2.6
150.06714	0.7
151.07507	0.9
155.04883	2.5
155.06032	0.5
156.05669	1.2
157.06470	0.9
159.08000	10.2
160.05118	4.0
161.05939	31.0
162.06450	0.6
163.07457	1.0
165.05569	0.5
165.06972	0.8
171.04364	0.6
172.05171	10.0
175.07495	20.1
179.06995	0.8
181.06415	0.5
184.05124	0.6
187.07509	24.8
189.06943	0.9
189.09186	0.8
190.07748	6.1
191.08496	13.6
199.07501	2.6
202.07730	2.6
203.08539	3.0
205.06435	0.9
207.08073	2.1
208.08800	2.0
217.08603	2.2
218.07298	4.3
219.05878	0.6
219.08003	18.7
220.08694	2.2
221.05992	0.5
231.08008	5.1
235.07632	1.9
236.08241	3.4
237.09082	1.8
247.07494	6.3
248.08264	3.1
249.05373	0.7
251.10608	18.6
253.08588	0.6
259.07480	2.2
263.10703	2.3
264.07715	2.0
265.08524	1.1
279.10107	10.7
280.10947	0.6
281.07959	2.0
291.10092	3.4
296.10373	1.9
309.11075	0.8
311.12698	15.4
323.12726	2.2
341.14200	0.6
354.70712	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68321	0.5
55.01804	2.5
55.05439	0.8
64.18568	0.6
67.05410	0.8
68.47200	0.6
69.03355	0.9
69.06986	0.8
70.06510	5.3
72.08073	1.1
75.93445	0.6
79.05401	4.0
81.06973	0.7
84.04395	0.9
84.08054	3.4
85.02798	0.9
86.09624	6.4
91.05406	8.9
92.10899	1.1
94.04102	4.6
95.04889	1.2
98.97471	0.7
101.80658	0.6
103.05401	6.9
105.06975	25.3
107.04853	0.9
109.06463	3.2
110.07104	3.4
115.05396	8.0
116.98582	0.6
118.04092	1.5
119.04893	4.0
119.08532	3.1
122.03590	11.7
128.06184	4.0
129.06931	8.1
129.10155	0.7
131.04897	4.1
131.08542	1.4
132.05661	2.9
133.02837	2.9
133.06462	19.2
137.05946	100.0
138.06250	2.5
143.04846	1.1
143.05968	0.9
144.05679	3.2
145.06448	2.6
147.04390	4.5
147.08044	2.8
149.05963	1.3
152.98543	0.7
155.04858	0.9
156.05586	1.0
157.06425	3.1
159.08028	6.5
160.05173	3.1
161.05946	20.3
161.09575	0.7
162.06628	0.7
163.07484	1.1
168.05672	0.8
172.05174	8.2
174.06685	5.3
175.07503	13.8
177.05350	0.9
179.07066	0.7
184.05257	0.9
187.07497	24.7
189.06932	1.1
189.09108	4.8
189.58023	0.7
190.07753	6.3
191.06915	1.3
191.08501	12.4
199.07530	2.9
200.64777	0.6
202.07716	4.8
203.08495	8.2
205.06454	0.9
207.08006	1.2
208.08830	1.4
211.07547	2.6
217.08478	5.0
218.07234	2.6
219.07988	15.9
220.08708	4.2
220.10612	0.7
221.05830	1.1
221.09373	0.8
227.06999	4.4
231.08047	7.4
232.08701	0.9
233.05920	0.7
235.07426	1.7
236.08220	5.1
237.08971	1.1
240.07726	0.9
241.40120	0.7
247.07475	8.3
248.08205	8.8
249.05685	0.7
249.08858	1.1
251.10561	14.8
255.06435	3.0
259.07483	2.7
260.08026	1.0
261.09155	2.7
263.08069	0.7
263.10516	4.7
264.07861	1.5
265.08511	3.6
270.08810	3.6
271.09695	0.8
276.07681	3.9
277.08429	1.3
279.10150	11.3
280.10770	1.0
281.08041	3.1
291.10123	10.2
292.10773	1.0
293.07947	1.0
296.10315	3.5
297.11090	1.0
308.10300	0.8
309.11264	1.4
311.12704	9.0
323.12692	8.2
341.13931	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	341.138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72191	0.4
54.56674	0.4
55.01804	0.5
55.05441	1.7
56.96490	0.4
65.03844	0.5
66.04623	0.5
67.05421	0.8
67.09746	0.4
67.31382	0.4
69.06964	2.0
70.06496	0.7
72.08091	0.4
79.05403	3.5
81.06969	3.9
83.04863	0.4
83.08541	0.5
84.08087	0.5
85.06438	0.6
86.09605	2.0
91.05390	7.3
93.06964	3.1
94.04101	4.5
95.04876	0.8
95.08518	1.1
99.09951	0.5
100.11173	1.1
103.05387	2.8
105.06976	12.1
107.04902	1.0
107.08513	1.8
109.06473	3.4
109.10104	2.2
115.05414	4.5
116.98550	0.5
117.06953	2.2
118.04082	0.6
119.08511	3.4
121.06458	0.6
121.10069	2.7
122.03590	14.0
128.06198	3.7
128.06999	0.5
129.06963	4.0
131.04904	1.9
131.08572	0.8
132.05627	3.4
133.06445	6.8
133.10118	0.5
134.13148	0.4
137.05946	100.0
138.06326	0.9
139.11272	0.5
141.06953	0.8
143.10678	0.5
144.05699	0.9
145.06447	2.3
145.10136	1.0
146.03642	0.9
147.04358	0.6
147.08029	4.2
147.11600	0.9
149.05978	1.7
149.13242	0.5
155.04895	2.1
156.05681	1.0
159.07973	4.0
160.05147	2.7
161.05928	9.6
165.06976	1.1
172.05167	3.2
175.07504	17.9
178.07767	0.7
184.05121	1.0
187.07486	9.3
189.06995	2.0
190.07768	7.9
191.08517	18.9
199.07491	7.1
201.16307	0.5
202.07719	7.0
203.08537	10.5
204.09262	0.4
205.06532	1.1
207.08072	1.8
208.08833	1.9
210.00298	0.5
218.07245	5.4
219.08015	21.5
220.08875	4.1
221.09474	0.6
231.08005	7.5
232.08842	0.9
233.09618	0.7
235.07477	2.5
235.10938	0.5
236.08302	4.9
247.07510	7.9
248.08159	4.5
249.09074	1.0
251.10574	18.2
253.08592	2.2
259.07526	5.1
260.08255	1.8
261.09128	1.7
263.10666	2.6
264.07736	2.8
265.08609	1.0
275.07199	0.4
276.07751	2.4
277.08582	2.5
279.10083	12.9
280.10687	0.9
281.08044	1.7
291.10080	4.6
292.10934	2.1
295.13208	0.6
296.10376	2.2
311.12698	14.0
323.12704	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	341.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17566	1.2
57.03373	38.7
58.91160	1.5
59.04937	6.7
59.40194	1.5
60.16012	1.5
60.76203	1.4
61.02849	3.5
66.18373	1.6
69.03349	92.4
70.06512	16.7
72.08066	2.5
73.02816	7.0
73.14620	1.6
75.04387	7.6
81.03319	6.3
81.04446	7.0
83.06020	3.8
84.04438	8.6
84.08064	10.2
85.02831	100.0
85.03348	3.5
86.03172	1.8
86.09628	3.4
87.04393	46.5
91.03866	2.4
91.89120	1.8
93.04440	2.2
97.02821	54.2
99.04405	2.4
107.35833	1.8
109.02815	2.6
110.07120	26.7
111.07471	2.1
115.03881	38.3
115.47681	1.8
116.06995	3.2
116.98547	2.0
127.03868	16.3
129.10204	2.2
133.04924	35.0
136.06197	2.4
145.04948	18.5
157.14661	1.6
163.05957	7.7
166.05034	2.4
167.29480	1.8
179.08101	13.9
198.73669	1.8
202.05315	3.0
223.46257	1.9
278.73724	2.0
290.43097	2.0
341.13031	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82006	3.7
57.06997	5.3
62.98173	13.6
67.05431	5.7
67.57339	3.0
68.28049	3.5
69.78574	3.5
81.06973	5.5
83.08503	3.8
85.02789	3.6
91.05408	4.2
93.06960	5.2
94.31539	3.5
98.97526	5.6
108.29456	3.6
120.11838	3.2
125.05926	3.9
134.99635	8.7
197.10715	29.3
223.53136	3.5
228.12500	7.5
241.13350	3.6
242.13724	5.2
246.71266	3.2
294.98407	4.7
296.22668	5.0
323.19342	3.8
341.20560	100.0
342.20767	5.2
349.28186	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	341.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10723	6.4
54.81480	9.4
56.23333	7.3
57.06999	11.2
58.99809	6.8
68.27686	7.4
78.80927	7.5
81.06991	9.9
85.10099	9.9
103.08628	100.0
127.03895	9.2
128.89165	7.5
155.62759	7.7
212.30768	7.7
220.09689	7.9
342.37363	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	342.1556
Annotation	His-Trp
Peak:m/z	Relative Intensity
51.53504	0.2
55.05445	0.2
56.04977	2.0
59.04919	0.4
69.03332	1.3
70.06499	1.2
74.60474	0.2
81.04452	1.0
81.06955	0.3
82.05234	0.5
83.06020	14.7
84.04414	0.5
84.08056	0.4
85.02812	2.0
85.06469	0.5
86.09644	0.3
93.04452	9.7
95.40903	0.2
97.02820	0.6
99.07988	0.3
105.33367	0.2
109.06480	0.3
110.07111	100.0
111.07463	0.3
116.07104	0.3
118.06489	0.3
127.03889	1.0
127.07533	1.0
130.06500	1.8
132.08066	0.4
136.07553	0.4
137.05971	0.3
138.06589	1.5
145.04912	0.4
146.05989	1.2
156.07646	2.6
158.08414	0.5
159.09120	2.2
165.07672	0.5
167.09236	0.4
169.07599	1.5
170.05965	0.5
188.07013	2.2
193.05949	0.6
195.08788	0.6
205.09665	0.3
210.13438	0.4
251.13010	0.3
296.14969	1.5
324.14490	3.8
342.15567	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	342.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03887	5.8
53.79076	3.0
55.05441	23.6
56.04960	4.7
56.96499	19.4
57.03380	5.7
57.07011	4.2
58.99509	21.6
65.03853	3.9
67.05437	33.8
69.03342	21.5
69.06985	9.8
70.06505	19.7
76.02144	27.2
79.05411	41.9
81.03312	5.3
81.06976	77.6
82.06496	9.2
83.04905	4.3
83.08537	6.9
85.02817	25.1
86.00567	18.7
86.09628	20.8
86.98970	14.9
88.02128	21.2
88.03903	8.2
90.65549	4.4
91.05395	59.9
93.06979	60.9
94.06477	4.7
95.04921	8.3
95.08536	53.5
96.04376	4.4
97.02820	15.3
97.06435	5.4
97.10068	5.0
98.97514	15.2
100.11188	5.7
105.00021	9.1
105.06969	100.0
107.04914	5.9
107.08564	46.8
109.06459	15.8
109.10107	24.7
111.02607	6.6
114.03694	6.5
115.05404	4.9
116.98546	17.0
117.06967	27.1
119.08532	65.9
121.06405	6.8
121.10101	15.1
122.02680	31.1
123.07993	3.7
123.11684	27.6
127.03882	16.0
128.06198	6.1
129.06938	16.0
130.07745	5.0
131.08525	46.9
132.01118	20.6
133.10063	30.7
134.99632	18.0
135.08052	26.9
135.11707	4.9
137.05948	19.1
138.06258	4.6
142.07784	14.7
143.08545	28.3
145.10117	49.6
147.08130	4.5
147.11642	29.8
153.05455	15.8
153.07071	5.1
154.12231	7.7
157.10081	19.3
158.10855	4.7
159.11652	9.0
161.05836	4.2
161.09567	15.6
161.13237	8.1
163.11113	8.9
173.13216	56.1
175.14804	9.2
185.13237	15.9
186.12903	4.0
191.14384	4.9
203.14299	75.1
205.10567	4.0
219.16101	31.7
221.15347	7.8
238.08841	3.8
252.13670	3.7
294.15253	15.1
306.14926	8.3
324.16269	60.6
342.16431	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	342.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03871	0.7
53.25127	0.5
54.81814	0.6
55.01804	1.1
55.05437	1.2
55.89585	0.6
56.91112	0.6
57.03368	16.2
59.04921	1.4
61.02842	4.6
68.98985	0.6
69.03342	7.7
69.36142	0.6
70.06495	1.4
71.04897	4.0
71.08545	13.6
73.02830	0.9
74.41370	0.6
79.05390	3.6
81.03320	3.9
81.06967	34.2
81.07449	1.2
83.04856	0.8
85.02823	30.9
85.06456	4.9
86.09650	0.7
91.03835	0.8
97.02811	7.7
99.04376	2.9
99.08022	34.4
109.02809	1.1
109.06456	42.7
115.01200	0.6
117.09073	100.0
127.03876	3.6
127.07500	54.6
127.37309	0.6
140.24916	0.8
145.04926	1.3
145.08514	1.3
163.09613	22.7
163.10974	0.8
171.69765	0.6
175.11877	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03348	1.8
69.07005	0.4
70.06507	52.6
71.06824	0.5
71.40221	0.2
79.05388	0.4
84.04388	0.3
84.08070	1.2
85.02814	0.7
86.05990	4.9
86.09625	100.0
87.09940	1.1
88.03940	0.4
89.64475	0.3
91.05412	1.4
91.94771	0.3
93.06961	0.3
97.02794	0.7
105.06960	1.1
107.08534	2.7
110.07108	3.1
111.95092	0.2
114.05491	2.1
114.10954	0.3
115.05375	0.5
116.07038	57.1
117.06941	1.3
120.08006	0.3
127.03856	0.6
135.08015	8.6
137.05966	0.4
152.08208	0.4
163.07544	1.4
181.08467	0.4
183.14935	2.6
201.12186	0.4
211.14337	0.5
225.09705	0.6
227.13841	3.2
229.15424	3.6
235.65265	0.3
316.30133	0.3
342.23737	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2386
Annotation	Diprotin A
Peak:m/z	Relative Intensity
50.07711	0.3
50.96793	0.3
51.06993	0.2
51.59044	0.3
54.27337	0.3
55.01792	0.5
55.05440	1.9
55.62909	0.3
55.80946	0.3
56.96505	0.7
57.14170	0.3
61.02857	0.6
65.03850	0.3
67.05415	0.7
69.03361	2.6
69.06977	1.5
70.06507	100.0
70.10307	0.3
71.04873	0.3
71.06840	0.5
72.08069	1.7
79.05412	2.7
81.03335	0.5
81.06973	1.7
84.04427	1.3
84.08072	1.6
85.02824	3.2
86.09627	18.6
89.05986	0.3
91.05405	3.0
93.06998	1.3
95.04893	0.4
95.08533	0.8
97.02813	2.4
98.31951	0.3
98.97500	0.7
99.04389	0.6
99.33299	0.3
100.11174	4.0
103.05399	0.3
105.06970	3.3
107.04858	0.7
107.08546	4.9
109.06476	0.7
109.10108	0.7
110.07114	0.7
115.05414	0.8
116.98577	1.8
117.06978	2.1
119.08540	2.0
120.08076	1.2
121.10152	0.6
122.03592	0.6
122.39231	0.3
125.05936	0.4
127.03905	1.8
128.03418	0.4
128.06183	0.6
129.10211	0.7
131.04916	1.3
131.08539	1.8
134.99638	0.7
135.08008	12.2
135.08949	0.6
137.05954	6.0
138.06317	2.2
144.08107	2.6
145.06517	0.4
145.08430	1.8
145.10101	1.5
147.08026	0.4
147.11600	0.4
151.84184	0.4
161.05923	0.6
162.09221	0.5
163.07542	2.2
163.09441	0.4
173.13246	2.3
175.07549	2.3
181.04973	1.6
181.08603	1.5
182.15382	0.5
183.14868	13.3
192.08762	0.4
203.14326	0.6
211.14352	7.0
220.08350	0.7
221.15552	0.4
228.13716	0.5
237.14320	0.7
245.18648	2.6
246.14874	1.5
252.10936	0.5
257.38889	0.3
280.10574	0.5
280.42401	0.4
324.16370	0.6
342.23764	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	342.2384
Annotation	Diprotin A
Peak:m/z	Relative Intensity
53.03872	0.5
54.81865	0.7
55.01803	0.7
55.05447	0.7
56.04978	0.5
56.96502	0.6
60.91315	0.5
61.76182	0.4
67.05434	0.6
68.03723	0.4
69.03343	5.6
69.06976	1.2
70.06504	100.0
71.01245	0.4
72.08065	2.0
79.05396	4.0
81.03326	2.0
81.06967	0.7
82.06490	0.5
84.04428	0.8
84.08067	3.3
85.02808	4.0
86.09621	19.6
91.05410	5.1
92.10901	0.9
93.06989	0.7
95.08569	0.5
97.02815	2.6
97.06446	0.8
100.11199	0.7
103.05408	0.8
105.06985	4.6
107.04898	1.9
107.08533	12.3
109.06474	3.3
110.07114	2.1
115.05393	3.9
116.98557	0.5
117.06960	4.5
119.08513	0.6
119.30108	0.5
120.08106	1.0
127.03901	2.6
128.91478	0.5
133.06470	2.4
135.08008	30.0
137.05981	2.5
138.06253	0.6
139.11201	0.5
147.08028	0.6
163.07452	4.2
181.08545	5.5
183.14870	14.8
186.05858	1.1
211.14339	7.3
218.61246	0.5
229.15540	2.5
245.18445	1.6
325.15433	0.8
342.23822	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	342.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39057	1.5
53.50712	1.3
54.08722	1.3
54.81993	1.9
55.01784	1.6
55.05442	10.1
57.07001	3.9
58.34895	1.3
67.05421	6.8
69.03342	4.1
69.06973	8.5
78.09641	1.5
79.05390	3.4
81.06973	22.5
83.08527	10.1
85.02810	8.7
91.05390	9.1
93.06973	14.0
95.04874	3.7
95.08518	16.6
97.06436	2.7
97.10081	3.7
99.04358	1.9
105.06972	63.2
107.08536	18.0
109.06470	3.6
109.10125	13.7
111.07992	2.0
115.05373	2.0
116.98519	2.8
117.06977	3.3
119.08533	24.5
121.06452	100.0
121.10103	13.4
123.08002	1.9
123.11651	37.7
127.03882	3.6
129.06938	4.0
131.08527	23.3
133.10080	6.6
134.81285	1.6
134.99615	6.5
135.08002	8.8
135.11658	7.9
138.98932	1.7
141.65129	1.5
142.07759	1.9
142.96358	1.8
143.08553	13.5
145.10098	40.3
147.08000	22.2
147.11674	1.8
149.13219	3.1
149.30252	1.8
157.10086	19.7
159.08006	3.7
159.11662	10.2
161.09576	10.2
171.11613	14.1
173.09508	3.3
173.13185	3.3
175.11079	2.4
176.20128	1.9
183.11627	3.4
185.13196	7.1
187.11211	2.2
187.14694	4.1
189.12672	3.1
211.14786	1.9
227.14243	2.6
240.23294	2.3
241.19418	19.1
253.19380	3.0
255.21118	1.9
257.18762	2.7
259.20425	12.5
271.20514	14.0
278.96866	2.2
283.20413	14.0
301.21552	46.1
342.20920	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00205	2.6
53.03890	3.9
55.01807	4.7
55.05451	29.3
56.01624	2.6
57.03376	3.7
57.07023	2.9
58.94228	2.3
67.05428	53.8
69.03348	16.5
69.06983	35.5
71.04906	45.3
79.05405	49.8
81.03338	12.4
81.06973	100.0
83.04878	5.4
83.08541	11.7
85.02823	13.4
85.06467	3.7
88.22732	2.6
91.05401	32.9
93.06972	37.7
95.04893	13.6
95.08537	38.1
97.02812	3.7
97.06463	11.5
98.97517	3.2
99.04364	10.2
99.08027	5.5
101.78801	3.2
105.06975	31.6
107.04893	14.7
107.05598	3.3
107.08562	23.1
109.06467	19.3
109.10090	13.1
111.04379	19.4
111.08077	4.8
116.98544	7.3
117.06942	5.6
119.08557	24.6
121.06463	7.0
121.10086	17.8
123.08033	6.6
123.11673	5.4
127.03891	7.0
131.08537	15.1
133.10074	15.0
134.99620	5.6
135.08038	4.4
135.11623	7.1
137.09547	10.9
145.04980	3.6
145.10083	6.9
147.11659	12.3
149.09618	11.0
149.13239	3.8
159.11694	6.3
163.11171	5.5
165.12630	4.3
167.10555	3.7
184.32224	2.9
257.19086	5.7
275.20026	56.1
293.21057	18.5
295.95670	3.4
307.22644	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	342.373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24384	0.4
53.00241	0.5
55.01818	0.4
55.05458	0.8
57.06738	0.6
57.07010	15.7
58.06532	3.2
62.06018	4.7
67.05431	0.6
69.03346	0.9
71.08542	7.8
72.08061	2.5
74.05937	0.4
85.02827	0.9
85.10090	0.7
86.05988	3.4
92.98856	0.4
97.02816	0.7
127.03832	1.6
156.17467	3.2
174.18495	7.4
209.14714	0.5
212.23686	2.5
230.24721	4.6
301.20297	0.8
324.36246	0.8
342.37231	100.0
343.37418	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	343.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98807	1.2
55.01811	1.7
55.05440	6.0
56.04971	15.5
56.40107	1.2
56.96481	2.5
57.03361	2.1
59.64612	1.2
60.04450	2.6
69.03342	3.4
69.06975	9.2
70.06508	69.9
70.06892	2.4
71.06830	1.5
72.08061	22.5
74.05989	29.2
75.05511	1.4
76.04396	1.4
81.03332	1.9
81.06965	1.6
83.06028	5.2
84.04420	18.0
84.08067	47.8
85.02834	10.3
85.08396	1.6
86.09626	100.0
87.09952	5.5
87.21896	1.2
88.03931	1.9
91.05409	6.8
92.10306	2.9
93.06994	1.8
95.04884	2.3
95.06018	1.6
97.02820	2.7
98.97511	1.6
102.05509	1.7
107.04880	1.7
110.07104	26.2
111.07458	1.5
112.08695	2.4
116.07027	14.5
116.98564	1.3
118.06497	2.4
120.08022	9.5
122.07055	1.3
127.03886	3.1
129.06502	1.6
129.10187	33.0
134.99661	2.8
135.08022	1.9
136.07539	3.3
137.05937	5.6
140.07082	1.4
145.04889	1.6
146.06012	2.7
181.04904	10.6
199.18027	3.2
224.02367	5.8
343.13568	83.1
346.13486	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40306	0.3
53.03881	0.7
53.29123	0.3
55.01805	0.7
56.04981	0.3
57.03366	0.6
61.02871	0.4
64.32912	0.3
65.03866	0.8
67.05412	1.7
69.03350	15.9
69.06982	0.4
70.06142	0.5
70.06507	12.2
71.04903	0.5
71.06841	1.5
72.08067	1.8
72.57333	0.3
79.05406	11.5
81.03326	0.8
81.06966	1.3
84.04429	0.3
84.08070	2.0
85.02813	2.4
86.05981	0.5
86.09621	17.3
87.09966	3.0
91.05402	15.5
93.06956	1.5
95.04892	1.4
97.02810	5.0
97.06437	0.6
98.97515	0.4
99.04383	0.5
102.83223	0.3
103.05368	0.4
105.06350	0.6
105.06979	8.6
107.04893	3.4
107.08537	36.5
108.08885	0.6
109.02830	0.6
109.06477	6.2
109.10117	0.5
110.07080	0.4
115.05395	12.6
116.07039	7.0
117.06927	14.6
119.06049	1.3
119.08542	0.5
120.05700	0.3
120.08102	0.5
121.06485	0.3
127.03835	3.3
129.10239	0.8
133.06424	1.4
135.08018	100.0
136.08395	2.5
137.05969	1.6
147.08061	0.5
149.09547	0.4
163.07501	18.4
181.08568	11.5
183.14941	0.5
199.14487	0.4
229.15500	0.6
260.53018	0.4
261.11346	0.5
315.72153	0.4
325.12860	0.5
326.29697	0.4
343.09012	1.6
343.13531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	1.1
55.01807	6.7
56.96499	1.7
57.03368	4.4
59.04943	1.0
61.02845	1.6
65.03865	1.6
69.03347	12.5
69.06964	0.8
70.06504	21.4
71.19630	0.8
72.08071	10.0
73.02818	2.1
74.05985	0.9
79.05407	9.8
81.03330	3.8
83.06021	1.6
84.04429	4.6
84.08048	4.2
84.65927	0.8
85.02824	19.4
86.09628	8.0
91.05407	2.2
94.04094	2.0
95.04906	2.0
97.02831	9.9
98.97542	1.0
99.04369	1.5
101.02269	0.9
103.05412	8.2
105.06973	87.7
107.04901	0.8
109.02837	1.8
109.06439	1.3
110.07099	4.7
115.03915	1.8
115.05421	1.5
116.07017	10.2
116.98557	2.2
122.03601	8.9
123.04388	1.0
124.05184	1.0
127.03870	12.1
128.26686	1.0
129.10190	3.5
133.06451	88.1
137.05948	100.0
138.06432	1.1
138.09105	2.0
139.03899	6.6
145.04922	4.4
147.04393	2.2
155.11732	1.4
157.09773	0.9
165.09073	28.1
165.10390	1.5
181.04901	3.7
182.12869	1.3
183.11273	5.0
200.14108	1.0
210.06458	1.1
219.01843	1.3
228.13429	1.7
237.02791	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2239
Annotation	E-64d
Peak:m/z	Relative Intensity
51.56707	0.7
75.20729	0.6
85.16904	0.6
91.50486	0.7
149.25836	0.8
150.76599	0.7
186.48883	0.7
258.29401	0.8
303.23129	1.1
343.22363	100.0
344.22787	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	343.284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	55.8
57.03366	6.2
57.07005	53.7
58.06511	5.0
61.30898	3.3
62.06006	3.6
67.05421	52.6
69.06988	55.5
71.08542	19.8
73.29967	3.9
79.05402	30.5
80.93289	3.5
81.06963	45.2
83.08523	37.9
89.53211	3.3
93.06965	36.3
95.08530	37.6
97.06468	17.1
97.10094	19.7
107.08552	21.9
109.05763	3.9
109.10080	15.2
109.21388	3.9
111.36526	3.6
121.10069	29.9
135.11665	21.6
149.13277	4.9
174.18475	6.3
233.22598	8.4
251.23599	24.1
252.47598	3.8
325.27359	26.5
339.61826	4.3
342.37256	93.4
343.37555	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76532	0.4
54.81672	0.5
55.05437	1.2
56.04965	2.9
61.01067	0.5
69.03359	0.5
69.06985	4.0
70.02865	1.1
70.06510	80.4
71.06854	0.9
72.08070	7.5
73.02476	0.4
73.02831	4.4
74.05984	2.2
79.98885	0.4
84.04427	3.3
84.08067	15.0
85.02849	0.8
85.03945	1.2
86.02324	0.5
86.09628	69.2
87.05507	0.9
87.09922	0.7
88.03918	13.5
96.04442	0.5
96.08057	4.2
98.01308	0.5
98.02361	4.3
99.05535	0.5
100.03896	4.6
101.07028	0.5
102.05480	2.7
104.05270	0.6
108.08022	0.8
110.04961	0.5
110.07105	3.2
110.09660	0.6
112.08654	0.6
113.10713	3.7
115.04962	0.5
116.07043	100.0
120.08083	1.0
124.07505	0.6
129.06573	0.5
129.10196	5.0
129.53819	0.5
130.08627	0.7
130.10606	0.6
135.85896	0.5
136.07600	1.0
138.09106	5.6
141.10216	10.3
141.64072	0.5
142.08646	0.9
146.05943	0.7
147.04416	0.6
147.06334	0.6
147.11258	0.8
152.07030	0.9
155.11786	0.6
156.10172	12.5
166.08612	2.4
170.95099	0.5
174.09128	1.1
178.08609	0.9
181.09703	0.5
183.11275	6.8
184.09692	2.5
200.13934	0.8
201.12314	38.3
202.08690	0.7
223.45938	0.5
229.11815	5.0
245.35460	0.5
276.36761	0.5
280.11664	0.5
298.12711	0.7
326.12192	1.1
342.73425	0.6
368.51190	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	3.2
55.01803	8.4
55.05441	10.6
56.96510	3.4
57.03373	14.0
66.42808	1.5
67.05112	2.4
67.05428	33.9
69.03346	3.4
69.06986	44.8
71.04903	13.6
73.02798	1.9
79.05408	37.9
81.03333	17.8
81.06977	32.6
83.04887	7.5
83.08521	7.1
85.06503	1.7
87.23608	1.6
91.05410	22.5
93.06972	24.9
95.04902	27.5
95.08530	15.5
97.06464	100.0
98.97531	2.1
99.08006	2.4
104.99204	11.1
105.06367	1.7
105.06963	15.3
107.04904	5.7
107.08540	17.8
109.06470	10.0
109.10128	7.6
111.08004	2.6
115.07516	15.6
116.98595	2.5
117.06968	10.3
119.08552	11.4
121.06476	1.9
121.10105	9.2
123.08074	2.7
123.11624	1.9
126.68452	1.7
131.08546	14.9
132.89240	1.6
133.10048	8.1
134.52756	1.6
134.99594	3.0
135.07973	3.1
135.11656	3.7
143.08574	1.8
145.10063	7.9
149.09683	2.0
149.13075	1.6
159.11642	3.2
173.13168	1.9
177.12695	3.5
185.13182	1.7
195.13690	2.7
262.97992	7.5
273.18356	3.7
291.19577	4.0
297.98318	1.8
310.83884	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01817	3.1
55.05448	16.9
57.03383	6.0
57.07005	3.7
59.04935	4.7
60.01855	2.6
67.05422	32.4
69.06979	23.8
71.04904	11.4
79.05421	36.4
81.03344	4.6
81.06983	55.9
81.68729	2.4
83.04897	3.3
83.08547	14.1
89.53019	3.2
91.05395	38.2
93.06977	53.0
95.04899	13.5
95.08535	44.7
97.06441	6.0
98.97556	2.8
104.99215	12.6
105.06962	51.0
107.04871	4.5
107.08549	54.0
109.06484	11.1
109.10101	43.0
111.08032	14.4
116.98547	2.9
117.07001	17.8
118.90873	2.7
119.08541	55.5
121.06480	4.3
121.10105	41.2
123.08032	3.8
123.11684	5.9
125.09661	4.7
129.06958	4.3
130.07788	3.4
131.08524	41.2
133.06525	3.1
133.10103	35.6
134.99585	4.2
135.11656	19.5
137.09595	10.1
141.06909	4.1
143.08479	20.0
145.10100	43.1
147.11670	20.8
149.13258	5.8
151.11157	3.1
155.08569	6.7
157.10109	24.6
159.11655	28.4
161.13237	15.5
163.11125	4.4
163.14799	3.5
169.10123	11.1
171.11630	17.1
171.12927	2.8
173.13237	23.3
176.86935	3.0
183.11702	5.2
185.13277	6.3
187.14809	12.8
189.12717	4.8
197.13319	11.7
199.14726	19.0
201.16379	6.1
203.14375	3.6
211.14848	17.0
213.16383	3.5
215.14316	3.3
215.17952	3.0
221.84175	2.7
225.16295	4.1
227.17947	6.3
229.15770	3.7
239.17957	4.6
243.17574	3.3
257.18912	3.2
262.97968	6.1
267.20999	46.6
285.22064	100.0
291.19611	5.7
303.23126	66.5
332.22675	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	344.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81736	4.2
55.01807	8.9
55.05445	63.0
57.03358	7.3
57.07008	8.7
61.17145	4.9
64.33423	4.5
67.05423	100.0
69.03297	5.2
69.06969	33.7
70.87233	4.9
71.04894	26.9
71.08539	5.2
79.05019	3.9
79.05408	48.7
79.37493	4.5
81.06973	97.9
82.17974	4.4
83.04890	19.8
83.08524	29.5
85.06451	7.1
87.04361	7.6
90.00821	4.5
91.05397	42.9
93.06976	75.7
95.04874	6.6
95.08528	64.4
97.06429	10.2
104.99211	36.1
105.06950	33.8
107.08513	34.4
109.10113	62.3
111.08028	7.2
119.08550	20.7
121.10105	21.4
133.10110	6.7
135.11694	5.7
139.11185	7.6
147.11655	7.7
149.13260	10.2
173.11736	11.1
187.91451	5.1
259.20612	6.3
260.06506	5.1
262.98010	21.3
275.72232	5.0
277.21475	32.1
287.77768	6.4
295.22665	5.6
309.24207	20.6
309.54053	5.4
344.25464	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56932	0.4
55.01810	0.5
70.06511	4.1
72.08047	2.2
74.05971	0.5
75.86664	0.5
79.05394	2.0
81.06976	0.8
84.04420	0.8
84.08079	3.7
85.02789	0.4
86.04218	0.5
86.09612	3.0
91.05392	2.5
94.04115	4.9
95.04874	0.7
102.05472	0.6
103.05399	0.7
105.06985	0.5
107.04863	0.8
109.06472	0.9
111.04346	0.6
115.05403	2.6
120.08039	0.7
121.06461	0.9
122.03590	13.9
129.10222	0.5
131.04874	2.0
135.07970	0.7
137.05946	100.0
138.06262	0.7
143.04860	0.9
149.05975	0.5
151.03897	1.0
159.04393	0.6
161.05975	4.5
163.07501	0.7
163.64525	0.4
165.06984	2.9
166.07788	0.5
175.07588	3.3
176.04716	0.6
178.07726	2.0
179.08461	3.9
181.02298	0.5
181.06450	0.9
182.07207	0.7
189.06865	1.5
191.06984	1.9
193.06485	2.6
194.07283	1.8
195.07982	0.8
205.06458	2.1
206.02843	0.5
206.07266	0.9
207.08052	2.3
209.06000	0.6
210.06721	2.7
211.07426	0.6
221.05931	2.4
222.06718	1.1
223.07513	1.7
224.08281	1.8
225.09016	2.9
234.06657	0.8
235.07574	1.9
237.09106	2.1
238.06197	1.1
239.10628	0.6
241.55032	0.4
249.09000	1.7
251.07034	0.8
252.07570	0.7
253.08600	4.3
254.81573	0.5
255.06483	0.6
265.08710	1.9
266.09186	0.6
267.10037	3.5
270.08664	0.5
277.08536	2.1
282.08810	0.5
283.09772	0.6
285.11252	2.7
294.08942	0.8
295.09564	0.7
297.11121	0.8
309.11133	2.7
327.12320	0.8
345.13113	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1542
Annotation	Iridotrial glucoside
Peak:m/z	Relative Intensity
53.03881	2.8
55.01802	1.8
55.05453	4.2
56.96489	0.6
57.03362	1.6
60.04473	0.4
61.42896	0.4
65.03854	0.7
67.05429	26.7
69.03351	5.7
69.06979	2.0
70.06510	5.5
71.04900	1.5
72.08074	6.2
73.02835	0.5
73.20685	0.3
75.04765	0.4
75.63142	0.3
79.05421	3.0
81.03336	15.2
81.06505	0.6
81.06973	15.3
83.04884	0.5
84.08057	2.6
85.02834	4.0
86.09621	5.7
86.59464	0.5
87.09954	0.6
91.05404	4.3
93.06940	4.0
95.04885	5.9
95.08530	7.8
97.02827	4.8
98.97465	0.4
99.04388	2.9
99.08005	0.4
103.05395	3.2
105.06964	1.5
107.04890	0.7
107.08547	3.9
109.02828	6.0
109.06457	2.8
109.10104	58.1
110.07085	1.4
110.10442	1.4
111.85664	0.4
113.05892	0.4
115.05419	0.4
115.96326	0.5
116.07056	0.9
116.98537	0.9
117.06942	0.8
119.08537	4.3
120.08068	1.6
121.10084	0.7
122.03621	2.8
123.05532	0.6
123.08037	0.8
125.05966	2.5
127.03880	3.4
129.10191	0.8
131.04881	2.6
133.06421	1.6
134.99684	0.5
135.07991	2.5
136.08368	0.5
137.05969	17.1
137.09589	100.0
138.09959	0.9
145.06464	0.9
147.11476	0.4
151.07518	2.1
155.10628	6.4
163.07532	4.6
165.09077	37.6
166.09418	0.5
168.70538	0.4
177.09096	5.7
183.10117	3.6
185.16493	0.4
185.60783	0.4
190.95435	0.5
201.11143	5.1
208.96452	0.4
309.13248	2.6
327.14133	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	345.1545
Annotation	Grevilloside D
Peak:m/z	Relative Intensity
53.03888	1.2
55.01822	1.3
55.05444	3.9
57.03367	3.6
67.00420	0.7
67.05428	36.3
69.03349	5.7
69.06985	1.6
70.06476	0.8
71.04914	1.6
79.05413	6.5
81.03336	6.8
81.06979	18.4
85.02827	3.4
86.09621	1.3
91.05411	5.0
92.63881	0.7
93.06449	0.7
93.06960	5.1
94.04101	1.4
95.04881	6.4
95.08537	10.5
95.62411	0.7
97.02850	3.3
99.04391	2.8
99.08018	0.9
103.05402	7.3
105.06978	4.0
107.08524	2.6
109.02839	3.8
109.06445	4.0
109.10107	69.3
110.10485	0.9
111.04375	0.9
114.37098	0.7
117.06949	1.4
119.04899	0.6
119.08533	4.7
121.06459	0.8
122.03606	7.6
124.07557	0.7
125.05927	2.8
127.03848	3.8
128.06145	0.7
131.04909	9.1
133.06470	5.0
135.08034	3.8
137.05962	53.0
137.09595	100.0
138.09947	1.4
145.06419	1.2
146.77344	0.7
147.08075	0.8
149.78894	0.7
151.07529	3.7
155.10635	6.2
163.07518	9.5
165.09090	33.8
175.07547	1.2
177.09082	14.2
183.10161	2.7
195.10031	0.8
201.11238	2.7
201.36954	0.7
221.11612	0.9
260.13580	0.8
296.40115	0.8
309.13303	3.1
315.16592	0.7
327.14197	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1538
Annotation	Iridotrial glucoside
Peak:m/z	Relative Intensity
51.23816	0.4
53.03888	2.0
55.01799	0.9
55.05445	4.6
56.96484	0.6
57.03352	2.1
59.14728	0.5
61.02852	0.8
67.05085	1.0
67.05425	27.5
69.03348	8.7
69.06966	2.8
70.06486	3.5
71.04897	0.8
71.14505	0.5
72.08061	12.0
73.08391	0.8
79.05392	3.1
81.03329	10.1
81.06969	16.5
83.66140	0.5
84.08065	1.1
85.02816	2.9
86.09624	17.9
87.09945	1.2
91.05400	3.3
91.72253	0.5
92.10235	1.1
93.06968	4.9
95.04889	5.1
95.07983	0.6
95.08533	8.6
97.02806	3.1
98.97492	0.7
99.04380	0.9
99.08041	0.6
99.94949	0.5
101.98885	0.5
103.05356	0.6
105.06982	0.6
107.08548	4.2
109.02808	4.9
109.06451	2.7
109.10098	58.8
110.10403	0.7
111.58896	0.5
116.98590	0.6
119.08509	4.8
125.05911	2.3
127.03880	3.8
135.07993	0.8
137.05934	3.2
137.09584	100.0
138.09973	0.8
147.07996	0.7
155.10638	4.1
165.09076	34.7
170.05931	0.6
183.10126	2.7
185.16429	3.1
186.16776	0.7
201.11230	4.2
213.15936	1.0
309.13138	3.3
327.14224	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02312	0.1
53.03874	0.2
55.01800	0.8
55.05455	0.1
64.33458	0.1
65.03852	0.6
66.04634	0.2
67.05421	0.9
69.03334	0.6
69.86743	0.1
70.06524	0.2
79.05402	2.1
81.03334	0.6
81.06990	1.1
81.50204	0.1
85.02819	0.3
86.09612	0.3
91.04830	0.1
91.05402	4.0
92.56147	0.2
93.06956	0.6
94.03576	0.2
94.04123	4.5
95.04893	1.5
95.08523	0.4
97.02812	0.2
98.97499	0.2
103.05403	11.9
105.03356	0.2
105.04427	0.2
105.06972	6.3
107.04915	1.7
109.02839	0.3
109.06460	1.9
109.10087	1.5
115.05396	1.2
117.06959	1.8
119.04899	1.0
119.08483	0.2
120.08086	0.2
121.06475	2.1
122.03596	12.9
123.08031	0.7
128.06200	1.3
129.06960	0.7
131.04893	11.2
131.08498	0.2
133.06456	11.9
135.08018	6.6
136.05200	0.3
137.05951	100.0
137.09509	2.9
138.06259	1.1
139.24188	0.2
143.04880	0.3
143.08556	0.7
144.05684	0.3
145.06470	3.9
147.04358	0.2
147.08044	1.0
149.05968	0.6
151.07518	4.6
157.06461	1.2
160.05144	0.4
161.05972	0.3
162.06700	0.7
163.07504	18.4
164.07817	0.2
165.09073	1.2
171.07954	1.1
173.05894	0.2
174.06738	0.7
175.07491	1.6
177.07494	0.2
177.09059	6.4
187.07495	0.3
189.09024	0.9
195.10100	0.2
202.07828	0.5
203.10666	0.9
217.09950	0.2
221.11636	0.2
235.11147	0.6
245.09557	0.2
263.10614	0.9
295.13171	1.8
327.15610	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02322	0.2
51.23989	0.2
55.01808	0.2
55.05444	0.4
56.96487	0.4
61.13209	0.3
65.03847	0.3
67.05426	1.1
69.03341	0.7
70.06516	1.4
72.08073	0.6
79.05415	1.7
81.06963	2.0
84.08068	0.4
86.09602	1.2
91.05392	4.8
92.10895	0.6
92.91369	0.3
93.06977	1.8
94.04110	1.5
95.04893	1.3
95.08535	0.5
95.85181	0.3
97.02852	0.3
98.95653	0.2
98.97519	0.4
103.05401	13.5
103.06086	0.5
105.04413	0.2
105.06982	1.1
107.04883	1.4
107.08575	1.0
108.05666	0.4
109.06426	1.1
109.10145	0.4
110.07096	0.3
115.05385	3.3
116.06177	0.4
116.93266	0.3
116.98536	1.0
117.06963	6.4
119.04898	2.8
119.08508	0.5
120.08062	0.5
121.06470	4.3
122.03605	4.9
123.07977	2.8
128.06177	1.1
129.07001	0.3
131.04890	21.3
132.05206	0.2
133.06425	0.6
134.07254	0.5
134.99641	0.4
135.04341	0.3
135.08005	2.0
136.05191	0.5
137.05949	55.5
138.06325	0.4
143.08536	1.5
145.06450	1.6
147.04379	0.3
147.08043	0.4
149.05983	1.2
149.09583	1.9
151.07513	16.5
160.05148	0.6
161.05891	0.5
162.06723	4.9
163.07503	25.2
165.09062	0.3
171.07988	1.3
175.07507	4.2
177.09064	100.0
178.09381	1.7
190.95374	0.5
195.10110	5.3
203.10632	0.4
208.96529	0.3
221.11792	3.6
222.11876	0.4
299.12558	1.1
365.46149	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03874	2.6
54.73538	0.4
54.82264	0.4
55.01789	0.8
55.05455	0.9
57.03365	1.0
57.76779	0.5
61.07349	0.4
65.03841	0.6
65.66953	0.4
65.72086	0.5
67.05423	12.0
69.03320	2.4
69.06960	0.6
70.06509	7.7
71.04896	1.2
72.08054	1.1
73.75095	0.5
74.05991	0.9
78.80415	0.5
79.05401	3.6
80.10997	0.5
81.03329	13.8
81.06967	6.0
84.04409	2.4
84.08060	2.6
84.28910	0.5
86.09642	4.0
88.03887	0.5
91.05402	5.9
92.10348	0.5
93.06956	3.4
94.04083	4.1
94.10667	0.5
95.04889	3.9
95.08544	4.7
96.66862	0.5
99.04379	2.2
103.05397	14.2
105.06973	8.3
107.04928	2.0
107.08526	0.9
109.02821	8.6
109.06452	2.5
109.10100	26.2
115.05387	2.3
115.08591	0.6
116.07015	0.7
117.06966	2.9
118.22803	0.4
119.04884	0.7
119.08516	3.3
119.22564	0.5
121.06398	1.1
122.02750	1.0
122.03590	14.6
123.08035	0.7
125.05941	1.0
128.06140	0.6
129.06950	1.0
129.10202	1.9
130.06512	2.1
131.04887	11.7
132.08034	0.8
133.06448	12.4
135.08011	8.2
137.05949	100.0
137.09579	42.6
138.06352	0.6
143.08501	0.6
145.06465	3.6
146.05966	1.9
147.04391	0.5
147.08081	0.7
149.05943	0.7
151.07507	4.2
155.10617	0.6
157.06494	0.8
159.09151	1.2
163.07503	17.7
165.09088	14.0
171.07915	0.8
175.07550	1.0
177.09019	0.6
183.10139	1.2
188.07047	1.0
189.09108	0.9
201.11147	1.2
241.13208	0.6
263.10587	0.7
295.13232	2.3
327.14236	4.5
334.34998	0.6
345.14917	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	345.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03873	0.4
55.01809	0.8
55.05448	0.8
56.04970	0.7
62.40850	0.4
64.00163	0.4
67.05413	2.2
69.03339	2.3
69.06979	0.9
70.06508	6.4
70.14930	0.4
72.08070	5.0
72.48843	0.4
74.05976	1.0
74.55693	0.4
79.05398	2.7
81.03327	0.9
81.06962	1.7
84.04433	1.0
84.08057	3.8
85.02804	0.5
86.09623	19.8
87.09944	2.8
88.03904	0.4
91.05411	4.7
93.06951	1.0
94.04111	4.6
95.04884	1.0
95.08530	0.6
97.02744	0.6
103.05402	12.9
105.06968	8.6
107.04861	1.9
107.08540	2.4
109.02833	0.5
109.06472	2.0
109.10101	3.6
109.49040	0.4
110.07110	0.9
115.05396	0.9
116.07039	1.7
117.06962	2.5
119.04866	0.8
119.08517	0.7
120.08048	0.6
121.06448	2.3
122.02755	1.2
122.03579	15.0
123.08035	0.6
128.06114	0.5
129.06943	0.6
129.10176	1.9
129.54741	0.5
130.06505	0.6
131.04878	9.8
133.06448	12.4
133.10104	1.0
135.08014	11.6
136.08382	2.4
137.05945	100.0
137.09491	4.4
137.68527	0.4
138.06239	0.5
143.08572	0.6
145.06439	4.4
147.07996	0.7
151.07489	4.6
154.17487	0.5
157.06496	0.5
161.05872	0.6
161.09607	0.4
163.07515	17.4
165.09068	1.5
171.07985	0.6
175.07520	2.0
177.09097	2.3
185.16508	0.6
187.14349	0.5
187.45078	0.5
189.09035	0.7
203.10606	0.7
210.06914	0.5
213.15929	0.5
215.13966	0.5
253.08678	0.7
263.10785	0.7
295.09927	0.5
295.13223	2.0
311.78287	0.4
327.15778	0.5
345.15079	1.5
345.18860	0.7
361.02274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01801	0.9
55.05447	2.7
57.07007	3.8
59.85152	0.5
65.03848	0.7
65.43800	0.6
67.05419	3.1
69.03358	1.0
69.06983	3.3
69.78379	0.6
73.06444	0.6
79.05397	4.7
80.00849	0.6
81.06964	3.9
83.08540	1.3
91.05397	15.8
93.06954	4.6
95.08516	4.6
101.92278	0.7
104.99206	3.7
105.06975	4.9
107.04867	4.2
107.08534	15.5
107.09213	1.0
109.06482	1.2
109.10105	1.4
117.06961	4.7
118.69896	0.6
119.08531	26.9
121.06466	4.2
121.10087	14.8
121.10912	0.8
123.08009	0.9
127.86481	0.6
128.06197	1.2
129.06972	3.8
131.04895	1.0
131.08549	0.7
132.05670	13.8
133.10098	3.9
135.08022	1.5
142.07704	0.9
145.06450	2.4
145.10043	0.9
146.07233	3.8
147.08018	100.0
149.09630	0.9
155.08521	0.9
157.10152	0.7
158.07188	0.7
159.08063	4.7
159.11684	0.7
161.09575	28.9
167.08572	1.0
167.10594	0.7
169.10117	1.0
171.08011	2.4
172.08800	2.8
173.09621	4.7
175.11148	0.9
179.08560	0.9
181.06467	1.0
181.10077	3.0
181.12244	0.9
182.07207	1.0
183.08005	1.3
183.11644	0.9
184.08795	1.4
185.09596	10.2
187.11252	1.0
192.09286	0.8
193.10034	1.2
195.08073	2.8
196.08795	3.9
197.09554	7.6
197.13266	1.4
198.10362	2.8
199.11153	7.7
207.11655	3.0
209.09552	5.8
210.10336	7.8
211.11125	19.2
211.13025	1.1
212.11713	0.9
213.12674	2.2
223.11159	10.0
224.11893	11.0
225.09198	1.3
225.12711	17.7
226.13274	0.8
227.14172	1.4
237.12605	5.7
238.13390	5.2
239.14282	2.5
252.14938	4.9
253.12143	0.8
253.15736	1.0
262.98080	2.3
267.17365	41.6
295.16821	5.8
327.19507	5.1
345.20129	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48916	0.4
55.05453	10.4
56.04968	1.1
60.01477	0.5
60.04455	1.2
69.03356	0.8
69.06979	10.0
70.02873	4.0
70.06505	14.7
72.08066	100.0
74.02363	1.2
74.05984	0.8
74.83010	0.5
79.05395	0.5
81.06963	0.5
82.06494	4.6
83.04912	0.6
83.06019	0.9
84.04425	5.3
84.08057	11.9
85.02813	1.0
85.03947	4.1
86.09624	73.6
87.05513	15.2
87.05997	0.9
87.09953	0.5
88.03916	11.3
91.05400	2.3
94.06511	0.7
96.08043	7.1
97.06476	0.6
98.02341	10.5
98.09613	0.7
99.09145	5.1
101.56725	0.6
103.05354	0.7
107.86650	0.6
110.02360	7.7
110.07125	5.6
110.09592	0.6
112.08641	0.6
113.10703	4.4
115.05064	0.6
115.08679	0.7
116.07024	1.3
117.09470	0.7
118.08615	2.6
120.08070	3.4
124.03891	1.0
124.07549	7.1
127.03822	0.6
127.08630	16.8
129.10181	5.2
130.08624	1.0
131.04927	0.6
132.10165	3.3
136.07550	1.1
137.05910	4.8
138.09103	4.2
141.10201	31.1
142.08580	0.8
143.11662	0.8
145.23111	0.6
152.07019	4.1
155.11746	7.0
156.10168	8.7
166.08592	5.6
169.09663	10.8
183.09158	3.6
183.11263	4.4
184.09573	0.9
186.12334	25.1
187.10770	2.3
197.09172	0.9
199.10710	0.8
200.13918	11.6
201.12288	18.5
212.09166	2.7
214.11833	14.9
221.02330	0.6
228.13455	4.0
229.11774	4.6
231.16939	1.0
241.15614	0.7
246.14380	2.6
282.17935	0.8
311.15842	2.7
327.20056	0.8
328.18564	1.3
345.14233	1.0
345.21304	1.1
358.43121	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	0.3
55.05442	1.7
56.04970	1.2
57.03369	1.1
59.77382	0.3
60.04465	0.3
60.05572	2.2
61.02855	1.1
65.03852	0.3
69.03349	3.5
69.06972	0.2
70.06508	15.3
71.04900	0.4
71.06837	1.5
72.07664	0.6
72.08068	18.2
73.02821	0.6
74.05989	0.5
75.05518	0.4
77.65106	0.2
81.03343	1.1
82.06513	0.4
84.04425	2.5
84.08062	2.0
85.02825	5.5
85.07587	0.3
86.09624	11.8
87.04412	0.4
87.09966	0.6
89.89124	0.3
92.04935	0.3
95.04884	0.2
95.06007	1.2
95.65357	0.2
97.02811	2.1
97.07578	0.3
98.97504	1.0
99.04345	0.3
100.05019	0.4
102.05489	0.5
109.02829	0.4
110.05965	0.4
110.07147	0.3
112.08648	2.4
115.08608	1.8
116.07047	4.7
119.01902	0.4
120.04465	1.1
127.03883	0.5
127.08655	0.3
128.98558	0.3
129.10219	0.5
130.08646	0.4
130.09650	0.3
132.10156	0.4
134.99550	0.3
136.07611	0.3
137.37000	0.3
138.05482	4.1
140.07069	0.9
140.08188	1.0
143.11732	2.7
144.12146	0.4
146.99577	0.4
148.03906	52.9
149.04285	0.3
152.05621	1.8
158.09200	1.9
161.02863	0.4
166.04956	100.0
167.05292	0.9
171.14911	2.2
175.11853	2.4
177.00627	0.5
184.06012	55.0
185.16536	0.3
185.61490	0.3
191.08441	0.3
195.07799	0.2
197.10391	0.8
199.14323	1.8
209.09502	0.3
215.11433	0.4
219.01711	0.5
219.08058	0.3
220.08325	0.4
232.13948	3.1
232.26033	0.3
233.14392	0.5
237.10945	0.2
247.12872	0.3
266.09045	0.3
271.17502	0.3
283.11557	0.3
310.18750	0.4
345.22354	7.4
346.11240	1.9
346.14969	0.4
346.22693	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	0.5
53.42303	0.2
55.01804	0.3
55.05444	1.3
56.04965	0.5
56.88406	0.2
56.96494	0.4
57.03378	1.1
60.05576	1.9
61.02853	1.6
65.03860	0.3
69.03346	3.9
70.06138	0.5
70.06509	13.2
71.04906	0.5
71.06837	0.5
72.08066	17.9
73.02810	1.0
75.05486	0.6
78.86710	0.2
79.30033	0.3
81.03332	0.4
82.06487	0.3
84.04432	1.4
84.08064	1.8
85.02828	4.8
85.29527	0.2
86.09624	10.5
87.04414	0.6
87.09958	1.1
92.04958	0.4
95.06016	0.6
97.02817	2.2
98.97504	0.4
99.04379	0.5
100.05038	0.3
109.02853	0.5
110.06013	0.5
110.07088	0.3
112.07539	0.3
112.08635	2.2
114.10213	0.3
115.08615	1.4
116.07029	4.5
116.98590	0.5
119.01862	0.3
120.04431	2.0
124.00587	0.3
127.03885	0.6
127.08585	0.4
129.10188	0.4
130.04967	1.0
138.05492	3.9
140.07033	0.4
140.08112	0.6
143.11749	2.6
148.03905	56.6
152.05646	1.8
158.09206	1.2
158.99600	0.3
161.01270	0.4
161.02873	0.3
166.04959	100.0
167.05237	1.0
168.08917	0.3
171.14908	1.9
173.09167	0.4
175.11862	2.9
184.06013	49.2
197.10219	0.5
199.14421	1.5
212.37865	0.4
219.08124	0.4
226.78693	0.3
232.13992	3.1
233.14288	0.3
271.17462	0.3
345.22385	7.1
346.11249	1.5
346.22778	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	346.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02328	0.1
53.03881	0.2
56.96499	1.0
60.58517	0.1
65.06836	0.1
72.08075	0.3
79.05404	0.7
84.95920	0.3
85.02834	0.2
86.09628	0.6
91.05405	0.7
93.06954	1.5
95.04852	0.3
95.67845	0.1
97.02831	0.1
98.97522	2.0
98.98134	0.2
98.98333	0.2
103.05397	7.0
103.06080	0.3
104.90950	0.1
107.04890	1.7
110.97506	0.3
116.98561	1.2
118.06475	0.2
120.08054	100.0
121.08407	1.3
128.98561	0.9
131.04865	2.1
134.99648	0.3
138.43254	0.1
143.00128	0.6
146.99649	0.7
148.50854	0.1
149.05981	1.2
152.98543	0.3
158.99644	0.2
161.01155	1.1
166.08595	18.8
167.08971	0.3
170.99562	0.6
177.00687	0.6
177.87578	0.2
219.01750	0.9
237.02734	1.7
277.06015	0.2
301.55722	0.1
304.06949	1.2
346.07861	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81888	0.2
55.05449	6.9
55.79260	0.2
56.04975	1.0
56.96500	4.9
57.03365	0.4
57.05753	1.0
57.54043	0.2
60.04449	2.0
61.02876	0.4
62.21215	0.2
69.03344	1.8
69.06989	0.4
70.06504	5.9
72.08066	100.0
73.08404	1.1
74.05976	0.4
81.03350	1.1
83.06013	0.9
84.04425	5.0
84.08069	2.7
84.95956	1.3
85.02823	5.2
86.09620	8.8
86.10099	0.4
87.05506	0.5
87.09974	1.2
92.10860	0.4
97.02823	2.3
98.06008	0.4
98.97520	6.3
98.98398	5.0
100.07537	0.4
101.07076	0.5
102.05482	2.0
108.08085	0.3
109.29686	0.2
110.07148	0.4
110.97480	1.9
112.07558	0.6
112.08713	0.2
116.07048	0.4
116.98572	6.0
116.99399	0.4
118.08604	0.6
119.01860	0.3
123.06776	0.3
125.07083	0.5
127.03889	1.0
128.98543	4.0
129.10191	1.5
130.04961	4.0
130.08615	1.3
133.01619	0.3
133.06062	1.0
134.99623	3.9
136.07536	0.6
137.07104	0.3
140.07068	0.3
140.98592	0.3
143.00151	2.6
145.04944	0.5
146.99623	4.9
147.07646	2.0
148.04007	0.3
148.06026	5.0
152.07030	0.3
152.98618	1.2
153.00694	0.3
157.09660	0.5
158.99583	1.9
161.01169	4.6
165.00679	0.9
166.04944	2.0
167.08087	0.5
170.99602	2.7
171.13403	0.4
171.14882	13.9
173.12820	1.7
176.03600	0.3
177.00671	2.9
179.02245	1.0
184.06003	0.5
185.09184	6.4
185.10715	0.3
185.16521	0.6
187.02734	0.4
187.14311	0.3
189.00627	1.6
195.01782	0.4
196.14529	0.3
199.14381	7.7
201.00719	0.4
201.04218	0.3
201.12239	0.5
204.05411	0.3
214.64676	0.3
217.15425	2.1
219.01755	2.9
237.02730	6.8
247.12860	2.3
251.29236	0.2
255.03987	1.1
277.05853	0.5
304.06995	4.4
305.07541	0.3
346.08002	2.5
346.14746	0.9
346.19409	0.6
362.60608	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81250	0.4
55.05451	8.7
56.04960	0.5
57.05765	0.5
60.04446	0.5
63.29739	0.5
65.97221	0.5
69.06991	2.0
70.02859	0.8
70.06498	5.1
72.08065	100.0
73.02836	1.1
73.08411	0.9
76.31052	0.5
82.06496	9.0
84.04427	0.9
84.08064	4.2
85.03944	2.6
86.09621	49.9
88.03366	0.8
88.03910	21.3
90.55642	0.6
94.06527	0.8
96.08044	6.0
98.02342	6.4
98.09628	0.7
98.11037	0.6
99.09154	5.3
100.03909	2.7
106.65520	0.5
110.02363	0.5
110.07114	2.2
113.10710	1.1
118.08637	0.6
120.08050	1.0
124.07548	6.0
125.66160	0.5
127.08628	25.0
128.07034	6.3
129.10219	1.2
130.08655	0.7
132.10168	4.9
137.05954	0.8
138.09117	2.4
141.10188	6.6
141.11026	0.4
142.08604	39.7
152.07057	1.0
156.10161	4.5
169.09653	6.1
170.08080	4.2
183.11304	1.2
183.16173	0.5
184.09685	1.0
187.10727	77.7
188.11043	0.7
201.12312	20.5
215.10211	17.5
215.12177	0.6
229.11775	5.6
237.02585	0.5
311.15717	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1973
Annotation	Val Leu Asp
Peak:m/z	Relative Intensity
53.93815	0.4
55.05455	9.6
56.05003	0.5
57.05741	0.8
72.08069	100.0
73.08389	0.6
74.05986	0.7
84.08084	0.5
84.24695	0.4
85.37830	0.5
86.09629	93.4
87.09975	0.7
92.10909	0.6
92.14872	0.4
106.96812	0.5
129.06580	0.5
136.12422	0.5
137.11322	0.5
138.48523	0.5
138.55927	0.5
161.42580	0.5
185.16452	22.7
202.80022	0.5
213.15967	13.2
231.09331	0.4
247.12898	6.1
257.39703	0.5
262.96170	0.4
267.51648	0.4
346.19516	0.7
356.13577	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	3.9
56.04966	1.4
56.96474	0.6
57.03388	0.6
60.04447	1.0
67.05403	0.7
67.77977	0.5
69.06987	18.8
70.02863	1.4
70.06141	0.8
70.06503	16.7
72.08068	43.1
73.03970	0.8
73.08404	3.1
74.02339	0.6
74.05967	0.6
76.21465	0.7
79.05387	0.7
82.06512	0.6
83.06038	0.6
84.04433	4.5
84.08070	14.5
85.02827	1.5
85.03944	3.5
85.08825	0.6
86.09624	100.0
87.05504	1.3
87.09949	3.3
88.03918	24.9
91.05405	5.3
95.01232	1.2
95.06027	1.1
96.08055	7.9
98.02337	4.8
100.03873	0.7
102.05497	1.2
107.04875	0.7
110.02362	1.3
110.03618	5.9
110.07082	5.7
110.09631	2.8
111.04372	1.5
113.10706	2.6
115.04976	0.9
116.07014	1.1
118.06461	2.4
118.08611	4.3
120.08068	5.3
121.06423	0.7
124.07565	1.0
125.05946	26.0
127.03856	0.8
127.08604	3.8
129.10176	9.8
130.46631	0.6
132.10077	0.7
133.06017	0.9
134.42209	0.6
136.06111	1.3
136.07567	2.8
138.09103	4.1
139.03871	6.6
141.10193	18.6
142.08614	4.4
153.05435	40.2
153.97482	0.6
154.06216	19.2
154.07385	1.2
155.03317	1.1
155.11713	1.4
156.04169	0.7
156.07639	0.8
156.10173	28.3
164.06995	0.9
166.08583	2.6
169.09677	0.9
170.05717	6.1
180.07576	0.7
181.08585	1.2
183.11206	6.5
184.09613	3.4
185.08055	43.6
186.12343	3.5
187.10680	2.5
187.12462	1.2
189.12790	0.6
201.12306	70.1
202.12619	0.7
215.10298	1.0
215.12233	0.8
220.12753	0.7
229.11801	12.1
231.17062	0.7
277.12491	0.7
323.23743	0.6
329.10953	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59594	0.5
55.05438	2.5
56.04975	13.7
56.96488	1.0
57.03352	1.2
58.06528	7.0
60.60735	0.6
61.02863	0.6
64.33839	0.6
67.05432	0.9
68.04953	0.6
68.74749	0.5
69.03350	1.5
69.06986	12.4
70.06509	13.1
72.04386	0.6
72.08071	8.3
73.03931	1.1
74.05991	40.7
79.05403	2.7
81.03347	1.1
81.06995	0.7
82.06497	1.0
83.08541	0.9
83.79413	0.6
84.04430	12.6
84.08070	13.2
85.02836	8.0
86.06002	1.0
86.09627	100.0
87.09957	0.7
88.03901	2.4
91.05380	2.7
97.02838	2.6
98.09611	2.7
98.97501	2.6
99.04372	0.7
101.07076	28.3
102.05444	1.1
103.05360	3.1
105.06989	1.4
106.67062	0.7
107.04897	24.7
107.08556	0.9
109.02842	0.8
109.10113	2.5
110.07118	4.5
110.09661	0.9
110.10408	0.9
115.08688	0.7
116.98572	2.4
119.01873	0.7
119.08538	1.3
120.08078	7.7
122.02645	1.0
122.09638	0.9
124.11198	4.7
126.09173	2.3
126.12762	2.9
127.03862	1.2
129.10222	5.4
131.04872	1.1
133.02794	2.8
133.10089	0.9
136.07552	1.5
137.05975	5.5
137.09616	2.6
138.06284	0.8
138.09976	0.9
142.12254	19.6
143.11768	8.6
149.09596	2.7
187.14380	78.4
190.95418	1.4
199.74944	0.7
203.03947	0.8
208.96393	1.3
215.13870	21.5
232.96365	1.0
237.02765	1.1
250.97623	0.7
275.06189	0.7
281.91190	0.6
292.58954	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05440	1.1
56.04972	13.9
56.96503	0.9
57.03363	1.3
58.06535	7.5
58.99492	0.8
64.63226	0.6
68.04911	0.9
68.05750	0.8
69.03353	0.9
69.06979	3.8
70.06505	10.9
72.08066	4.0
74.05985	44.2
76.02101	0.9
79.05415	0.9
81.06963	2.6
82.32838	0.6
84.04414	13.1
84.08051	5.8
85.02825	2.8
86.05978	5.2
86.09623	100.0
87.05517	1.7
91.05403	11.1
93.06972	0.8
95.04906	1.3
95.08538	1.3
98.09605	2.7
100.07544	1.6
101.07072	28.0
102.05497	1.5
103.05403	3.3
104.05781	1.1
105.06956	6.6
107.04879	0.8
109.06425	2.8
110.07126	3.2
115.05370	0.9
116.07062	1.1
119.08541	0.8
120.08047	1.7
122.02636	2.9
122.03564	3.2
123.03883	0.9
124.11167	2.8
126.09111	1.6
126.12737	4.5
129.10167	3.3
130.06445	0.9
131.04897	1.6
131.08493	1.4
132.05240	1.1
132.10124	1.3
133.06454	2.8
133.10115	4.4
134.06821	1.4
135.08060	1.3
137.05948	29.9
137.09599	1.2
138.06276	13.2
138.09908	1.1
142.12248	16.5
143.11760	7.7
145.10109	0.9
147.07986	1.1
151.07518	4.7
159.09109	0.9
163.07515	1.6
164.07895	1.2
165.09090	1.3
169.13301	1.3
170.05919	0.9
175.07547	1.2
179.10606	1.4
187.14374	79.3
189.09128	1.0
190.09491	0.8
190.95363	1.2
199.10678	0.7
215.11836	1.1
215.13852	24.1
245.18529	1.4
343.49869	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52704	0.2
55.05434	0.4
56.04953	0.4
58.06523	0.3
60.04449	0.2
66.67883	0.2
68.87955	0.2
69.06985	6.0
70.06503	3.4
72.08060	4.2
74.05999	1.5
84.04430	1.0
84.08054	1.7
84.56458	0.2
85.02842	0.4
86.09620	100.0
87.09969	0.3
91.05432	0.2
92.10315	0.4
92.10847	0.5
95.40461	0.2
96.48148	0.2
98.12898	0.2
102.05499	0.3
110.07112	1.4
110.85564	0.2
114.09124	0.4
116.07039	0.4
120.06531	1.2
120.08105	0.2
129.10219	0.4
129.73703	0.2
130.04968	1.0
133.90475	0.2
137.05969	0.9
138.06313	0.4
147.04399	0.2
147.49753	0.2
153.06964	0.5
167.08514	1.1
171.08078	0.2
171.18466	0.2
177.06937	0.4
178.07710	0.4
179.08511	0.5
181.06409	0.2
183.08020	0.3
185.07802	0.2
190.95253	0.2
191.08560	1.6
193.10234	0.3
194.07109	0.3
195.07976	2.7
199.07469	0.4
199.18001	10.9
207.08040	0.4
208.08719	0.3
209.09630	0.3
215.13824	1.8
219.08034	2.8
223.07445	0.4
227.17485	7.6
233.14890	2.2
237.09093	1.6
238.12386	0.3
240.10030	0.2
241.08527	0.5
254.11784	1.7
269.08008	0.4
283.09659	1.3
287.09158	1.0
300.12228	3.5
301.12497	3.9
328.22192	2.1
329.10291	0.3
346.12787	0.9
347.13028	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	346.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33051	1.5
55.01799	9.9
55.05451	26.2
56.96488	7.3
57.03368	8.4
57.07016	3.6
67.05074	2.8
67.05425	70.9
69.03339	2.2
69.06985	28.8
71.04900	4.4
76.42045	1.8
79.05407	49.1
81.03343	2.7
81.06973	100.0
83.04883	11.8
83.08531	18.3
85.06468	4.3
91.05399	38.1
93.06967	64.7
95.04897	13.4
95.08534	34.3
97.02837	2.3
97.06441	12.9
97.10074	3.5
98.97521	2.8
99.08018	2.8
103.05437	2.2
103.64910	1.6
105.06977	31.0
107.04883	3.3
107.08536	38.7
108.43024	2.0
109.06439	7.0
109.10119	12.9
111.04399	2.1
111.08046	7.0
116.98555	7.0
117.06968	10.1
119.08533	18.6
121.06407	2.2
121.10068	19.0
123.08016	3.5
123.11643	2.3
125.09561	3.6
129.06940	4.0
130.07822	1.7
131.08534	18.7
133.06482	2.5
133.10098	24.5
134.99590	2.9
135.07970	2.4
135.11679	13.1
137.05937	2.1
142.07553	2.1
143.08641	2.1
145.10091	9.2
147.08018	4.1
147.11646	10.0
149.09563	8.7
149.13232	23.2
151.11168	2.2
155.08481	2.2
157.10049	7.1
158.07245	2.2
159.11673	9.6
161.01160	2.1
161.05923	1.8
161.13274	2.2
163.11111	2.0
170.07224	2.3
171.08054	12.5
171.11639	2.8
173.13173	2.1
175.11159	2.3
177.12694	4.2
178.06180	2.8
183.11549	3.2
184.08795	2.9
185.09645	21.1
187.11214	2.8
190.95377	2.4
195.13782	30.5
197.09578	2.1
199.11153	27.1
200.11836	2.2
201.12819	1.8
211.11101	18.7
213.14763	11.5
231.10078	14.1
232.96483	2.1
237.02701	2.6
239.17767	2.8
241.15761	2.6
257.18884	6.8
275.19986	43.3
293.21051	15.4
315.20050	1.9
346.23569	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	346.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52105	1.6
53.03880	3.1
55.01802	4.9
55.05232	2.6
55.05451	45.9
57.03368	5.0
57.12339	1.5
66.17263	1.7
67.05076	3.7
67.05424	100.0
69.03352	2.6
69.06986	41.0
71.04895	8.5
75.01463	1.8
79.05401	57.5
81.06969	98.2
83.04897	9.7
83.08527	33.8
85.06451	3.5
91.05400	37.8
92.39166	2.3
93.06960	53.0
95.04886	9.9
95.08530	41.0
97.06453	12.5
97.10103	28.2
99.08033	2.6
105.06966	32.9
107.04859	4.8
107.08530	47.7
109.06432	8.8
109.10105	48.9
111.08042	9.2
113.09550	2.4
117.06967	11.1
119.08551	25.1
121.06451	3.5
121.10083	14.0
123.11652	3.9
125.09605	17.1
131.08539	12.6
133.10094	28.8
133.27971	2.0
135.08023	3.7
135.11662	11.8
137.09602	4.6
145.10072	8.2
147.11646	11.6
149.09563	10.9
149.13223	16.9
151.11084	2.2
159.11650	12.4
161.13268	2.9
171.11641	2.1
173.11723	29.9
177.12691	4.0
189.11203	4.6
195.13760	27.4
201.16068	2.0
213.14708	18.3
228.62790	2.0
257.18887	3.6
275.20023	50.6
286.23929	2.3
293.20987	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	346.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10974	0.6
54.53825	0.5
55.05439	0.7
57.06770	0.8
57.07018	15.2
58.06518	2.9
59.42495	0.7
61.23464	0.7
61.30713	0.7
70.06137	1.3
70.06510	33.8
71.08543	4.6
83.17516	0.6
85.10108	1.1
88.07554	34.9
90.05766	0.6
102.09113	20.8
105.43810	0.7
146.11839	1.0
240.26642	1.0
266.28952	0.8
284.29428	66.8
328.32001	4.5
346.33096	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81433	2.4
56.04974	21.0
57.07005	15.8
58.06535	12.3
68.52270	2.8
71.05669	2.6
71.08539	6.4
74.05988	16.9
74.06362	2.8
76.00407	2.2
88.07546	86.9
89.87688	2.7
90.13226	2.5
105.07036	3.4
106.39156	2.7
118.08583	13.9
122.08103	3.5
141.71065	3.0
194.69873	3.1
298.31018	53.4
322.28513	2.9
346.33075	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05456	4.9
56.04979	6.3
56.96498	8.8
60.04469	1.6
61.01084	1.5
69.03340	1.9
69.06978	8.5
70.06510	24.7
72.08074	22.2
73.08395	2.0
74.06004	1.6
74.72653	1.1
80.47834	1.1
82.64500	1.2
83.06023	2.0
84.04424	15.4
84.08063	31.3
85.02824	9.1
86.09633	20.0
87.84263	1.1
91.05422	2.3
95.04914	1.5
95.06020	2.2
95.08488	1.5
97.02821	1.3
98.97516	78.5
102.05501	1.9
110.07109	14.7
110.09621	2.1
110.97498	1.4
116.07062	6.4
116.98570	100.0
119.08522	1.5
120.08060	9.6
124.03864	1.4
125.05962	2.4
128.98581	1.7
129.10188	12.3
130.08549	1.7
134.98598	2.9
134.99628	86.7
137.05945	1.8
146.99629	1.6
147.44981	1.3
152.08180	2.4
153.00703	20.5
155.11818	1.6
158.01192	1.4
158.99635	26.8
167.07045	1.5
177.00673	91.7
185.07642	1.4
195.01770	11.8
200.02325	1.6
203.05232	2.8
219.01714	14.7
237.02745	12.1
238.53435	1.2
263.06314	1.4
279.03839	6.7
285.13141	4.8
301.12537	8.5
305.09018	2.9
329.11285	1.3
347.09509	1.7
347.13342	14.3
347.16937	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.131
Annotation	Nordercitin
Peak:m/z	Relative Intensity
50.53016	0.4
54.06343	0.4
55.05452	1.9
56.04963	1.8
56.96491	0.6
69.03340	1.9
69.06983	6.2
70.06504	9.1
70.07326	0.5
71.44729	0.5
72.08068	9.8
74.05988	2.0
76.73203	0.4
81.03335	0.6
82.22773	0.4
84.04422	4.1
84.08058	6.7
85.02837	2.8
86.09625	100.0
87.09423	0.8
87.09953	10.5
91.05421	0.8
92.10352	1.3
92.44063	0.4
97.02795	0.7
98.97524	0.6
102.05522	0.5
107.04904	0.4
108.89447	0.4
110.07088	3.6
116.07030	0.9
116.98556	0.4
120.06509	0.7
120.08068	1.0
121.06414	0.5
123.04387	0.6
129.10194	3.3
130.04926	0.6
136.06154	0.9
137.05966	1.8
146.67038	0.4
150.06804	0.6
167.06805	0.8
178.07274	0.4
185.04260	0.6
185.07819	5.1
195.07962	0.9
196.08424	0.9
199.17996	8.6
200.18422	2.2
203.05258	3.4
215.13901	1.1
220.08380	0.7
227.17453	5.3
228.17946	2.2
233.14937	1.0
238.09586	0.5
281.72403	0.5
285.13086	1.9
290.01505	0.5
300.12363	0.7
301.12506	38.8
328.22311	1.8
329.22266	0.5
347.13055	48.5
348.13321	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1333
Annotation	Koaburside
Peak:m/z	Relative Intensity
54.45551	0.4
54.82005	0.5
55.05442	2.3
56.04972	5.7
60.04444	0.9
60.05571	0.7
61.01079	3.1
61.02824	0.4
61.72514	0.4
66.12708	0.4
66.89587	0.4
67.05391	0.5
68.04903	0.5
68.99704	0.6
69.03333	1.0
69.06986	3.4
70.02864	0.6
70.06506	10.8
71.06824	0.5
72.08066	15.0
73.08396	1.0
74.05988	0.7
75.04391	0.9
81.03339	1.7
82.04122	0.7
83.06078	0.4
83.18015	0.4
84.04423	3.2
84.08067	19.8
84.08591	0.6
85.02818	3.7
86.09621	20.5
87.09959	2.7
88.03912	4.7
91.05395	0.8
93.03350	0.4
95.01231	3.7
95.04893	0.9
96.08060	1.7
97.02824	0.9
98.02333	1.0
98.05949	0.5
103.05422	0.6
104.05248	2.4
107.04919	0.4
109.02754	0.5
110.03611	16.5
110.07102	3.3
110.09641	0.5
111.04397	3.8
116.07039	0.8
120.08049	2.0
122.23829	0.4
123.04372	2.2
125.05943	67.8
127.03851	3.8
127.08615	0.6
129.10182	8.4
132.10139	0.8
136.07529	1.7
138.03044	0.5
138.55736	0.4
139.03870	13.9
140.85234	0.4
141.10223	1.8
142.08691	1.4
146.06038	0.9
153.05434	99.4
154.06216	38.5
154.31183	0.4
155.03346	3.0
155.06987	1.0
156.04117	0.7
156.10158	2.5
157.08595	0.6
158.05882	0.6
170.05682	12.2
178.06174	0.6
182.05711	0.5
183.11301	0.5
185.08044	100.0
186.08389	0.8
187.10747	1.1
188.11092	0.8
201.12334	6.5
202.12642	3.1
229.11847	0.7
230.12109	0.7
302.98419	0.5
321.22830	0.5
329.11050	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1488
Annotation	CHEMBL1668115
Peak:m/z	Relative Intensity
53.03881	2.7
55.01805	2.3
55.05448	3.3
56.04969	3.2
56.96500	3.2
57.03363	1.7
58.99503	1.7
63.29185	1.1
67.05418	8.3
68.99708	1.9
69.03346	6.5
69.06982	6.0
70.06507	17.1
71.04909	2.0
72.08064	8.8
74.05997	12.8
74.46795	1.3
75.34467	1.4
76.02137	5.5
79.05407	7.0
81.03331	3.0
81.06977	3.2
84.04433	6.2
84.08073	20.9
85.02829	2.2
86.09629	63.4
86.84959	1.4
86.98973	2.2
87.09969	5.7
88.03927	1.5
91.05408	27.8
93.06969	2.7
94.04109	3.3
95.04886	8.4
95.08536	5.4
97.02832	2.8
97.06473	2.1
98.97503	5.8
103.05376	3.4
104.99990	1.5
105.06982	20.9
106.07301	6.5
107.04897	2.8
109.06451	6.4
109.10106	7.0
110.07100	10.3
110.10425	1.7
115.05405	7.7
116.98568	2.7
117.06950	8.6
119.04896	10.9
119.08527	7.3
120.08059	7.4
120.08858	1.6
120.35099	1.4
121.02759	1.4
121.06454	13.6
122.02685	10.2
122.03598	10.5
123.04404	2.4
123.08008	3.0
129.06946	5.0
129.10207	9.2
130.06496	2.1
131.04903	8.1
132.08034	2.1
133.02821	5.4
133.06395	4.9
133.10121	13.0
134.03613	1.6
134.10416	7.8
134.99644	2.3
135.04385	6.2
135.08028	2.1
136.07556	2.1
137.05956	100.0
137.09578	9.5
138.02997	1.7
138.06297	6.0
138.09921	1.7
142.12302	2.5
145.06465	18.4
146.60249	1.6
146.99666	2.2
147.04385	13.6
147.08026	1.6
149.05931	9.3
150.06709	6.4
151.03893	6.8
151.07539	18.3
153.05452	11.6
153.06927	8.8
155.05972	2.3
155.08472	2.6
159.04398	2.3
161.05962	5.8
161.09540	1.7
162.09895	2.6
163.03944	2.2
163.07492	3.0
163.11185	3.1
164.11554	2.1
165.05458	2.2
165.06966	7.6
166.07732	1.6
166.09584	1.5
167.06972	7.1
167.08318	1.8
169.06436	2.2
170.07211	1.5
173.05974	15.2
174.06538	2.1
175.07469	3.0
177.00670	1.4
177.05489	3.1
177.08983	1.6
179.06961	7.3
179.10635	1.7
180.05598	2.2
180.11053	2.0
181.06451	16.7
182.07196	2.3
183.08014	9.6
185.05891	2.3
187.07588	1.8
187.14445	6.5
189.09102	6.2
190.06152	2.2
191.08629	2.5
193.04936	2.1
193.06496	1.8
194.07149	2.1
195.07990	2.4
197.05960	6.9
198.06674	8.3
199.07501	2.5
205.08620	8.6
208.08769	1.6
209.05949	8.9
209.09523	5.5
210.06674	5.3
211.07489	15.9
212.04733	2.4
212.08279	2.1
213.05429	8.7
213.09004	5.2
215.13879	3.1
219.07964	3.1
221.06006	1.7
222.06799	1.5
223.07597	1.5
225.05426	5.2
225.09041	5.5
226.06264	12.9
227.07036	8.4
228.07860	1.9
233.14818	2.6
236.08356	2.2
237.02797	2.7
237.05402	5.9
237.09003	12.3
239.07092	12.2
240.07718	3.3
241.04768	2.5
241.08640	10.8
243.06519	5.9
243.10094	10.7
245.07994	2.5
253.08644	3.3
254.05666	12.0
255.06483	6.1
256.07364	2.7
265.08597	3.0
269.08160	17.1
269.11667	22.1
271.06067	3.1
271.09622	13.1
273.11160	2.2
285.07523	8.6
286.08444	2.5
288.09723	2.4
297.11139	7.3
299.09030	3.3
301.10660	33.5
303.12259	28.4
329.13757	19.0
347.10837	1.9
347.14801	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1849
Annotation	CHEBI:67672
Peak:m/z	Relative Intensity
54.81554	6.5
55.01797	10.7
55.05453	12.7
56.96505	38.1
57.06989	8.0
59.12683	6.5
64.72384	7.5
67.05428	12.3
69.06976	7.8
73.13929	8.1
79.05411	13.6
85.04998	7.2
88.06255	7.5
89.20609	7.5
91.05399	14.1
95.08528	10.3
98.97538	7.9
101.81316	8.4
103.82748	7.6
104.12123	8.8
105.06977	94.2
115.05367	10.8
119.93609	7.4
121.06455	100.0
131.08495	15.0
133.06442	12.7
147.08011	12.1
157.10086	17.0
159.07922	13.2
163.03857	10.4
173.09552	48.2
174.10315	14.6
178.06081	8.3
213.12674	8.8
301.17908	13.2
347.18454	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	347.185
Annotation	Hanagokenol B
Peak:m/z	Relative Intensity
53.03897	2.0
55.01804	4.4
55.05443	16.8
56.96500	3.5
57.03374	3.5
60.52551	1.8
67.05421	33.6
68.05733	3.1
69.03349	4.7
69.06985	16.2
71.04905	3.6
79.05403	27.5
81.06499	3.5
81.06969	50.5
82.07299	9.4
83.04907	2.5
83.08520	5.3
85.06516	3.0
91.05405	17.3
92.83045	2.3
93.06965	27.1
94.07323	2.8
95.04885	4.8
95.08537	15.6
97.06441	4.9
103.05387	3.8
105.06956	21.9
107.04876	3.8
107.08518	15.5
108.08958	2.6
109.06447	2.6
109.10098	5.0
115.05406	3.8
117.06935	5.2
119.08567	16.0
121.06441	2.8
121.10071	9.7
122.10460	3.1
123.08001	2.6
128.06158	2.1
129.06946	4.3
131.08527	12.4
132.08939	2.5
133.06436	3.0
133.10123	10.3
134.10431	3.2
135.11682	2.9
137.06044	2.6
137.19821	2.3
141.06927	2.2
142.07840	2.8
143.08545	5.3
145.06439	4.1
145.10103	4.1
147.08034	31.9
147.11641	3.6
149.09564	2.7
149.13231	9.1
155.08519	2.7
157.06419	2.6
157.10104	8.6
158.07228	3.1
159.08052	8.9
159.11667	8.3
160.12079	2.5
163.03825	2.8
165.08989	2.6
167.08490	4.1
170.07220	4.7
171.07999	58.3
171.11571	2.8
173.09573	12.2
178.06177	4.1
184.08804	24.2
185.09561	74.4
186.10310	2.4
187.11159	9.2
189.09087	17.5
195.07846	2.4
195.13786	10.5
196.08774	3.5
196.14035	3.9
197.09615	9.6
198.10365	3.3
199.11140	100.0
200.11891	13.8
201.12682	3.6
211.11134	67.7
211.13014	3.9
213.09166	4.6
213.12701	8.7
213.14731	6.1
214.15240	2.7
231.10104	61.7
241.15785	13.8
257.11639	11.2
259.13098	2.6
269.15146	2.7
275.20068	13.9
276.20325	10.5
284.44913	3.1
287.16333	11.4
301.17914	11.5
311.16537	2.8
326.34821	2.5
329.17450	4.4
347.14819	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01813	2.0
55.05439	5.7
56.04967	6.4
56.96496	4.2
57.03360	3.9
58.06526	0.9
59.04913	1.0
60.04167	2.0
60.04454	38.4
61.02856	1.3
69.03343	10.1
69.06988	3.4
70.02869	0.9
70.06504	63.2
71.01234	1.1
72.08066	62.1
73.02820	0.9
73.07757	0.9
73.08405	7.5
73.08746	0.8
74.05981	11.4
77.88728	0.7
81.03294	1.2
83.06019	10.2
84.04425	71.0
84.08067	13.0
85.02820	24.8
86.09621	100.0
87.04383	1.5
87.05520	15.7
87.09969	1.1
88.03920	1.7
91.03876	1.2
95.06032	0.9
97.02813	8.1
98.05973	4.6
98.97507	4.9
98.98400	1.7
101.07073	11.6
102.05482	6.0
106.04964	3.5
108.08055	1.0
109.02809	1.9
110.07110	9.1
112.07542	4.3
116.07009	1.5
116.98576	3.9
118.08602	2.1
119.01828	1.6
120.08051	1.4
123.04361	5.6
125.06225	1.0
125.07079	8.4
127.03860	4.1
128.10640	10.9
128.98549	2.1
129.00835	0.9
129.10197	5.8
130.04965	66.3
130.08611	1.3
134.99669	3.5
135.72389	0.9
136.06154	53.4
137.07051	3.6
139.08601	4.9
140.06981	6.0
142.99998	1.1
146.99635	4.2
147.07610	53.3
151.03870	1.2
157.09689	10.5
158.99622	1.3
161.01218	3.4
161.02829	2.1
167.08195	6.0
171.14902	1.2
173.12817	42.3
175.04602	1.2
177.00682	3.3
184.10779	1.6
185.09167	72.2
186.09531	0.9
187.14322	7.1
189.00601	1.8
197.12868	1.9
201.12312	5.9
215.13831	2.0
217.15407	2.0
219.01692	1.6
219.13458	1.0
237.02730	3.6
238.03094	1.9
304.06873	1.1
305.07245	1.2
329.18121	4.1
347.08850	1.3
347.19119	3.7
348.06885	1.7
366.58749	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	9.5
57.07005	13.3
63.51254	2.3
67.05414	3.6
69.06982	9.3
70.06505	14.8
71.06818	2.0
71.09859	2.4
74.77689	2.2
78.06018	2.4
79.05399	14.2
81.06980	5.5
83.08526	4.2
88.07559	24.1
91.05393	11.0
93.06956	15.9
95.04861	2.8
95.08524	9.2
102.09123	4.4
105.06985	28.0
107.08533	24.3
109.06518	2.8
109.10080	4.2
114.09084	3.0
117.06944	5.5
119.08544	62.5
121.06435	2.7
121.10107	21.9
123.08016	4.5
125.09585	4.4
131.08511	19.5
132.10201	11.4
133.06436	3.8
133.10098	20.1
135.08066	10.8
137.05949	5.4
137.09557	2.7
143.08559	5.7
145.10094	12.7
147.08017	5.7
147.11633	4.2
149.09581	15.7
150.11240	10.9
157.10136	13.7
159.07991	3.7
159.11655	5.7
161.09592	11.8
163.11073	2.7
167.10625	2.9
169.10016	3.2
171.11633	12.3
172.95145	3.6
173.13155	5.3
178.06187	2.5
179.10637	10.4
183.11673	3.0
185.13278	3.4
191.10643	3.8
193.12227	9.6
195.11566	7.0
227.17972	3.4
228.97644	2.8
237.16304	3.3
255.17372	10.2
269.19034	4.7
273.18445	4.5
279.17392	3.5
284.29422	11.6
287.19861	3.3
297.18405	13.0
303.30768	2.6
315.19492	15.1
329.20932	4.8
346.33115	49.0
347.21899	100.0
347.33456	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	348.0701
Annotation	Adenosine 3'-monophosphate
Peak:m/z	Relative Intensity
50.26683	0.2
54.81649	0.2
56.04972	0.8
57.03363	1.0
58.30327	0.2
60.04445	1.7
60.44033	0.2
61.02838	0.2
66.11027	0.2
68.90603	0.2
69.03345	1.3
69.06966	0.9
70.06524	0.4
70.98351	0.2
72.08072	2.2
73.02847	0.3
73.08405	0.4
73.51829	0.2
74.05991	0.8
75.66348	0.2
78.68427	0.2
83.06017	1.1
84.04426	5.5
84.08063	0.9
85.02341	0.4
85.02828	8.6
86.09624	9.4
87.05520	0.3
94.03983	0.3
97.02820	2.9
98.05916	0.2
98.97512	0.2
98.97775	0.2
98.98389	3.0
101.07080	0.5
102.05470	1.2
106.04975	1.2
110.07151	0.2
110.45320	0.2
119.03517	1.2
123.04382	2.6
128.10728	0.3
129.06529	0.4
129.10123	0.3
130.04977	1.8
136.06157	100.0
136.99969	0.9
137.04568	1.9
142.12259	0.3
147.07611	1.1
151.03851	0.5
164.99452	3.2
166.04970	0.3
169.04999	0.4
170.11729	0.2
173.12851	0.9
174.13104	0.2
176.08215	0.4
181.98984	0.2
185.09224	0.2
187.14369	1.3
188.08128	0.7
197.12982	1.6
203.09229	0.5
213.01582	0.4
214.06015	0.3
215.13892	1.6
235.09120	0.2
303.10941	0.5
348.06894	5.0
348.13077	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.07
Annotation	Adenosine 3'-monophosphate
Peak:m/z	Relative Intensity
53.23412	0.1
55.05433	0.2
56.04960	0.7
56.96474	0.1
57.03360	0.7
57.65848	0.1
58.06542	0.2
60.04451	1.9
61.91352	0.1
65.12102	0.2
69.03064	0.1
69.03354	1.9
69.06973	1.1
70.06494	0.8
72.08066	2.3
73.08404	0.3
74.05982	1.4
83.06019	1.2
84.04418	6.6
84.08070	1.0
85.02824	9.2
86.09621	12.1
87.05504	0.4
89.43433	0.2
91.03983	0.1
94.03962	0.4
97.02821	3.1
98.97483	0.3
98.98392	3.2
101.07073	0.8
102.05482	1.4
106.04966	1.9
108.57426	0.2
119.03474	1.4
120.08069	0.2
123.04382	1.7
126.05437	0.2
127.03826	0.2
128.10649	0.2
129.06572	1.2
130.04944	2.3
136.06152	100.0
136.99962	0.3
137.04591	1.4
137.06523	0.7
147.07596	1.2
148.03900	0.3
148.06021	0.3
151.03891	0.3
164.99435	2.8
166.04861	0.3
167.05334	0.7
167.06856	0.2
169.04953	0.2
170.11670	0.4
173.12820	1.2
176.08154	0.7
184.95728	0.2
185.09154	0.8
187.14365	1.0
188.08136	0.9
196.14465	0.4
197.12767	1.6
201.12299	0.2
214.06050	0.4
215.13817	1.8
225.12323	0.2
254.64951	0.2
303.10724	0.7
348.06927	4.8
348.12857	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03864	2.6
55.01815	2.9
55.05424	2.2
56.04969	17.5
56.96504	1.7
57.03371	6.2
60.04454	21.9
60.05568	7.7
61.01077	9.6
61.01325	1.0
61.02839	8.9
63.00659	1.2
65.03573	1.5
65.03864	24.4
67.05405	1.6
69.03346	15.2
69.06990	24.5
70.02879	1.5
70.06142	1.7
70.06505	36.6
71.04890	2.3
72.08070	17.0
73.02808	2.7
73.08369	1.8
74.05982	10.8
81.03318	6.6
83.04913	5.6
83.06013	2.5
84.04441	12.9
84.08047	8.9
85.02341	2.1
85.02827	45.9
86.09621	100.0
87.05517	5.7
87.09957	8.1
88.03918	16.0
91.03852	1.5
93.03333	16.4
95.04868	1.4
96.08055	5.5
97.02827	15.5
97.07575	1.6
98.02348	3.0
98.05966	7.1
98.97469	1.7
101.05950	2.9
101.07095	2.2
102.05467	5.8
104.05247	22.9
105.06557	6.9
109.02827	4.8
110.02353	1.5
110.03615	10.0
110.07108	6.9
110.09650	1.9
111.04384	86.3
112.08671	4.6
113.10725	2.0
114.10233	2.7
115.08614	1.5
116.07018	8.7
120.06507	1.7
120.08052	1.9
125.05007	1.7
125.05937	46.8
126.05415	1.3
127.03844	5.4
129.06532	1.8
129.10173	6.2
130.04930	2.5
130.09680	1.4
134.99619	1.5
136.06160	26.7
138.09100	3.0
140.04642	1.4
140.07011	15.9
140.07985	1.6
141.10210	9.7
142.08670	1.6
145.04895	5.9
146.06316	9.4
151.03865	29.6
151.04967	1.9
155.11684	2.1
156.10176	15.6
158.09204	5.9
160.20505	1.3
168.06499	16.7
169.03470	2.6
169.04922	75.7
173.12839	6.1
174.05704	1.7
175.11848	11.6
180.76656	1.2
182.08040	2.4
183.11224	5.9
184.09654	1.3
186.07677	1.6
187.14410	1.5
199.05855	1.3
200.13921	6.9
201.12300	35.5
210.07573	1.7
216.09740	1.9
228.13416	1.9
229.11726	6.1
237.02699	1.5
251.94655	1.2
276.07532	1.4
330.16434	2.1
348.16913	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	348.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48459	3.0
53.03888	2.5
53.87520	2.8
55.01797	2.8
55.05455	4.0
56.96492	4.3
57.03365	6.2
60.04438	13.9
61.02856	5.7
61.90894	2.6
69.03333	21.9
70.06506	26.5
72.08075	26.0
73.02824	100.0
74.06000	4.9
81.03329	5.7
84.04424	14.2
84.08073	25.3
85.02818	16.3
86.09602	24.4
95.04874	16.0
96.04393	4.3
97.02821	14.8
102.05474	7.5
109.95132	3.2
110.07092	15.5
115.03918	7.1
116.98529	5.0
122.82146	3.3
123.04375	15.3
126.05479	3.7
129.10226	6.8
130.15314	3.5
136.06160	29.8
140.04657	94.5
150.07594	5.6
151.03897	13.7
155.06967	32.1
181.04878	7.5
189.08624	4.5
199.05969	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08588	0.7
53.03881	0.6
55.05451	8.5
56.04953	1.2
56.96500	2.7
57.03388	0.7
59.74747	0.6
60.04458	8.4
67.05428	3.9
68.04945	14.0
69.03342	2.8
69.06990	3.7
70.06509	3.2
70.76177	0.7
72.08067	1.6
79.05409	4.3
80.04929	26.4
81.04456	1.8
81.06973	4.6
82.06487	0.9
83.06030	5.8
83.08531	3.4
84.08048	1.3
85.02826	2.9
86.09616	1.5
91.05387	2.7
92.04904	0.7
92.10851	1.4
93.06966	3.2
94.06489	20.4
95.06013	100.0
95.08523	3.5
97.02827	1.2
98.97525	3.3
100.11169	7.9
103.05402	1.2
105.06980	1.5
106.06493	2.9
107.08522	1.5
108.08094	1.1
109.06539	0.9
109.10123	0.9
110.06015	1.5
110.07134	1.3
116.98579	1.6
117.06891	0.8
118.06461	1.1
119.08475	0.8
120.08062	4.6
121.10157	0.9
130.06488	1.2
131.08510	1.0
132.08060	1.7
133.06375	0.7
133.10016	1.1
134.09630	1.0
134.99620	1.5
135.08052	0.9
136.06172	1.5
137.05919	7.3
146.09573	0.9
147.11736	0.9
152.92017	0.8
157.10107	1.5
158.99617	0.8
161.09401	0.7
162.10249	7.4
171.06334	1.4
172.08672	1.2
173.11920	0.9
174.10228	33.7
174.12743	4.4
176.14334	3.5
177.00639	1.4
182.15315	1.6
186.12772	6.9
188.11772	0.8
192.13759	3.7
204.13824	2.8
210.14905	4.0
222.14929	1.0
242.15089	0.9
258.19702	0.9
260.16312	1.5
268.18033	17.4
284.17578	0.9
286.19049	24.5
302.18619	0.9
304.20114	43.7
330.17480	1.0
348.19095	20.4
348.27039	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66100	1.6
55.01812	4.1
55.05449	41.7
56.96521	2.0
57.03366	13.1
59.04933	4.4
67.05427	100.0
69.03354	4.2
69.06982	18.8
69.64474	2.1
71.04913	4.8
71.08556	16.1
79.05404	24.8
81.03324	2.6
81.06978	74.9
83.04885	5.3
83.08535	27.5
85.06467	2.8
85.62944	2.0
91.05399	15.9
93.06970	45.4
95.04884	2.7
95.08524	32.2
97.06488	3.9
97.10101	23.2
99.08019	5.0
100.06254	2.2
104.15816	1.9
105.06972	10.7
107.08538	26.2
109.06477	3.5
109.10104	63.1
111.08002	3.6
117.06941	4.8
119.08537	15.9
121.10096	5.2
123.11652	3.8
125.09591	12.4
131.08545	4.6
133.10138	5.1
135.11668	9.9
137.09641	3.1
149.13249	19.8
151.11186	3.1
155.10629	9.9
159.11690	10.5
161.13197	2.8
165.12759	4.2
165.95439	2.3
173.11703	54.6
177.12680	4.2
179.14296	2.5
189.11206	3.3
195.13805	22.8
213.14902	18.7
277.21506	23.3
282.60318	2.5
295.22614	16.6
303.11185	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	348.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01801	9.6
55.05450	30.6
55.43686	1.7
56.96486	10.4
57.03362	4.3
57.07006	3.5
61.70197	1.9
67.05428	63.2
69.06987	27.0
71.04909	4.3
71.08546	7.5
76.55930	1.9
79.05406	37.6
81.03340	3.8
81.06508	3.8
81.06974	100.0
81.07449	3.7
83.04900	10.8
83.08535	24.9
85.06457	3.8
91.05415	21.2
93.06973	63.9
95.04896	9.1
95.08535	27.6
96.08791	1.7
97.06443	12.2
99.08028	3.9
103.52195	1.6
105.06944	18.1
107.08543	38.1
109.10118	3.4
111.08033	14.1
113.02828	2.1
117.06964	8.9
118.12332	1.7
119.08537	7.4
121.10086	17.9
123.00245	1.9
123.11707	2.4
131.08559	10.0
133.10098	16.0
135.11638	14.5
136.06140	3.2
147.11618	2.6
149.13239	30.1
151.11166	2.1
159.11665	18.2
163.11230	1.8
165.12733	3.3
177.12704	10.5
195.13756	53.3
211.52931	1.8
213.14861	29.9
277.21555	8.4
284.12732	3.2
295.22577	10.4
349.19852	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	349.1986
Annotation	19(R)-hydroxy-PGB2
Peak:m/z	Relative Intensity
50.78582	1.8
56.96507	4.0
57.53538	1.7
63.82915	1.8
67.05417	2.6
72.77746	2.0
77.97794	2.1
81.06948	2.3
93.06951	5.0
105.06958	12.5
107.08500	2.6
116.68990	2.4
145.10005	2.3
151.98384	2.1
220.69829	2.9
312.61533	2.5
349.19769	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2005
Annotation	Gibberellin A14
Peak:m/z	Relative Intensity
51.53288	0.6
53.03885	0.5
55.05436	2.4
56.96491	0.6
57.03359	0.6
57.06994	3.7
59.04934	0.8
61.20308	0.5
67.05431	4.7
69.06967	3.8
71.04906	7.0
79.05418	1.0
79.62180	0.6
81.06948	3.7
83.04848	0.5
83.08526	2.2
84.46865	0.7
91.05405	4.3
93.06983	5.8
95.04884	3.1
95.08517	4.0
97.06451	1.1
97.10110	0.8
98.97525	0.6
105.06970	26.5
107.08545	4.8
109.06471	2.3
109.10081	3.5
111.08050	0.8
113.05933	2.9
116.98545	0.8
117.06921	1.3
119.08521	8.9
121.05698	0.7
121.06450	19.8
121.10066	3.3
123.08023	2.4
123.11637	1.0
129.06955	1.1
131.08525	100.0
132.08820	1.2
133.10078	4.1
134.99644	0.7
135.08006	1.3
135.11618	0.9
137.09621	0.8
141.54590	0.7
142.07707	1.2
143.08554	5.9
145.09003	0.9
145.10104	22.9
147.08018	8.3
147.11641	6.2
155.08527	4.1
156.09363	0.8
157.10081	19.8
159.08028	8.0
159.11673	10.4
161.09573	3.8
169.10091	4.9
171.11603	3.2
173.09610	4.8
173.13242	4.0
174.71121	0.6
175.11168	1.2
183.11620	7.0
184.12447	0.6
185.13179	3.2
187.11130	3.6
189.12732	3.1
191.10597	1.1
197.13167	2.9
199.14760	3.2
201.12753	8.8
201.16342	43.5
202.16708	0.9
203.14297	0.7
211.11061	1.3
215.14154	0.7
215.17773	1.2
217.12140	1.0
225.12677	1.2
225.16353	4.1
233.11588	0.7
239.17932	2.1
243.17349	13.9
253.15808	0.8
257.18958	2.2
261.18399	2.5
267.17276	2.8
271.16776	2.5
275.20010	1.0
285.18445	6.7
303.19467	32.5
313.17850	3.8
331.18884	3.5
349.16092	0.9
349.20029	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	349.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05415	2.5
70.45003	2.2
76.56131	2.5
105.16196	3.0
149.81694	2.6
170.58038	2.4
172.95178	5.7
174.38858	2.9
185.63640	2.6
190.96194	3.8
348.28772	2.5
349.23383	100.0
359.08557	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43547	2.1
53.00251	2.9
53.03876	3.0
55.01806	12.1
55.05448	35.3
56.96487	2.4
57.03371	33.2
57.06999	4.0
63.05383	2.2
66.70093	2.2
67.05421	65.9
69.06981	45.7
77.64601	2.1
79.05401	54.3
79.88946	2.2
81.06968	70.5
83.04883	16.3
83.08533	10.0
91.05402	52.2
93.06964	62.2
95.04900	30.1
95.08524	41.9
97.06453	5.5
97.10062	2.8
101.74388	2.4
105.06968	57.1
107.04879	21.2
107.08535	32.7
109.06483	25.7
109.10119	18.2
117.06952	16.9
117.81224	2.5
119.08527	28.9
121.06435	18.4
121.10076	16.1
123.07986	9.6
123.11639	4.3
129.06934	2.9
131.08528	35.5
133.06453	9.8
133.10109	27.8
135.08025	5.1
135.11650	6.0
137.09627	3.0
143.08524	4.5
145.10065	27.1
147.08011	5.8
147.11606	19.0
149.09589	10.3
149.13210	3.9
151.11179	5.9
155.08559	2.9
157.10103	3.2
159.07884	3.7
159.11653	12.1
163.11229	9.9
171.11728	4.2
173.09502	4.3
173.13231	9.6
175.11153	3.4
177.12782	2.7
183.11688	2.9
193.70773	2.5
219.13568	2.9
239.17979	3.5
247.20674	3.2
257.18906	13.5
275.19989	100.0
280.86841	3.4
293.21170	3.8
349.19730	4.5
349.23703	59.8
370.57397	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09886	2.5
53.31207	1.9
55.05427	4.0
57.03343	2.4
57.73825	2.3
60.82164	2.4
67.05418	6.1
69.06981	5.3
79.05394	12.9
81.06977	20.6
88.65726	2.4
91.05396	25.6
93.06961	23.7
95.08529	13.9
105.06969	50.3
107.08524	51.2
109.10116	20.2
116.98601	2.6
117.06950	12.0
119.08530	100.0
121.06422	4.8
121.10085	30.2
123.11650	6.1
131.08553	24.2
133.06352	3.9
133.10095	43.1
135.08002	6.1
135.11612	12.0
137.09665	8.7
143.08553	9.7
145.10121	20.1
147.08003	15.7
147.11682	5.6
149.09544	5.7
157.10107	16.7
159.11646	16.6
161.09573	5.8
169.10062	13.7
171.11647	11.0
173.13187	5.8
174.07616	2.8
179.10629	51.0
183.11650	26.3
185.13174	6.5
193.12022	4.3
195.11774	3.3
197.13240	14.2
201.12634	3.8
211.14784	6.1
213.16298	3.1
229.19498	4.2
239.17963	25.2
253.19438	13.7
257.18860	24.5
261.18362	3.0
263.17856	3.2
271.20343	2.9
281.19003	6.0
294.74246	2.7
299.19946	10.8
313.21542	20.2
317.21048	13.3
331.22433	9.5
341.45557	2.9
349.23444	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	349.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	13.6
53.34214	4.7
55.01800	22.5
55.05454	44.0
55.99945	5.3
56.96495	6.1
57.03360	36.9
67.05421	74.7
69.06989	69.2
71.68339	4.9
71.93784	5.2
79.05405	70.5
81.03353	45.4
81.06976	100.0
83.04895	13.4
91.05402	77.9
93.06966	48.6
95.01250	13.8
95.04897	24.2
95.08533	59.2
97.06437	9.6
105.06966	85.9
106.21587	4.8
107.04899	50.1
107.08555	23.9
109.06460	13.3
117.06972	13.8
119.08540	39.1
121.06551	6.2
121.10235	5.8
131.08556	26.0
133.10098	41.9
135.11641	11.7
145.06477	6.6
145.10100	11.6
147.11656	10.3
159.11584	10.6
168.41524	5.8
177.12627	7.0
179.14339	8.9
275.20041	38.3
301.02316	8.0
313.93790	6.4
349.23569	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	349.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	2.9
57.07001	7.9
67.05416	6.5
69.06973	3.2
71.08533	1.3
74.42043	1.0
79.05395	3.1
81.06963	7.6
85.06454	2.7
88.07561	10.5
93.06960	2.9
95.08517	7.1
99.08038	1.4
109.06465	26.5
109.10111	2.0
122.07221	2.3
123.08018	32.4
135.07997	3.0
172.91423	1.4
179.14253	100.0
226.89967	1.2
261.80432	1.2
349.27255	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	349.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83830	5.6
52.27217	6.7
53.60125	4.9
55.05448	7.3
55.38992	5.7
55.88071	6.0
57.00314	5.5
57.07008	64.9
71.08528	31.9
85.10072	9.5
89.05940	100.0
94.69976	6.9
108.20525	6.7
110.52762	7.3
133.08551	8.3
158.89482	6.5
166.94232	6.2
195.12260	23.7
275.84726	6.4
312.72766	8.6
349.23459	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	350.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	1.4
55.01804	0.7
55.05439	3.9
57.03370	5.4
57.07012	5.0
57.16753	0.6
61.02858	6.2
67.05443	5.4
67.05753	0.5
67.05875	0.5
69.03347	10.0
69.06982	3.9
70.06497	3.0
71.01245	0.6
71.04904	71.2
72.04282	0.6
73.02820	4.8
79.05416	9.1
81.03336	3.0
81.06970	100.0
82.07292	1.1
83.08530	4.8
84.08076	0.8
85.02823	55.1
85.05984	1.2
85.06463	25.0
86.09621	1.7
87.04398	1.1
91.03876	2.9
91.05408	5.7
92.39771	0.7
93.06962	28.7
95.04898	1.6
95.08517	20.5
97.02827	12.0
99.04387	2.9
100.47223	0.7
105.06953	1.7
107.08527	21.7
109.02807	3.6
109.06411	1.0
109.10106	3.7
114.37617	0.7
115.03883	3.0
119.08513	1.1
125.02299	0.8
127.03866	9.4
129.10187	0.9
133.04938	3.1
134.98409	0.6
135.11649	20.5
137.13211	19.5
145.04933	10.4
163.05956	3.0
179.05403	1.5
233.10211	1.7
262.26932	0.8
301.05634	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00257	1.4
55.05448	4.2
56.96503	4.0
57.07000	0.8
59.04939	2.7
60.04436	1.0
61.02865	0.6
61.09314	0.7
63.64937	0.7
67.05413	1.2
69.03353	4.6
69.06989	3.8
70.06517	7.3
71.04912	25.9
72.08077	1.0
73.06461	6.5
79.05401	6.9
79.47053	0.6
81.03344	0.8
81.06979	36.8
83.04919	0.8
84.08074	5.6
85.02819	5.7
86.09637	3.0
90.34869	0.7
91.05404	4.0
93.06974	23.6
95.08554	4.7
96.59601	0.8
97.02822	3.8
97.06461	3.8
98.97523	3.1
103.05420	0.8
105.06979	3.1
107.04938	0.7
107.08537	18.5
109.10101	4.0
110.07151	1.1
111.08020	0.8
116.98589	2.7
119.08562	1.2
120.08070	6.6
133.06435	2.8
133.10123	0.8
134.99649	1.7
135.11665	30.0
135.12685	1.5
145.04939	0.9
146.99648	1.4
147.11662	0.7
153.12726	100.0
154.13074	1.2
158.99611	0.8
161.05980	0.7
167.07071	1.4
177.00752	1.4
180.07733	0.7
182.11099	0.7
195.01878	0.7
206.70932	0.7
210.61699	0.7
244.03015	0.6
258.00385	0.8
301.02051	0.7
318.06598	0.9
350.23801	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	350.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79427	1.4
55.05108	1.7
56.96495	7.7
57.07012	14.2
58.06545	2.4
70.06512	59.2
71.08543	4.8
72.08078	7.3
84.08054	9.0
84.09419	1.8
86.09607	12.1
88.07551	9.3
89.05968	3.2
95.83582	1.9
98.97533	4.2
109.50856	1.8
114.09109	4.3
116.98550	3.0
132.10216	13.9
134.99612	4.3
146.11766	16.5
146.99644	2.0
156.17465	8.4
176.12862	2.3
200.20114	2.0
244.22659	82.4
255.72974	2.1
288.25278	33.7
350.28949	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31661	1.1
53.00249	2.7
54.81815	1.1
54.82075	1.6
55.01826	1.2
55.05456	11.0
56.04912	1.1
57.07005	6.7
58.00052	1.1
59.87960	1.2
60.08097	100.0
67.05431	9.7
67.05746	1.2
69.06989	13.9
71.04890	1.6
71.08555	20.0
79.05399	8.8
81.06967	16.0
83.08523	3.3
84.70825	1.3
86.05994	2.1
89.05952	15.5
91.05384	3.3
93.06982	12.1
94.39812	1.2
95.04871	1.8
95.08527	15.3
97.06499	2.6
97.10119	2.8
99.08010	6.7
105.06948	3.2
107.08548	9.9
109.06473	12.5
109.10104	8.8
119.08543	3.0
123.08051	1.8
126.37305	1.3
128.10680	1.4
133.10097	2.0
135.11676	1.7
138.12724	1.6
142.12267	1.7
143.83286	1.4
147.11697	1.9
151.09625	11.9
156.13837	2.1
159.11674	1.5
165.12712	14.7
173.13229	1.4
173.34975	1.3
175.14778	1.5
196.17030	1.7
226.17944	1.7
252.23119	13.7
273.22415	1.7
291.23047	16.3
350.30469	68.6
353.95456	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00232	0.6
55.05450	10.8
57.07010	1.6
60.77671	0.6
65.62809	0.6
67.05430	20.6
69.06979	12.3
70.02869	8.6
70.06514	10.8
71.08549	0.7
77.34370	0.7
79.05408	4.2
81.06976	16.8
81.09630	0.7
83.08532	3.7
86.05975	3.7
88.07553	100.0
89.05955	8.6
89.07857	1.0
91.05414	2.8
93.06969	3.3
95.08536	14.1
97.06466	1.0
97.10071	1.1
107.08521	1.5
109.06460	1.1
109.10085	5.8
114.05501	9.5
119.08531	1.2
123.08013	1.4
123.11684	0.9
133.08553	0.7
133.10349	1.1
151.09630	4.1
156.10182	3.0
170.11787	1.0
179.14258	4.6
180.14563	3.6
320.86899	0.7
350.30524	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	350.305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05437	22.5
57.07011	7.3
67.05424	9.2
69.06970	9.3
71.08531	5.7
72.04429	59.0
78.03161	3.2
79.05407	6.2
81.06955	19.6
85.07625	3.5
87.69532	3.1
88.07533	8.2
89.05951	57.1
91.05443	3.8
93.06954	7.8
95.08533	19.7
107.08515	21.9
109.06490	7.1
109.10139	5.5
111.08057	3.8
111.77832	4.0
114.09122	5.4
119.08501	6.2
121.10077	5.6
133.10236	4.1
142.12163	4.8
151.09648	33.4
179.14211	8.0
257.34296	4.6
305.24713	17.2
350.26447	6.0
350.30447	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39370	1.4
52.36295	1.5
54.45700	1.7
57.06733	3.4
57.07010	86.0
60.76627	1.9
63.98159	1.6
67.33595	1.8
71.08546	58.0
71.72549	1.6
85.10115	27.6
85.10595	2.7
87.49055	1.7
89.05952	100.0
92.11043	2.2
99.11679	1.9
107.06987	4.2
133.08585	7.5
146.37759	1.8
149.96275	1.7
151.09631	69.8
151.10809	3.0
155.11877	1.7
163.98709	2.1
177.24544	2.0
210.30904	1.8
210.96008	2.0
289.22653	2.0
333.29877	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	350.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05433	1.5
57.07012	100.0
71.08546	73.6
71.08944	1.9
76.14877	1.7
85.10101	31.5
89.05949	71.6
94.85772	1.6
95.93362	1.4
107.06987	6.0
133.08580	7.8
151.09636	46.8
258.12476	2.0
333.29907	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	350.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95527	0.9
53.00239	4.7
55.05447	57.5
57.03402	1.0
57.07010	11.6
61.88250	0.9
67.05129	1.1
67.05428	23.0
68.48795	1.1
69.06601	1.9
69.06982	66.5
71.08542	77.6
79.05400	6.5
80.04931	1.0
81.06965	29.5
83.08529	23.9
84.56051	1.0
85.10085	1.6
86.05984	8.2
86.09606	2.3
88.11186	100.0
89.05939	15.3
89.33790	1.0
91.05369	4.2
93.06956	5.7
95.08526	22.3
97.06430	4.2
97.10096	8.6
100.07494	2.1
105.06975	2.3
107.08517	4.6
109.10082	12.7
111.11621	1.6
114.09113	5.4
118.43446	1.0
119.08539	2.3
121.10080	2.2
123.08031	1.4
123.11639	2.6
133.10187	5.4
142.12251	2.0
147.11638	1.7
151.09622	8.0
156.13803	7.1
170.15286	8.3
170.91095	1.1
172.76297	1.0
184.16927	5.4
196.64888	1.0
198.18488	5.9
201.05737	0.9
210.18442	1.4
212.20134	1.7
224.86908	1.3
226.21567	2.0
245.22520	4.2
252.23132	1.2
254.24786	1.4
263.23740	2.0
268.26306	1.6
281.95682	1.1
350.34079	79.5
351.34314	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	350.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81769	5.8
55.05451	59.6
57.07009	20.1
67.05421	29.9
69.06652	4.8
69.06989	71.0
70.06502	5.6
70.88564	4.3
71.08543	65.8
72.04401	4.8
76.04429	3.9
76.63538	4.3
79.05381	5.6
81.06970	30.8
83.08531	21.3
83.37485	4.6
86.05998	5.7
88.11186	100.0
89.05941	96.8
91.05428	6.1
93.06974	9.5
95.08528	39.1
97.10116	5.8
133.08589	5.7
151.09607	63.2
158.64268	4.6
170.15282	8.6
184.16895	8.4
226.21877	5.5
233.24355	5.0
263.05719	5.0
280.25113	5.1
350.34082	92.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00244	1.7
55.05442	10.8
56.04960	6.9
56.96496	27.7
57.03381	2.9
59.04934	1.1
60.04451	11.6
61.01049	1.7
63.84079	1.3
65.03843	1.7
67.05414	6.4
69.03325	5.0
69.06995	15.2
70.02856	1.4
70.06503	62.2
71.04898	8.5
71.06824	2.8
72.08062	27.3
73.06433	1.7
74.05993	2.2
76.85580	1.1
79.05393	8.5
81.03340	2.5
81.06962	13.5
83.04863	1.6
83.05997	3.4
83.08524	1.8
84.03941	2.6
84.04419	45.1
84.08060	58.4
85.02835	10.2
85.04776	2.1
85.06461	2.0
85.08381	1.6
86.05983	2.1
86.09146	2.5
86.09624	48.3
87.04388	2.4
87.05511	6.0
87.09947	2.0
88.03905	2.8
91.05414	6.0
93.06956	9.3
94.06477	1.9
95.04919	2.1
95.06028	2.3
95.08517	2.4
97.02805	3.0
98.97509	100.0
102.05441	5.9
103.05396	2.2
104.05240	1.4
105.06978	5.5
107.04906	5.4
107.08545	16.4
109.10123	2.7
110.07116	29.8
111.04367	6.2
114.05485	1.5
116.07021	15.3
116.98563	95.5
119.08569	2.0
120.08041	23.7
121.08435	1.5
125.09538	2.0
128.10686	1.5
128.98529	3.2
129.10181	35.0
130.04958	3.4
130.06491	21.8
131.00087	3.1
131.06804	5.7
132.04391	18.1
133.04816	2.0
134.99620	62.0
135.04337	1.9
135.07997	6.0
135.11624	7.1
136.07497	1.8
137.05933	1.5
140.00159	2.2
140.98575	1.9
143.00137	13.7
146.99597	5.9
149.01178	7.1
153.00670	6.7
153.05414	2.5
153.09090	6.5
153.12720	19.5
156.98051	2.0
157.07584	11.1
158.05974	37.7
158.07936	2.3
158.99661	11.7
159.06406	10.8
161.01183	52.3
162.08943	1.8
170.99597	7.2
171.10028	5.3
173.12877	2.7
174.99098	7.1
175.08623	32.1
176.08980	10.6
177.00653	25.9
179.02164	14.2
182.99614	6.5
185.01112	1.8
189.00636	26.8
195.01733	9.6
201.00677	28.2
207.01654	11.4
219.01717	28.4
221.09190	11.6
222.09467	7.3
231.01707	2.4
235.43457	1.6
237.02736	2.4
249.02736	42.5
267.03732	20.1
272.04214	2.0
278.98172	1.3
282.27084	1.5
291.03751	15.3
309.04980	2.0
350.18381	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2136
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
50.83743	0.9
66.26665	1.1
67.05411	1.3
68.15186	0.9
71.03208	1.0
74.93582	1.0
81.06959	1.2
89.76305	1.1
290.31723	1.3
316.57373	1.1
351.21329	100.0
352.21509	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	5.5
55.05452	27.3
56.96472	3.2
57.03369	5.4
57.06997	2.6
64.16956	2.2
65.03865	3.1
67.05423	56.2
69.06977	16.0
71.04875	2.5
79.04961	3.8
79.05408	93.2
81.06519	2.7
81.06973	56.0
81.77428	2.4
83.08540	5.7
84.22259	3.2
91.05403	92.1
92.10904	4.0
93.06970	100.0
95.04881	15.8
95.08524	37.6
97.06470	4.4
99.07992	2.8
105.06967	86.0
107.08537	42.4
109.06489	3.2
109.10111	14.1
116.98529	3.7
117.06972	23.3
119.08528	66.4
121.10082	26.7
123.11626	3.1
124.00996	2.3
126.53362	2.5
129.06935	10.5
131.08495	21.0
133.10075	52.7
135.11629	21.2
143.08577	6.5
145.10092	18.4
147.11688	38.2
149.09531	3.0
149.13208	9.8
157.10127	4.0
159.11682	14.3
161.13187	13.5
163.11163	3.3
171.11650	5.0
173.13142	4.9
173.54132	2.9
175.14830	3.6
185.13152	5.9
185.35460	2.7
187.96136	2.9
199.14651	4.9
213.00035	3.3
231.20909	3.3
241.19434	15.8
259.20529	52.9
303.71356	3.1
305.02747	3.4
344.12799	2.7
351.25156	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	3.2
54.21322	1.3
55.01796	1.7
55.05208	2.0
55.05450	26.4
56.96511	12.3
57.03365	6.7
57.07019	2.5
58.63677	1.2
67.05425	51.3
69.06995	18.2
71.04885	1.6
75.04362	1.2
76.51437	1.4
79.04958	2.9
79.05411	82.2
81.06971	54.9
82.05990	1.4
83.04873	2.2
83.08533	10.9
91.05406	63.3
93.06970	100.0
95.04885	11.9
95.08528	29.7
97.06454	2.7
105.06973	67.1
107.08536	49.7
109.06449	2.9
109.10093	11.5
117.06955	17.9
119.08522	48.5
119.81320	1.5
121.10090	28.9
123.08028	1.6
129.06973	10.5
131.08514	17.2
133.10086	37.7
135.11630	20.6
143.08513	9.8
145.10126	12.4
146.99609	2.2
147.11682	19.7
149.09584	2.9
149.13248	14.6
157.10115	6.8
159.11629	11.0
161.13158	13.4
163.14709	2.6
165.12659	1.5
165.71843	1.6
171.11636	5.8
173.13275	2.5
175.14810	3.2
179.14099	1.6
185.13193	3.3
199.14732	2.7
213.16373	1.9
231.21048	2.3
235.09557	1.5
241.11009	2.9
241.19461	7.9
259.09555	1.9
259.12106	12.6
259.20538	43.0
268.24503	1.6
277.21552	5.9
295.22705	2.6
333.24240	2.3
349.16776	3.2
351.18130	2.2
351.25119	18.1
367.17889	11.8
368.18063	2.3
369.19458	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	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96206	3.0
55.01801	24.4
55.05452	46.5
57.03368	37.2
57.06997	17.6
65.03864	3.4
67.05422	100.0
69.06991	41.1
71.04907	4.1
71.08542	56.8
79.05402	74.2
81.03326	6.9
81.06972	82.4
83.04886	25.8
83.08553	5.0
85.06463	4.4
91.05405	60.1
93.06970	84.5
95.04886	25.6
95.08522	60.7
97.02840	4.2
97.06464	12.7
99.08012	20.3
105.06910	27.4
105.61303	3.8
107.04869	6.1
107.08542	31.6
109.06496	8.8
109.10090	24.8
111.07998	3.6
117.06960	4.7
119.08519	30.6
121.10046	20.5
125.09586	7.7
131.08473	3.6
133.10094	18.1
135.11638	27.8
137.09616	6.5
139.11188	3.9
145.10100	3.9
147.08017	6.1
149.13245	6.7
151.11137	26.6
159.11577	5.4
161.13194	8.7
163.11041	6.1
167.10651	19.1
172.95239	3.8
177.12814	3.8
179.14267	54.7
185.98752	3.5
226.77483	4.6
238.26201	3.6
277.21613	37.4
351.25189	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	352.1611
Annotation	trans-Zeatin-riboside
Peak:m/z	Relative Intensity
53.82194	0.3
55.01804	1.9
55.05437	1.3
56.04967	1.7
56.96502	0.5
57.03365	2.2
57.06996	0.4
60.04452	1.7
61.02848	0.5
64.33004	0.3
67.05436	2.7
69.03337	1.4
69.06982	1.8
69.84605	0.3
70.06509	7.7
71.01250	0.6
71.04903	0.8
71.06821	0.3
72.08067	5.2
73.02823	1.4
81.06976	2.0
84.04422	3.9
84.07538	0.4
84.08064	10.6
85.02821	2.9
85.06463	0.8
86.09627	14.5
87.09969	0.4
88.03918	1.3
91.05397	0.4
92.10693	1.8
93.06983	0.8
95.04890	0.4
95.08535	2.2
97.02807	0.8
98.97520	0.4
101.10699	0.4
102.05473	0.5
103.05350	0.4
106.06440	0.4
107.04894	0.4
109.02821	0.5
109.06474	2.9
109.10104	1.5
110.07113	3.6
115.03808	0.5
116.07038	0.5
117.03413	0.3
119.03500	0.6
119.04948	0.4
120.08060	1.9
127.07512	1.7
127.11100	0.4
129.10175	6.1
130.06454	0.5
130.68703	0.4
131.04883	2.0
136.06157	100.0
137.04572	1.5
137.05859	2.3
137.09590	0.8
143.11774	0.4
147.11240	0.5
148.06158	10.3
155.07027	0.5
155.10582	2.3
159.06595	0.7
173.08000	0.7
173.11595	0.8
173.12952	0.6
185.08150	4.6
186.12296	0.4
197.12755	0.6
201.12350	2.1
202.10846	10.7
202.12666	0.5
214.65384	0.3
215.55836	0.3
220.11888	58.2
221.12389	0.6
221.14758	0.3
294.75226	0.4
352.16052	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1616
Annotation	O-beta-D-Xylosylzeatin
Peak:m/z	Relative Intensity
54.81397	0.2
55.05443	1.4
56.04971	1.4
56.96496	0.6
57.03367	0.4
59.04929	0.3
60.04453	2.4
67.05429	2.6
69.03339	0.6
69.06979	1.6
69.13984	0.3
70.02859	0.4
70.06131	0.6
70.06506	10.5
71.04915	0.6
71.06816	0.4
71.44915	0.3
72.08067	7.2
74.06006	1.1
75.05529	0.3
79.05396	0.4
81.06970	2.0
82.06482	0.3
83.06010	0.4
84.04423	4.0
84.08067	10.5
85.02819	1.2
85.06485	0.3
85.08397	0.3
85.68147	0.3
86.09624	10.5
87.04357	0.4
87.05516	0.3
87.09967	0.5
91.05397	1.7
93.06982	0.4
95.04895	0.4
95.08528	1.7
97.02826	1.5
98.97506	0.3
102.05477	1.5
103.05371	0.4
107.08537	0.5
109.06445	0.5
109.07531	0.4
109.10107	1.2
110.05986	0.4
110.07108	3.7
112.08660	0.4
115.08633	0.4
116.07070	0.4
116.98559	0.4
119.03487	0.7
119.04896	0.4
120.08070	3.3
122.05939	0.4
129.10202	5.5
130.04950	0.6
136.06161	100.0
137.04515	0.7
137.05844	0.3
137.09560	1.1
140.07072	0.7
143.11850	0.6
148.06110	3.4
153.12727	1.1
155.06984	0.5
155.10649	0.7
159.06639	1.1
169.07677	0.5
170.06003	0.4
171.13670	0.5
172.14177	0.3
173.08160	0.6
175.09706	0.4
175.11749	0.4
185.08217	5.3
187.08475	0.4
202.10829	7.1
220.11899	53.4
221.12166	0.4
222.01944	1.6
232.36409	0.3
240.02983	2.4
255.05330	0.4
258.04092	2.0
269.03384	0.5
273.06458	0.7
288.11267	1.1
302.67804	0.3
311.07983	0.3
311.65933	0.4
352.12537	1.2
352.16116	5.6
353.08990	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81023	0.7
55.05453	10.6
56.04963	4.5
56.96498	2.1
57.03362	0.8
57.05710	0.8
60.04455	29.6
60.39214	0.7
64.33541	1.2
67.05424	3.9
69.03343	1.7
69.06982	2.1
70.02879	1.7
70.06142	1.3
70.06508	24.5
70.53402	0.8
72.08068	100.0
79.05393	1.5
81.06976	1.1
83.06003	1.2
84.04424	9.4
84.08060	24.0
85.02834	3.7
86.09622	22.6
86.10111	1.5
87.05508	18.8
88.03915	1.7
90.55978	0.8
91.05402	3.8
93.07008	0.9
94.06491	1.5
95.04897	2.3
96.08010	1.4
98.06017	1.3
102.05451	1.8
103.05376	2.3
107.04859	1.1
109.10114	1.1
110.07081	8.2
114.09112	23.1
119.57717	0.9
120.08057	41.4
120.08927	1.4
121.08427	0.8
127.07508	2.0
128.02324	0.8
129.10184	12.9
130.06464	1.7
136.07567	1.3
146.05974	3.9
148.03944	0.9
148.06047	1.1
155.10699	1.2
158.05954	1.4
159.09204	2.1
159.11250	79.2
166.08580	10.6
187.10739	18.8
203.94324	0.9
209.04330	2.9
220.11917	1.0
257.84494	1.0
300.01343	1.1
352.15955	1.1
352.22141	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41009	0.6
53.03880	0.9
54.39977	0.5
55.01815	0.7
55.05455	4.8
56.04957	7.4
56.96489	1.0
57.03346	0.8
57.05750	0.7
60.04456	6.2
67.05419	5.9
69.03335	4.3
69.06982	11.8
70.02857	0.8
70.06506	40.5
70.43375	0.6
71.04906	1.0
71.06829	3.1
72.08064	27.5
73.02818	0.7
73.08405	0.6
74.05982	5.0
74.19299	0.7
75.05510	13.8
76.02113	0.7
76.70339	0.6
79.05408	1.6
81.03321	4.6
81.06979	10.2
83.04903	0.7
83.06017	2.7
84.03951	0.9
84.04424	17.7
84.08060	31.2
85.02808	5.2
85.04707	0.9
85.06474	6.2
85.08384	0.7
86.09621	100.0
87.05550	1.1
87.09957	0.9
88.03909	5.4
91.05401	7.7
93.06956	3.0
94.06501	1.2
95.04890	1.5
95.06033	1.2
95.08507	1.6
96.04496	0.8
97.02793	4.5
97.06437	1.3
98.09672	0.7
98.97501	1.5
99.04385	0.7
99.05470	0.8
101.07076	1.0
101.10689	0.9
102.05489	6.1
103.05358	1.4
104.05212	0.8
106.06482	1.5
107.04914	2.5
107.08524	1.0
109.02815	2.7
109.06468	10.9
109.10107	3.3
110.07112	16.1
111.09034	0.7
112.08663	3.6
112.93818	0.6
115.08562	1.2
116.07033	1.1
116.98549	1.2
119.04890	7.7
120.08044	6.5
123.04378	9.5
127.03851	2.8
127.06604	1.3
127.07491	12.4
129.10188	13.3
130.04958	2.7
130.06491	1.1
130.08589	1.0
130.10515	0.8
131.04877	8.3
134.99649	0.8
136.07538	28.2
137.05917	10.7
137.09544	1.0
143.11757	51.5
146.05984	4.4
147.04370	3.8
147.11205	0.8
148.06018	1.3
155.06978	4.1
155.10634	1.3
156.07616	1.5
165.05423	11.1
171.11246	6.9
173.08017	6.3
173.12891	0.9
174.05482	2.6
181.17592	0.7
182.08107	10.8
186.09047	0.7
200.09151	1.0
201.10089	1.1
205.13408	0.7
215.11594	1.0
216.12096	1.4
229.09619	2.9
240.06349	0.9
257.09079	3.3
281.10193	1.0
299.11130	2.7
316.13635	1.5
334.14761	0.8
335.12399	1.3
352.15662	7.9
355.67249	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00251	1.6
53.03899	0.3
54.59358	0.2
55.01814	0.3
57.03374	0.6
58.06520	0.4
60.04456	2.7
61.02848	0.6
67.05429	1.0
69.03343	5.7
69.03694	0.3
69.06988	100.0
70.06514	2.2
70.07311	0.5
71.04910	0.4
72.08077	0.5
73.02810	0.6
81.03334	1.2
84.04430	1.7
84.08047	2.1
85.02832	7.8
85.08371	0.3
86.03146	0.3
86.05995	7.9
86.09633	1.0
87.04388	3.2
87.08031	51.3
88.03926	1.0
91.03899	0.3
92.10929	0.3
97.02820	2.5
104.07040	2.7
105.07422	0.5
105.09084	17.2
106.04968	2.2
109.02823	1.3
110.07101	3.1
112.07520	0.3
116.07025	0.6
120.07996	0.4
126.12748	0.6
127.03860	1.5
127.34152	0.3
129.10229	0.4
130.04971	0.5
144.10107	0.5
144.13803	2.6
145.04948	0.6
154.08597	1.3
172.09677	2.7
190.10655	1.2
190.14322	1.7
196.37819	0.3
209.13939	0.4
213.07480	0.3
237.13335	0.4
292.41476	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05188	3.3
55.05450	72.8
56.96495	3.1
57.07004	8.3
67.05403	1.7
69.03345	6.2
69.06976	7.5
70.02866	2.2
70.06499	8.7
71.04914	3.3
72.08041	1.5
79.05405	1.9
81.06971	6.2
83.04893	7.0
83.08100	1.7
83.08547	32.2
84.08069	3.3
85.02815	2.3
86.09608	1.7
91.05413	2.4
95.08493	3.3
98.09586	10.6
98.97514	10.9
100.07551	21.2
100.11182	91.9
105.06944	2.9
111.04417	2.8
112.07549	15.0
116.98563	9.1
119.08556	2.8
121.10058	1.4
126.09135	12.2
128.07080	2.1
128.98578	1.7
131.08560	2.4
134.99622	5.6
140.07053	1.8
151.26141	1.4
158.01132	1.8
158.99599	2.6
165.00909	1.4
177.00735	5.5
182.15366	100.0
210.14848	28.1
227.17465	6.3
228.15894	12.4
309.21667	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	352.2843
Annotation	Melophlin R
Peak:m/z	Relative Intensity
53.00248	1.3
55.05444	7.7
57.07001	4.6
58.12484	0.9
62.06020	100.0
63.05603	0.9
65.17365	1.0
67.05421	7.5
67.62648	1.0
69.06981	7.5
70.06525	1.3
71.08556	7.5
72.08089	1.4
79.05399	5.4
81.06973	14.9
81.14313	1.1
83.08555	1.9
84.18934	1.0
85.06453	1.2
86.87022	1.1
91.05396	4.6
92.10007	1.0
93.06987	7.8
94.40274	1.0
95.04892	6.0
95.08530	10.7
97.10090	1.0
97.76994	1.1
98.05983	5.9
99.08024	1.7
102.90252	1.4
103.08653	1.0
105.06991	2.6
107.08530	5.6
109.06475	21.4
119.08514	2.4
121.10098	2.3
123.08031	1.0
133.10059	1.5
145.10141	1.0
147.11649	1.4
165.11612	1.3
165.12720	33.4
193.16063	1.1
210.15004	1.7
235.16910	1.6
291.23093	14.7
334.27267	7.3
334.31009	4.6
335.25601	2.2
352.28391	40.1
353.28650	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82272	0.9
55.05453	16.3
57.06995	2.1
67.05415	6.4
69.06988	14.3
70.02876	8.1
70.06508	10.7
71.08549	1.7
79.05396	4.4
81.06960	6.3
83.08537	8.6
88.07550	100.0
89.05940	1.2
91.05390	1.5
93.06968	2.3
95.08516	6.3
97.01009	1.1
97.10097	2.5
107.08541	1.9
114.05474	7.5
121.10067	2.3
156.10138	1.8
219.47523	1.3
225.04143	1.1
234.72876	1.3
244.29355	1.1
349.25159	1.4
352.32028	44.6
353.14804	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	352.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32204	2.5
55.01814	39.1
55.05455	50.5
57.03393	3.2
57.07009	18.5
58.07379	3.1
59.07980	2.2
63.59894	2.5
67.05427	95.2
69.06989	70.3
70.06507	15.1
71.08556	14.8
72.08070	6.5
79.05421	19.8
81.06974	100.0
83.04906	18.2
83.08539	33.4
89.05950	4.9
90.71254	3.0
91.05424	4.0
93.06979	28.4
95.08530	83.5
97.06458	12.3
97.10123	11.7
105.06976	3.5
105.80716	3.7
107.08519	22.4
108.70341	2.7
109.06445	2.5
109.10118	37.1
111.08000	3.9
115.08657	16.1
119.08528	4.3
121.10099	19.3
123.11681	6.8
133.10114	3.0
135.11664	5.7
137.13219	3.5
147.11646	3.5
153.12758	6.9
163.14766	4.3
176.02759	3.1
335.29352	64.6
352.32016	27.4
356.24277	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	352.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07005	6.9
60.38769	1.2
62.68489	1.1
62.95249	1.3
69.06966	5.5
71.08544	2.3
81.46944	1.2
84.08075	2.0
86.09145	2.8
86.09627	45.6
102.99818	1.3
105.30881	1.6
261.36401	1.5
280.72968	1.6
291.02097	1.6
332.47357	1.7
352.35681	100.0
353.35983	8.3
369.89511	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19394	2.3
55.05444	6.7
57.06997	17.4
63.19973	2.1
68.70249	2.4
69.06977	18.1
71.08547	45.7
79.05423	3.4
81.05460	2.3
81.06964	2.8
83.08529	11.7
83.69610	2.4
86.05987	3.9
88.11204	36.7
89.05911	3.2
90.21934	2.5
91.05352	3.5
93.06969	3.1
97.10086	3.1
124.10451	2.9
135.09163	2.8
137.68178	2.8
141.39574	2.4
170.15381	3.4
204.05333	2.9
254.24763	3.5
339.14417	3.0
352.35675	100.0
353.14432	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	353.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81373	0.5
65.03859	2.9
69.62946	0.4
79.05401	5.5
88.99376	0.4
91.05402	98.3
92.05747	2.0
95.04893	1.0
107.00420	0.9
108.01215	9.0
109.27764	0.6
128.41168	0.5
146.57967	0.5
152.06165	0.7
183.03542	18.2
184.04321	5.0
185.05096	9.6
202.05542	0.6
219.05791	0.6
261.08200	16.2
262.09003	13.8
263.09354	0.8
273.22559	0.6
293.07281	2.1
294.07971	15.3
295.08441	0.7
304.67773	0.7
353.14450	100.0
354.14679	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	353.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36802	0.5
53.03902	1.1
55.01804	0.7
55.05454	27.1
56.04971	4.9
56.96498	2.4
57.03367	1.2
58.50443	0.5
59.04936	100.0
60.04460	1.0
61.02863	1.1
65.89184	0.6
67.05421	10.4
69.03339	3.3
69.06985	8.3
70.06513	19.5
71.04910	15.2
71.06844	1.0
72.08079	9.4
73.06468	7.7
74.05994	3.9
81.03336	2.3
81.06974	4.9
83.04897	10.2
83.06020	0.9
83.08546	0.8
84.04430	10.6
84.08069	23.9
85.02812	8.7
85.06474	2.3
85.08395	0.8
86.09631	13.6
88.03922	1.1
89.83693	0.6
91.05391	1.4
93.06985	4.9
95.04903	2.9
95.08533	67.9
96.08855	0.8
97.02833	3.1
99.04382	0.7
99.08035	1.0
101.05956	41.1
102.05465	3.0
103.03880	1.0
109.02821	2.4
109.10109	25.9
110.07122	8.0
110.10439	1.0
112.08706	1.0
113.05972	10.3
113.09571	7.2
115.08624	0.8
116.07060	0.8
117.63605	0.7
119.07076	0.8
119.08527	1.4
120.08031	6.1
127.03936	0.9
129.10222	6.1
130.04953	3.2
130.06509	0.7
136.06334	0.7
136.07593	2.7
137.05911	0.7
137.09598	13.9
140.07036	2.5
145.02849	0.7
148.06055	1.3
155.10645	28.0
155.11617	1.3
157.23984	0.6
173.11684	17.8
175.09709	0.7
176.04579	0.8
191.05219	0.8
191.08098	0.6
191.12793	3.7
248.14189	0.7
260.52634	0.6
265.04828	1.4
272.07813	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44545	2.0
52.54480	1.9
54.81963	2.1
58.23706	2.1
64.15287	2.3
67.05437	3.2
81.06969	3.1
91.45982	2.3
95.08540	5.1
194.78645	2.4
234.73335	2.8
238.22888	2.6
249.41733	2.6
321.81952	2.8
353.20572	100.0
354.20953	4.0
378.84659	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	23.9
55.71558	8.5
56.21452	12.1
56.96499	24.0
57.06993	16.1
67.05425	100.0
69.06992	26.5
79.05379	21.9
79.09135	10.8
80.60036	9.3
81.06977	93.4
85.41953	10.8
91.05393	24.6
92.10240	24.1
93.06960	43.9
95.08527	90.0
105.06972	11.0
107.08535	17.1
109.10087	45.6
116.98560	17.9
119.08556	15.2
121.10114	20.2
134.99709	14.1
135.11673	15.3
135.44490	10.4
184.26433	10.3
261.22021	24.1
271.08432	10.8
271.16913	12.2
353.20627	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	353.2292
Annotation	15-keto-PGE1
Peak:m/z	Relative Intensity
56.96497	2.3
57.56434	0.8
98.97526	1.3
152.00172	0.9
152.65813	0.9
353.22897	100.0
354.23264	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	0.7
56.96492	3.3
58.06134	0.6
71.08512	0.8
81.06966	1.2
85.79959	0.7
102.26814	0.8
107.05991	1.0
115.73802	0.8
116.98561	0.9
149.07014	0.7
168.91054	0.9
200.34116	0.8
215.11273	1.2
220.92036	0.7
225.24390	0.8
353.22900	100.0
354.23404	1.8
375.49310	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05437	11.6
55.36415	7.0
56.96491	33.7
57.03358	45.7
61.78593	6.9
67.05419	42.2
69.06979	29.9
71.04871	8.2
79.05392	37.6
81.06959	29.8
91.05395	80.1
93.06961	46.0
95.04906	9.3
95.08512	34.5
97.06387	8.0
97.37491	8.4
98.97508	14.1
99.08005	7.8
105.06951	65.8
107.08513	47.0
109.10071	13.2
116.98546	32.2
117.06937	73.5
119.08547	55.1
121.10062	62.6
125.09560	43.0
129.06909	30.7
131.08501	46.0
133.10118	34.6
134.99596	30.7
135.11626	44.2
141.06960	10.3
143.08533	40.5
145.10068	100.0
147.11668	15.4
153.09094	32.9
155.08513	31.0
157.10075	32.0
159.11668	40.7
163.11079	12.7
169.10051	42.6
173.13277	19.1
183.11496	10.6
185.13232	17.6
187.14771	18.2
197.13257	52.7
198.13861	16.6
199.14687	8.4
201.16339	15.0
215.14320	67.2
229.19464	17.3
239.17815	39.1
257.18948	54.1
275.19843	11.1
285.18384	41.5
299.19977	12.3
303.19510	68.1
317.20938	9.2
353.22842	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	353.266
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38799	1.1
61.67630	1.3
73.30725	1.2
77.01655	1.3
83.03425	1.2
91.05399	5.2
98.97268	1.4
106.72639	1.3
136.62828	1.5
240.58119	1.5
253.84680	1.3
353.14630	2.3
353.26544	100.0
354.27063	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	353.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52412	3.8
55.05438	11.1
62.56035	4.0
67.05426	33.4
69.06983	20.5
71.08526	23.7
78.28968	5.7
79.05389	25.6
81.06975	39.9
81.69510	5.1
83.08507	5.8
91.05382	11.2
92.10191	8.0
93.06973	42.3
95.08558	34.4
97.06452	11.9
97.10059	6.7
97.69653	4.7
99.07984	5.3
105.06960	5.8
107.08521	21.7
109.06454	38.3
119.08525	7.8
121.10023	6.6
123.86667	4.8
133.10144	5.2
144.59862	4.0
147.11688	7.5
163.37332	4.5
165.12703	51.7
172.83807	4.6
182.48552	5.5
192.09946	5.1
277.32822	4.9
291.23041	86.3
327.94962	5.3
353.26816	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2681
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.52421	1.4
53.03867	1.9
54.81416	2.0
55.05453	19.2
57.03363	7.1
57.07005	1.7
57.22249	1.5
65.03858	2.8
66.22615	1.7
67.05076	3.2
67.05424	93.6
69.06969	12.3
75.04367	1.9
76.05841	2.0
79.05409	52.4
81.06973	100.0
81.07447	4.4
83.08525	3.6
88.58826	1.6
91.05401	24.2
93.06972	62.5
95.04876	1.8
95.08528	66.6
97.06448	3.1
97.10107	1.8
105.06983	20.6
107.08524	33.2
109.10099	29.8
117.06934	10.4
119.08529	14.0
121.10092	27.0
123.11660	12.3
125.51395	1.8
131.08531	18.4
133.10083	9.9
135.11667	22.0
137.13231	3.2
145.10106	8.0
147.11626	8.6
149.13222	12.7
159.11647	10.1
161.13229	3.1
163.14784	9.4
173.13225	11.0
184.05531	2.2
187.14757	7.0
243.21074	13.3
261.22034	32.6
279.23120	3.1
335.25635	8.0
343.93494	1.7
353.26614	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	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05452	21.6
57.03376	3.5
57.07005	4.2
67.05077	3.5
67.05425	98.1
69.06985	21.8
71.04889	6.1
79.05406	58.1
81.06971	100.0
83.08543	4.2
85.06467	3.3
91.05392	30.9
93.06969	75.2
95.04884	4.1
95.08531	74.0
95.09142	2.9
97.06435	2.2
97.10104	2.0
99.08086	1.5
100.41885	1.7
105.06960	22.2
107.08533	45.0
109.06514	2.9
109.10106	40.0
109.79142	1.9
110.68456	1.6
113.09557	2.0
117.06995	12.5
119.08522	14.6
119.59776	1.7
121.10096	34.5
123.11643	16.2
131.08530	22.5
133.10135	13.1
135.11649	26.9
137.13251	4.2
145.10074	16.3
147.11649	9.4
147.55891	1.8
149.13196	18.0
151.96536	1.9
159.11665	13.4
161.13210	10.0
163.14699	12.9
173.13211	14.6
175.14764	7.9
187.14761	3.9
243.21085	18.1
261.22073	53.8
335.25671	4.3
353.26666	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	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03880	2.0
55.05445	15.7
55.08906	0.8
55.17796	0.8
57.03361	5.5
57.07004	4.2
57.18164	1.0
63.02012	0.8
65.03870	1.4
65.41445	0.8
67.05424	92.3
69.06989	12.1
70.14577	0.9
71.04916	1.2
71.08544	1.1
79.05405	46.1
79.05862	1.8
81.06970	100.0
82.86952	0.8
83.04868	1.7
83.08553	7.1
83.10033	0.9
91.04843	1.0
91.05397	23.6
93.06966	54.4
95.04884	5.3
95.08527	63.6
97.10063	1.4
105.06950	14.9
107.08528	32.3
109.06496	1.2
109.10095	28.0
115.52837	1.0
117.06939	8.3
119.08526	11.8
121.10083	24.6
123.08006	1.2
123.11658	10.5
125.01531	1.0
131.08508	13.7
132.33037	1.0
133.10075	10.3
133.63423	1.1
135.11684	19.2
137.13205	1.8
145.10094	11.2
147.11646	6.4
149.13234	11.2
151.14720	1.0
159.11597	7.5
161.13197	5.6
163.14792	7.0
173.13223	9.1
175.23351	0.9
177.16394	1.4
187.14806	4.3
201.16379	1.1
233.22597	1.5
243.21095	11.6
261.19513	1.9
261.22073	34.9
335.25723	7.2
353.26730	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	353.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02156	3.3
55.05439	19.2
56.04959	9.0
56.96488	7.2
57.07016	7.7
62.23172	3.4
66.59921	4.2
67.05424	100.0
67.39580	3.6
69.06973	26.4
71.17607	3.8
79.05402	56.6
81.06963	98.2
91.05398	39.5
93.06963	79.0
95.04852	6.5
95.08514	68.8
105.06944	23.5
107.08517	27.6
109.10073	31.4
116.98576	5.8
117.06960	8.5
119.08533	9.3
121.10089	27.2
123.11658	6.6
131.08528	25.6
132.21643	3.9
133.10100	5.3
134.99606	9.8
135.11646	6.3
145.10068	9.8
149.13217	7.5
154.12219	39.1
157.99384	4.3
159.11559	4.2
159.46021	3.6
161.13129	4.1
163.14821	5.9
171.14879	17.7
173.13289	6.9
243.20915	7.8
261.22028	42.7
296.09473	4.7
341.53397	4.7
353.26785	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	353.268
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.00251	1.0
53.03880	2.3
55.05447	17.6
57.03361	7.6
57.06998	5.2
65.03844	1.8
65.53355	1.0
67.05421	90.8
69.06983	16.7
75.04398	1.2
79.05399	41.4
81.06966	100.0
83.08522	5.9
91.05399	25.5
92.63849	1.2
93.06963	58.6
95.04873	1.8
95.08522	74.6
97.06443	2.6
105.06967	18.1
107.08529	36.0
109.06453	2.3
109.10094	32.2
111.08011	1.7
117.06966	9.0
117.69172	1.2
119.08502	14.7
121.10090	25.8
123.08022	1.6
123.11643	10.8
131.08531	18.7
133.10065	10.3
135.11659	20.2
137.13184	1.6
145.10080	12.6
147.11642	8.7
149.13231	13.9
159.11617	8.6
161.13249	9.2
163.14786	6.5
167.05730	1.2
173.13196	10.2
175.14749	1.5
177.16347	1.8
185.06493	1.1
187.14789	5.5
189.05780	1.2
201.16534	1.3
243.20905	12.9
261.22052	44.8
262.22446	1.3
279.23157	2.4
316.28552	1.1
335.25742	11.0
353.26657	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.12768	1.2
53.03873	2.0
54.91204	1.1
55.05455	17.3
56.86874	1.1
57.03368	5.9
57.07003	6.2
62.18105	1.0
63.34478	0.9
65.03871	2.8
65.38444	1.1
67.05426	100.0
67.66918	1.2
69.06979	12.7
71.04894	2.8
74.10234	1.2
75.04408	1.7
79.05409	54.8
81.06973	92.2
83.04910	1.9
83.08538	6.5
85.06465	1.8
91.05402	29.3
93.06971	74.8
95.04893	2.8
95.08530	64.2
97.06483	2.5
97.10133	1.7
99.07980	1.4
105.06972	20.6
107.08537	37.0
107.09214	2.3
109.10104	33.7
111.08067	1.2
117.06977	10.1
119.08540	16.2
120.62416	1.2
121.10091	30.3
123.11658	11.4
131.08533	23.2
133.10083	14.4
135.11671	22.5
137.09572	1.3
137.13159	1.9
145.10114	15.9
147.11649	8.9
149.13248	14.7
151.11182	1.2
159.11693	8.6
161.13280	5.8
163.14775	10.4
173.13252	9.1
175.14804	1.6
177.16368	1.8
184.32225	1.2
187.14835	5.3
201.16336	1.7
243.21036	14.0
252.34587	1.4
261.22089	46.9
262.22598	1.5
279.23026	1.9
335.25824	2.8
353.26840	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	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03883	2.3
54.81393	1.7
55.05457	17.8
57.03370	6.3
57.07017	5.6
67.05430	100.0
69.06995	17.5
71.08578	1.9
79.05408	54.2
81.06510	3.0
81.06978	90.7
82.07318	1.5
83.08534	6.8
87.37544	1.5
91.05414	29.4
93.06980	74.1
95.04903	6.4
95.08540	72.0
97.06448	3.1
99.07983	1.8
105.06985	16.3
107.08540	40.3
109.06458	2.2
109.10103	21.7
117.06985	6.5
118.19894	1.5
119.08521	12.1
121.10101	26.3
123.11646	10.1
131.08511	20.8
133.10068	10.7
135.11681	20.7
137.13213	2.2
145.10085	16.3
147.11670	6.0
149.13260	11.9
151.14803	2.5
159.11688	9.2
161.13197	2.1
163.14774	7.8
173.13231	7.4
187.14738	3.3
220.02280	1.5
243.21075	13.7
255.28705	1.6
261.22098	33.6
290.97147	1.8
319.09390	1.6
335.25662	8.7
353.26709	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	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47738	3.3
55.05436	21.0
56.96502	4.8
57.07019	7.5
66.14769	3.9
67.05420	91.5
69.06966	9.9
79.05399	57.3
81.06972	100.0
83.08544	6.3
91.05424	33.5
93.06971	66.0
95.04906	6.1
95.08528	70.2
97.06425	5.6
98.82246	4.5
102.82007	4.8
105.06947	20.8
107.08550	37.5
109.10093	28.2
116.98615	8.7
117.06920	8.5
119.08512	10.1
121.10086	31.0
131.08495	25.0
133.10092	10.5
134.99620	10.2
135.11655	21.3
145.10091	8.5
145.40691	4.8
149.13194	9.7
151.14740	4.7
159.11652	6.2
163.14699	6.0
173.13257	8.3
187.14743	6.0
243.20988	6.1
261.22073	32.3
269.39841	4.9
314.24213	5.1
340.09027	4.6
353.26813	6.3
359.60336	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	354.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	1.5
55.01795	2.5
55.05446	22.8
56.04977	2.0
57.03334	1.5
60.04438	1.8
67.05428	2.7
69.03335	7.6
69.06986	15.8
70.06507	37.3
71.06793	1.6
72.08070	14.4
73.34588	1.5
74.05968	2.6
79.05376	2.6
81.03317	8.2
81.06977	1.9
83.08535	58.1
84.04417	7.5
84.08066	27.6
85.02813	8.6
86.09612	27.1
91.05386	9.2
93.06973	3.3
94.06478	7.5
95.08532	1.9
96.08012	2.1
97.02819	7.3
98.05978	1.9
103.05396	3.2
109.02810	9.2
110.07098	16.3
111.08031	22.1
112.08675	1.9
113.16567	1.6
116.07033	2.3
117.75034	1.4
118.06454	3.6
119.04884	4.0
120.08041	9.8
120.44820	1.8
121.28756	1.6
122.05959	15.6
124.07546	8.0
127.03857	9.2
129.09146	4.7
129.10184	15.6
130.06482	100.0
132.08064	2.6
134.05966	51.9
136.07547	23.4
137.05981	2.5
139.07523	2.4
140.07031	2.7
144.08026	1.8
146.06001	9.2
146.28049	1.7
149.07051	6.6
150.05470	85.0
152.07027	67.5
154.08672	2.6
157.07468	2.5
157.08586	7.2
158.08362	3.4
159.09140	10.3
161.07109	7.2
162.07878	2.9
163.08609	46.8
169.07547	2.9
175.09628	41.2
180.07950	3.2
181.09682	6.7
193.09528	2.1
206.08443	2.3
207.07547	10.1
221.10687	2.2
225.08678	18.7
232.09554	1.8
248.09396	2.9
249.10126	28.3
261.73322	2.0
262.10797	2.2
263.11768	9.0
267.11139	10.8
275.11713	24.2
279.11285	15.8
281.12756	23.1
283.11676	7.5
292.14371	12.8
293.12802	16.6
301.12814	6.9
310.15341	12.6
319.13760	3.8
354.14401	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	354.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03874	1.2
54.81522	0.6
55.01805	0.9
55.05226	0.5
55.05455	9.8
56.04969	1.0
60.04443	0.5
61.02831	0.4
67.05424	4.6
69.03339	3.1
69.06979	7.8
70.06506	5.7
71.04872	0.5
72.08055	1.9
74.02206	0.4
76.03247	0.4
78.97384	0.5
79.05379	0.7
80.04903	0.7
81.03330	5.7
83.08530	28.1
84.04420	3.0
84.08054	6.3
85.02824	3.5
86.09625	4.4
86.34491	0.5
87.08011	1.0
91.05383	2.4
93.06963	1.1
94.06485	8.4
95.08459	0.5
97.02818	4.0
103.05422	1.0
105.06935	0.5
106.06487	2.5
108.08070	1.3
109.02804	6.3
110.05946	0.8
110.07124	2.6
111.08030	10.9
117.05769	0.5
118.06467	2.7
120.08033	2.0
122.05164	0.9
122.05972	14.1
123.06751	1.2
124.07549	5.7
127.03876	2.4
128.68887	0.6
129.09108	0.9
129.10173	2.4
129.80408	0.5
130.06485	100.0
132.08069	2.3
134.05971	45.3
135.09117	3.1
136.06143	1.0
136.07530	12.9
138.05508	0.7
139.07486	1.0
140.06998	4.1
142.06494	0.6
144.08075	2.7
146.05988	5.6
149.06027	0.7
149.07054	4.6
150.05470	79.1
152.07031	67.2
154.08597	2.6
157.07542	3.2
157.08603	3.4
158.08350	5.4
159.09142	7.1
159.11238	0.6
160.07516	0.8
161.07062	9.7
162.07816	3.1
163.08618	40.9
164.07074	2.1
166.07347	1.9
168.06519	3.9
169.07544	4.5
169.74619	0.6
171.09077	0.7
175.08237	1.0
175.09637	23.2
176.07016	0.8
179.08067	1.2
180.08029	3.3
181.09668	5.4
188.07040	2.8
189.06598	0.9
203.08038	0.7
204.08119	0.7
205.09665	1.1
206.08331	2.4
207.07585	8.7
217.05031	0.6
220.09877	1.3
221.10666	2.7
225.08647	19.5
225.99440	0.5
232.09882	2.5
241.03339	0.7
247.12169	1.9
248.09256	3.8
249.10141	23.1
250.10675	0.6
251.11534	0.6
260.09296	1.0
262.10855	1.0
263.11707	9.2
265.09998	0.5
267.11209	10.0
274.10928	0.7
275.11731	20.8
276.12302	0.7
279.11194	12.0
280.11981	4.2
281.12756	27.6
283.11606	4.5
292.14413	8.8
293.12799	13.2
301.12753	3.5
310.15424	17.3
319.13626	1.2
347.15744	0.6
354.09827	1.3
354.14343	28.7
355.14337	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	4.0
56.04965	6.8
56.49178	1.6
61.01065	1.9
67.05420	8.6
68.36180	1.7
69.03364	2.0
69.06979	6.6
70.06508	62.9
71.04898	2.2
72.08072	13.4
72.08421	1.7
79.05373	3.5
81.06966	3.2
83.05993	1.5
84.04431	11.2
84.08056	39.6
85.02826	3.0
85.08416	1.5
86.09620	29.0
88.03926	2.5
91.05399	11.1
92.10912	2.2
93.06992	2.3
94.06477	2.8
95.04901	2.3
95.08524	17.5
96.08838	2.2
97.02884	1.9
97.10091	1.6
98.97547	1.7
99.08011	2.7
102.05459	2.3
103.05396	7.7
105.06953	3.3
110.07111	12.3
113.09629	14.8
114.09953	3.1
116.07063	2.0
116.98547	3.7
117.06916	3.3
120.08060	24.9
122.05974	11.5
124.07530	3.9
129.10208	17.1
130.06493	100.0
131.04892	4.0
132.08069	1.7
134.05966	43.9
134.06912	2.3
136.07558	16.2
137.05960	25.7
137.13252	3.0
138.06334	7.3
140.06990	3.1
146.06020	3.5
149.07117	2.7
150.05478	82.4
151.38078	1.9
152.07045	57.5
154.08569	3.1
157.07550	3.9
158.08369	6.6
159.09175	13.5
160.19421	1.6
161.07089	7.6
163.08624	38.1
168.06558	2.4
169.07663	2.0
173.15327	2.9
177.07729	2.1
181.09665	4.0
192.16701	2.2
206.08293	3.0
207.07605	7.1
221.10628	2.1
225.08621	18.2
249.10188	24.2
253.47746	1.9
263.11792	7.8
267.11234	8.4
275.11658	21.0
279.11295	12.8
281.12717	21.5
281.44513	1.7
282.15399	2.1
292.14340	11.1
293.12863	15.0
310.15366	17.3
354.14407	30.8
354.19025	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	354.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50748	0.2
55.05436	0.2
56.96527	0.3
60.04441	0.3
62.06020	0.2
69.07027	0.2
70.06501	0.2
72.08073	0.5
75.05500	0.2
79.05392	0.8
84.04436	0.4
84.08054	0.4
85.02825	1.0
86.09627	14.3
88.19004	0.2
91.05406	0.4
93.06987	1.5
95.04926	0.2
97.02811	0.4
103.05408	5.8
107.04911	2.3
110.07109	1.9
120.08057	100.0
121.08392	1.3
130.04941	0.3
131.04887	2.6
132.10165	5.0
136.07469	0.2
139.06516	0.2
139.07521	0.5
143.11786	4.3
149.05934	0.8
157.08540	0.2
166.08600	22.1
167.08984	0.3
188.03743	0.2
189.04065	0.2
189.12305	3.5
234.04199	0.2
237.13141	0.2
255.14493	0.2
289.86935	0.2
307.98105	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	1.5
55.01823	5.5
55.05451	29.4
56.04969	1.7
56.96496	3.1
60.04439	1.0
63.08039	0.6
66.40930	0.7
67.05425	4.2
69.03350	9.4
69.06987	27.4
70.06506	26.7
71.04900	1.1
72.08070	5.4
73.02813	1.0
77.73743	0.7
79.05403	2.8
81.03334	11.2
83.08538	100.0
84.04427	4.3
84.08067	19.8
85.02830	9.2
85.06435	0.8
86.09619	9.7
87.08034	3.0
91.05413	3.7
93.06954	6.4
94.06492	3.0
95.04888	1.1
95.08530	5.1
97.02810	7.7
97.06472	1.1
98.97510	3.1
99.04362	2.7
103.05408	4.2
105.06995	0.8
108.04417	0.9
109.02823	12.0
110.07095	4.9
111.08033	33.2
114.72248	0.7
116.98605	1.3
117.37579	0.8
117.60043	0.8
119.08556	1.3
120.08064	18.7
120.08892	1.1
121.06465	3.8
121.08358	1.2
122.05966	5.4
123.06787	0.8
124.07548	1.4
127.03883	14.6
129.09209	8.1
129.10054	8.6
130.06494	30.1
130.08554	1.1
132.08098	1.1
134.05978	16.3
136.07570	7.0
139.07509	5.5
140.07018	0.8
145.02831	1.2
146.06038	1.5
147.04414	1.4
150.05490	23.7
152.07048	24.2
157.07539	1.1
157.08583	12.1
158.08347	1.6
159.09175	2.8
161.07086	1.7
163.08632	11.9
169.07597	1.0
169.09732	1.1
170.09619	0.8
175.09628	59.3
177.05482	1.2
181.09738	3.2
182.08014	0.8
192.22351	0.8
207.07652	3.4
225.08701	5.1
228.35551	0.8
248.09366	1.8
249.10280	6.8
263.11752	4.9
267.11249	1.7
275.11777	7.6
279.11279	4.1
280.11996	0.8
281.12814	8.7
283.11661	13.6
285.91614	0.8
292.14355	1.7
293.12814	4.1
301.12753	17.9
310.15289	5.4
319.13892	17.0
354.14401	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	354.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03872	0.4
55.01794	0.4
55.05449	11.7
55.71712	0.3
56.96501	0.5
57.03371	2.3
57.07008	1.6
59.04938	0.3
61.02851	3.3
67.05431	0.6
69.03351	4.7
69.06985	100.0
71.31098	0.3
73.02821	0.6
81.03335	2.2
83.08538	2.6
83.12820	0.4
85.02824	19.0
87.04399	0.4
91.03878	0.4
97.02808	4.1
98.33128	0.3
99.04395	0.5
106.88968	0.3
109.02835	1.3
111.10889	0.6
111.11662	19.2
116.98605	0.3
127.03847	2.6
129.12718	1.4
139.11180	2.0
145.05003	1.3
157.12193	14.7
175.13254	23.9
353.88449	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	0.6
55.01805	0.6
55.05449	8.2
56.04972	0.7
56.96478	0.7
57.03366	0.8
57.06994	0.9
59.04918	0.8
60.04436	0.6
67.05422	1.0
69.03349	4.6
69.06985	100.0
70.06509	9.2
71.04913	0.6
72.08065	3.3
73.02840	0.8
76.26373	0.5
76.56593	0.5
79.05406	0.9
81.03355	0.7
81.06969	3.0
83.04916	0.7
83.08534	2.1
84.04421	2.6
84.08076	5.2
85.02824	14.4
86.09628	6.9
91.05396	0.7
93.06970	1.3
95.08539	2.7
97.02814	2.7
97.06486	2.7
97.10099	2.3
98.97508	1.2
99.08018	1.1
105.06980	1.0
109.10124	0.6
110.07107	3.6
111.11662	47.8
112.08721	0.7
116.98562	1.0
120.08056	2.8
121.10087	6.0
127.03886	3.1
129.10190	2.8
130.06497	1.2
131.32979	0.6
137.05954	0.7
139.11156	38.0
144.27589	0.7
145.04883	1.2
157.12206	48.4
158.05959	1.0
158.12550	0.7
159.46762	0.6
163.06024	1.0
203.05273	1.1
217.08116	0.6
241.11485	1.0
266.08157	0.6
321.27786	0.7
326.47000	0.6
342.33606	0.6
354.19815	3.7
355.17047	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	354.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05435	8.4
57.06989	1.9
65.03862	1.4
67.05419	9.5
69.06990	9.4
71.08543	18.3
72.04424	20.7
79.05396	5.7
81.06969	18.0
83.08555	1.8
85.02796	2.1
91.05379	2.6
93.06941	7.7
95.04865	1.4
95.08519	13.4
99.07992	10.2
105.06979	3.2
107.08486	7.4
109.06435	6.8
109.10072	6.2
114.09160	1.5
119.08545	2.1
128.10612	1.3
133.10088	2.9
147.11713	2.2
148.03780	1.2
164.21918	1.4
165.12685	9.2
238.21700	9.5
261.15610	1.4
262.22311	1.5
291.23083	11.2
309.24185	2.3
326.85983	1.4
336.28879	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00270	1.6
55.05185	3.1
55.05454	83.3
57.07018	41.1
58.06554	1.4
67.05434	61.9
69.06991	100.0
71.08548	28.9
72.08048	2.0
79.05406	19.9
81.06982	79.9
83.08542	64.4
85.10107	9.5
86.05981	2.7
91.05415	15.0
93.06978	19.8
95.08535	91.4
97.06464	13.0
97.10101	39.3
98.09673	1.8
100.07562	8.4
105.06977	10.5
107.08531	16.7
109.06434	1.6
109.10109	33.0
111.08025	3.6
111.11672	13.2
114.09135	4.0
117.36926	1.7
119.08533	10.7
121.10116	14.9
123.11682	12.8
125.09573	3.7
128.10692	2.2
133.10124	10.6
135.11671	9.0
137.09616	2.9
137.13232	2.5
139.23650	1.8
147.11678	8.0
151.11211	2.4
161.13234	8.2
175.14812	6.3
177.16106	1.9
189.16411	1.7
193.15981	1.7
207.17471	1.6
212.20087	3.6
228.19656	2.2
229.18050	2.2
235.24049	1.8
248.44086	1.8
301.28900	6.6
319.29831	23.3
336.32440	15.1
354.33594	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	354.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42472	0.6
55.05445	1.2
57.07008	10.3
58.31122	0.7
63.68037	0.6
69.02229	0.6
69.06986	1.4
71.08537	5.9
74.05983	3.7
76.11089	0.7
80.76855	0.8
83.08537	0.9
85.10115	0.8
88.07561	13.7
88.11207	1.3
91.82764	0.7
97.10075	0.8
100.07509	0.7
102.09126	6.3
116.10683	1.5
169.97287	0.8
284.29388	33.3
295.29883	0.8
354.37222	100.0
355.28046	1.4
355.37506	4.2
359.93314	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1021
Annotation	Scopolin
Peak:m/z	Relative Intensity
53.45905	0.1
55.28341	0.1
57.29754	0.2
60.14222	0.1
64.90168	0.2
70.29559	0.2
75.49002	0.2
86.09568	0.2
88.72382	0.2
89.03802	0.3
91.71154	0.2
94.04089	0.2
95.04924	0.2
97.11101	0.2
103.14333	0.2
104.91141	0.2
105.03315	0.3
117.03356	0.2
118.65211	0.2
122.03580	1.3
133.02814	30.6
137.05937	7.3
149.05911	2.2
150.03123	1.3
161.02240	0.3
165.05411	3.3
172.07860	0.2
178.02567	15.9
193.04926	100.0
194.05225	2.0
200.21733	0.2
215.65915	0.2
266.47803	0.1
341.85132	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1019
Annotation	Scopolin
Peak:m/z	Relative Intensity
55.05441	0.3
56.04970	0.3
59.03298	0.1
59.04157	0.1
60.04454	0.2
61.01051	0.1
67.59612	0.1
69.03341	0.3
69.06974	0.5
70.06507	3.3
72.08075	1.5
74.05980	0.3
79.05399	0.1
81.06949	0.2
83.06017	0.2
83.08555	0.6
84.04417	0.8
84.08057	3.7
85.02814	0.6
86.09629	2.1
86.10423	0.2
88.03917	0.2
89.03833	0.3
91.05441	0.5
97.65440	0.1
103.05379	0.2
105.03335	0.4
110.07110	1.4
116.90437	0.1
117.03340	0.7
119.04893	0.2
120.08031	0.9
122.03592	1.7
129.10223	1.6
133.02812	29.1
134.03090	0.2
136.07541	0.6
137.05948	7.1
141.10266	0.2
141.30481	0.2
149.05940	2.5
150.03116	1.3
161.02286	0.3
162.08994	0.2
165.05431	3.0
178.02562	16.0
193.04924	100.0
194.05252	2.4
205.04924	0.3
239.00002	0.2
282.47726	0.2
355.13406	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82997	1.2
53.00256	2.8
56.82238	1.5
57.03371	30.9
58.61237	1.3
59.04918	2.9
61.02849	3.1
66.02634	1.5
69.03345	80.9
74.63264	1.7
75.04384	3.3
76.82014	1.6
81.03329	8.1
85.02826	100.0
87.04392	41.8
91.03881	1.6
92.10596	2.2
97.02818	58.2
99.04353	3.5
103.03881	3.2
109.02835	6.9
110.20112	1.5
115.03887	34.7
126.47642	1.9
127.03848	12.6
133.04924	36.3
145.04936	16.4
163.05971	3.3
167.23808	1.9
169.04878	1.8
198.84859	1.8
202.35719	2.1
263.15518	1.6
277.09152	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	355.1722
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
55.05433	0.9
57.06983	0.8
58.99670	0.8
69.06983	1.0
70.06516	5.7
72.08054	1.6
73.56430	0.8
81.06970	1.1
84.04433	0.9
84.08063	4.1
85.02829	1.4
86.09613	3.5
87.22619	0.9
91.05394	1.3
100.11185	1.9
105.06973	1.1
110.07112	1.5
113.76443	0.8
115.05373	1.0
119.08545	1.4
120.08073	1.6
121.56845	0.8
124.65020	0.7
129.10211	1.5
130.06471	1.0
137.05995	3.9
139.66406	0.7
139.78362	0.8
147.08022	3.4
161.05888	0.9
164.95119	0.7
167.07021	4.6
175.07533	6.0
175.11052	1.0
201.03650	25.8
203.05276	4.7
213.04240	1.1
231.05330	3.4
249.06461	1.9
355.17188	100.0
356.17505	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	355.1726
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
54.82244	0.5
55.05439	2.2
56.93870	0.3
56.96491	2.6
57.03374	0.6
59.53172	0.4
61.70053	0.4
67.05441	0.5
68.87849	0.4
69.03344	1.0
69.06972	1.0
70.06512	1.8
71.04896	1.1
77.82524	0.4
81.06994	1.1
83.08533	0.9
84.08064	2.1
85.02821	3.5
86.09639	0.9
91.05398	2.0
93.06983	0.7
95.08551	1.0
97.39192	0.5
98.97524	2.3
103.05401	1.0
105.06979	0.9
107.08556	0.8
109.10065	0.6
115.05442	0.8
116.98569	2.5
117.61604	0.5
119.08504	1.7
120.08025	1.1
128.02180	0.5
131.00177	0.5
131.04900	0.4
134.99657	1.0
135.08046	0.6
137.05930	2.0
137.09575	0.8
144.05704	0.5
147.08049	0.8
149.01157	0.5
152.07808	0.5
157.93817	0.5
161.06017	0.9
163.07532	0.5
167.06998	0.8
171.04594	0.6
175.07578	2.5
177.00748	0.7
193.05005	0.6
193.12148	0.8
195.82304	0.5
203.05257	2.9
203.06998	1.9
231.06451	2.1
239.09520	0.6
319.22562	0.7
355.17212	100.0
356.17575	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	355.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65324	2.2
55.05458	3.2
55.91493	2.0
56.96509	10.4
57.05461	1.9
57.07023	2.8
67.05428	5.9
69.06992	4.2
77.96870	3.7
79.05427	3.4
81.06993	13.1
85.34779	2.6
90.89526	2.7
93.06976	5.2
98.00315	2.7
98.97525	13.4
105.06979	5.5
107.08527	3.0
109.10148	3.4
111.23293	2.9
112.54740	2.4
116.98588	11.5
119.08548	3.0
123.08013	3.9
134.99657	15.6
144.75377	2.3
153.00648	3.2
163.02779	17.4
181.03847	15.6
190.95345	2.6
215.59073	2.3
226.91252	2.5
227.09988	3.7
285.10812	2.7
333.15851	3.6
350.16876	2.7
355.18536	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2815
Annotation	1-Linoleoyl-(2S)-glycerol
Peak:m/z	Relative Intensity
53.31690	0.5
55.05443	1.3
56.08808	0.5
69.06978	1.0
70.06496	1.6
80.03593	0.6
83.08551	0.8
88.07552	3.4
91.39425	0.6
99.33479	0.6
99.93754	0.6
106.08583	0.9
127.55464	0.6
140.11115	0.9
180.13896	0.6
271.96857	0.9
285.86795	0.7
308.33176	0.7
325.44244	0.6
338.34036	0.7
355.28116	100.0
356.28369	3.6
356.35162	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	355.2838
Annotation	1-Linoleoyl-(2S)-glycerol
Peak:m/z	Relative Intensity
53.03880	2.1
55.01814	2.1
55.05455	29.8
57.03364	4.1
57.07008	8.7
61.63544	2.0
65.03850	2.4
67.05132	2.5
67.05427	98.6
69.06986	34.3
79.05408	28.6
81.06978	100.0
83.08521	17.8
91.05421	22.1
93.06980	25.6
95.08533	82.8
97.06445	3.2
97.10104	9.3
105.06986	11.8
107.08557	15.6
109.10107	27.7
111.07997	2.3
119.08546	15.5
121.10091	13.0
123.11665	9.8
133.10107	11.9
135.11684	3.8
137.13231	3.2
147.11679	4.6
161.13284	3.2
163.14789	2.9
175.14830	3.5
191.31471	1.9
204.71649	2.0
245.22569	12.7
249.80324	2.2
263.23608	15.7
325.19308	2.2
337.27304	14.6
355.28128	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	355.2839
Annotation	1-Linoleoyl-(2S)-glycerol
Peak:m/z	Relative Intensity
55.05448	32.3
56.17747	1.9
57.03374	5.5
57.07005	10.0
62.68953	2.4
67.05431	96.4
69.06993	28.3
71.08563	3.1
73.12245	2.6
79.05402	26.6
81.06979	100.0
83.08531	20.0
91.05422	21.9
93.06985	32.9
95.04892	3.4
95.08537	89.0
96.59891	3.5
97.06464	3.4
97.10089	5.7
99.08010	2.3
105.06977	11.0
107.08536	20.7
109.10121	35.7
119.08552	13.1
121.10081	14.9
123.11676	12.7
133.10114	12.4
135.11638	3.1
137.13206	3.6
147.11708	5.3
149.13274	4.3
161.13179	4.9
165.16292	3.2
175.14761	5.5
179.17899	2.9
189.69304	2.5
245.22551	19.0
263.23636	18.0
314.59155	2.8
337.27216	11.2
355.28204	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	355.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05456	30.7
56.69810	2.7
57.03368	5.9
57.07007	15.4
61.27771	2.1
65.03860	4.7
67.05430	89.7
69.06984	41.6
70.85886	2.6
79.05416	26.7
81.06973	100.0
83.08545	15.1
85.06470	4.2
91.05403	20.0
93.06963	27.7
95.08528	83.3
97.10101	11.9
98.97527	2.3
105.06972	14.9
106.65293	2.5
107.08542	20.8
109.10108	37.9
110.03609	5.2
111.08039	3.4
111.11669	3.6
119.08523	5.8
121.10045	13.0
123.11655	12.5
125.06007	3.3
133.10065	19.6
135.11662	5.1
137.13249	4.0
147.11678	6.1
153.05466	5.2
161.13251	4.8
163.14827	3.2
175.15007	2.7
238.33829	3.0
245.22569	28.4
263.23578	25.6
337.27258	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	355.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72656	2.4
52.36387	2.8
54.81757	3.2
55.05455	28.1
57.03357	3.5
57.07003	6.1
67.05075	4.7
67.05424	100.0
69.06986	33.9
71.08544	3.8
79.05390	29.4
81.06969	99.8
83.08534	15.2
86.45943	3.4
91.05391	19.2
92.28651	3.1
93.06960	30.9
95.08527	82.8
97.10081	4.9
102.63575	3.0
105.06969	18.0
107.08554	15.7
109.10091	25.2
119.08533	22.7
121.10078	6.5
123.11637	5.7
128.27254	3.4
133.10074	15.9
135.11627	5.0
147.11664	5.2
149.13309	4.3
161.13173	6.9
165.16293	3.6
174.29817	3.1
180.32274	3.1
206.17493	3.3
212.58376	3.3
245.22607	13.4
263.23578	20.0
337.27319	18.1
355.33875	7.2
360.73221	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	355.2837
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.05445	31.5
56.96486	2.2
57.03365	4.3
57.06998	10.2
57.98129	2.1
61.85213	2.2
63.46871	2.6
67.05424	88.5
69.06973	34.6
79.05403	28.0
80.26258	2.2
81.06969	100.0
83.08538	21.0
85.06479	3.7
91.05401	17.2
92.10976	5.0
93.06971	26.6
95.08527	88.1
97.06446	4.1
97.10091	5.3
105.06983	15.8
107.08542	23.4
109.10091	30.3
119.08536	10.7
121.10110	17.9
123.11647	5.5
133.10107	12.0
135.11646	4.6
147.11638	5.7
149.13229	4.8
153.83134	2.9
161.13190	3.8
175.14801	3.3
245.22629	14.3
263.23596	17.2
337.27118	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05448	27.9
57.03362	3.4
57.06995	9.6
65.03876	2.3
67.05423	83.3
69.06976	28.5
71.04929	2.1
71.08520	3.2
79.05399	27.9
81.06968	100.0
82.07295	2.4
83.04843	2.0
83.08535	17.7
85.06400	1.7
85.10094	1.9
91.05412	17.7
93.06518	1.8
93.06970	28.7
95.08527	74.1
97.06446	8.7
97.10087	7.5
105.06971	11.7
107.08524	13.1
108.08807	1.8
109.10074	26.7
119.08522	9.0
121.10078	20.2
123.11647	17.6
129.02051	2.2
133.10077	10.3
135.11639	4.0
137.13194	3.7
147.11679	7.5
149.13170	3.5
161.13170	8.9
163.14778	2.6
165.16356	3.2
169.04213	1.7
175.14748	8.7
179.17818	2.3
245.22617	18.1
263.23590	21.6
268.94055	2.2
337.27444	17.0
344.63098	1.9
372.65668	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80447	1.7
52.39386	1.8
52.76401	1.7
54.64853	1.9
54.81822	2.3
55.01041	1.8
55.01781	2.4
56.04964	2.1
56.96492	4.7
57.03353	2.5
57.86102	2.1
60.78115	2.1
61.02853	4.6
69.03352	16.7
70.06498	4.2
75.71078	2.0
81.03319	3.6
81.06982	2.7
84.04408	3.1
84.08050	3.1
85.02826	26.1
95.08509	2.5
95.18320	2.0
97.02803	10.6
98.97485	3.5
99.07971	3.2
103.05371	2.8
109.02799	2.4
110.07093	5.4
116.98525	3.5
120.08043	2.6
127.03817	4.4
130.06499	18.0
131.04865	13.8
134.05975	4.9
134.99561	4.1
136.07544	5.4
137.65913	2.2
139.68025	2.3
148.03888	22.8
148.07542	33.8
173.18402	2.4
176.07019	100.0
177.07379	2.5
194.08078	46.3
202.70418	2.3
238.11223	2.2
356.13187	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	356.2218
Annotation	Nakijinol B
Peak:m/z	Relative Intensity
53.42711	2.2
55.05447	3.8
56.96488	3.8
69.06959	3.2
70.93607	2.5
76.26819	2.3
81.06993	3.5
89.98137	2.3
91.05396	4.1
98.97509	14.5
98.98910	2.8
105.06968	30.7
109.10123	3.4
116.98558	12.9
117.06980	2.8
119.08493	14.1
119.23754	2.6
121.06438	11.1
128.06171	9.8
132.05702	3.1
133.06438	4.3
133.10059	18.1
134.99606	16.8
135.07997	3.6
144.41289	2.5
145.06558	4.1
146.07275	27.8
147.08025	43.1
161.09561	60.8
181.03712	2.6
185.09549	2.6
225.12666	3.4
244.59862	2.6
250.82384	2.8
274.97144	3.9
292.98221	5.3
326.17426	3.5
349.77341	2.7
356.22156	100.0
357.22488	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	356.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03614	2.8
53.23729	2.4
55.01799	4.5
55.05441	14.9
56.96481	4.7
57.07010	4.6
57.24538	2.8
62.05715	4.9
62.06014	100.0
67.05418	12.0
69.06977	12.8
71.04892	3.0
71.08538	4.1
79.05383	4.0
81.06960	16.6
83.04873	2.9
83.08518	4.3
85.10099	3.4
91.05391	6.1
93.06963	7.3
95.04891	3.4
95.08498	11.9
97.06458	2.9
98.97520	6.4
105.06944	7.3
107.08553	4.8
109.10098	5.4
111.04348	3.2
111.08041	4.2
116.98556	19.1
116.99303	3.2
119.08529	4.6
121.10097	3.8
133.10040	3.3
134.99620	17.0
141.38972	3.2
147.11635	4.5
159.11652	3.4
165.12703	6.3
208.16974	5.6
274.97339	3.3
288.49777	3.2
292.98422	10.9
310.20786	3.1
320.25800	49.7
321.47467	3.1
334.50763	2.9
338.26758	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.352
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
55.05190	1.0
55.05452	18.7
57.07003	3.6
58.06529	0.7
63.31665	0.4
67.05413	1.2
69.06989	12.6
70.06508	21.6
71.08532	0.9
78.67752	0.5
81.06998	0.7
82.11195	0.4
83.08539	5.4
83.15212	0.5
85.40614	0.5
85.52912	0.5
87.37782	0.6
88.07552	26.5
92.10897	1.0
97.10107	2.0
102.09106	6.8
106.08614	12.7
117.89109	0.5
164.94330	0.5
248.61913	0.5
262.88571	0.5
312.32559	1.0
338.34174	9.0
356.35156	100.0
357.35565	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	357.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48315	2.0
55.01812	27.3
55.05444	5.1
56.96494	3.5
57.15022	1.9
65.03854	3.9
66.04633	3.4
67.05409	3.9
69.03341	3.0
69.06986	3.7
79.05398	5.2
81.06967	11.0
82.08002	2.0
83.08547	2.6
85.02825	2.7
91.05386	12.4
93.03290	2.0
94.04099	11.9
97.10082	3.4
98.97487	13.3
103.05391	9.9
105.06986	4.1
107.04890	3.8
107.08506	2.5
107.33721	2.4
109.06445	9.5
111.04379	8.9
113.69026	2.4
114.03674	13.4
115.05381	12.4
116.98550	13.8
117.03296	3.7
119.04865	3.1
120.02993	2.2
122.03588	29.2
125.05927	4.2
125.09570	3.8
130.04086	4.0
131.04877	13.2
133.06453	4.1
134.07248	2.0
134.99596	16.1
137.05952	100.0
143.04865	4.5
144.05649	2.4
145.02737	2.9
146.03539	9.7
147.04372	10.5
149.05945	4.3
151.03816	2.9
153.00606	2.4
153.70290	2.0
155.04829	9.5
160.05246	3.3
161.05956	21.2
162.06613	2.5
165.05414	24.8
165.06950	10.6
171.04434	2.3
172.05159	2.9
175.07458	4.4
177.05409	13.4
177.06822	2.6
178.07744	4.4
179.08478	9.8
181.06403	5.1
187.07506	9.5
189.06929	20.7
190.07722	21.1
191.08559	27.0
194.07283	3.1
195.08081	2.9
202.07666	8.9
203.06911	3.9
205.06384	5.0
206.07153	5.0
207.07919	19.0
208.08766	9.1
215.06909	9.3
217.06392	8.4
218.07207	43.6
219.08006	50.8
220.08652	3.4
221.05997	7.6
222.06689	2.6
223.07420	3.8
229.06361	18.6
231.07951	3.3
234.06653	27.8
235.07498	34.6
236.08200	17.4
237.05307	3.6
237.08934	4.6
241.35449	2.4
245.05814	2.9
246.06717	32.1
247.07471	60.2
248.08142	13.5
249.09024	15.3
250.06136	3.0
250.09753	2.9
251.07040	8.9
251.10297	2.9
252.07759	2.8
257.05994	7.4
258.06696	3.9
259.07529	4.4
261.09015	38.0
262.06125	5.2
263.04593	2.5
263.06958	29.7
264.07687	22.8
265.08441	12.5
266.09436	2.2
267.10074	4.7
269.08041	4.0
274.06168	17.6
274.97455	10.3
275.06967	24.6
276.07742	3.0
277.08505	22.9
278.09280	12.0
279.09988	20.4
281.08096	4.3
289.08521	39.2
290.09192	8.7
291.06390	8.0
292.07159	8.4
292.98431	8.1
293.07965	2.9
294.08792	8.4
295.09476	10.5
306.08728	14.9
307.09549	63.1
308.10172	4.9
309.07605	3.8
309.11057	9.9
321.11127	52.0
327.12186	15.6
330.13657	4.1
339.12177	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36739	7.1
55.05448	12.3
69.06973	18.4
79.05395	35.6
81.06961	20.5
83.08493	10.2
85.11050	8.5
88.49339	9.3
91.05407	47.0
93.06985	11.2
95.04903	13.1
95.08510	15.3
97.42791	8.9
98.97530	10.8
101.52618	10.6
102.84807	8.5
105.06969	60.8
107.04874	59.5
115.05390	35.4
116.98592	19.1
117.06908	17.9
119.04913	8.8
119.08505	9.3
121.06416	13.0
121.59514	8.9
128.06148	87.0
133.06520	15.7
134.99615	19.8
136.96657	9.1
143.08505	70.4
145.06432	36.3
146.07260	9.8
160.08839	9.1
161.05997	16.7
163.03828	20.6
163.07368	10.8
166.06161	10.6
167.07037	72.6
171.07968	70.6
173.05966	14.3
175.07526	11.1
175.11131	10.3
177.09071	13.0
178.06230	21.1
181.08505	21.8
187.07454	17.4
188.08278	99.2
193.08563	18.8
203.10614	100.0
254.87358	9.7
265.27692	9.1
357.16870	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	357.2008
Annotation	20-carboxy Arachidonic Acid
Peak:m/z	Relative Intensity
54.26224	1.3
54.81573	1.5
61.43589	1.2
64.65942	1.2
69.06971	1.7
76.52386	1.5
77.96873	2.2
79.05414	1.4
85.71839	1.4
95.08521	1.7
98.97501	3.6
109.10108	1.5
116.98544	8.3
121.06539	1.7
128.10930	1.6
134.99574	6.9
153.00734	2.3
219.70419	1.6
220.03131	1.5
229.11801	1.9
274.97342	1.8
282.25421	1.5
292.98648	2.1
316.19788	2.4
357.20023	100.0
358.20120	2.3
373.40042	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03851	0.7
55.01824	0.6
55.05444	4.8
56.04964	2.6
56.96481	0.8
57.03363	1.1
58.55142	0.6
59.83682	0.6
60.04441	1.3
60.05573	15.4
67.05422	18.2
68.04922	0.8
69.03348	0.8
69.06979	1.3
70.06503	92.0
71.04896	3.2
71.06818	0.8
72.08061	16.3
73.66962	0.7
74.05966	0.8
79.05412	1.4
81.06973	15.0
83.04897	0.8
84.04410	6.9
84.08065	11.6
85.02820	1.3
85.06455	0.8
86.09619	13.4
91.05392	1.2
93.06952	4.5
95.04886	4.2
95.06006	3.7
95.08527	9.2
97.07574	3.8
98.05962	1.1
98.97511	2.5
101.07077	1.0
102.05479	1.0
105.06974	0.9
107.08518	1.7
109.06425	2.6
109.10098	54.9
110.07096	6.8
112.08670	18.3
113.07055	3.2
114.10236	6.5
115.08636	7.7
116.07034	18.2
117.06946	1.0
119.08518	3.7
120.08041	3.9
121.10069	0.7
127.08654	0.8
129.10205	5.1
130.09714	9.8
134.99568	1.1
136.11169	1.0
137.05991	1.2
137.09579	82.2
149.09557	0.6
154.12215	1.2
155.10585	0.9
157.10835	2.5
158.09229	19.9
165.09070	41.3
175.11847	21.0
177.05418	1.0
182.11697	2.9
195.06242	0.8
200.12830	0.7
252.16011	0.8
276.17007	4.1
294.18231	0.8
298.16342	2.9
304.16452	1.0
339.20313	1.3
340.18726	2.6
344.53940	0.7
357.21231	100.0
358.21555	1.5
366.23764	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01799	25.5
55.05444	42.2
56.96498	16.7
66.96745	8.7
67.05424	48.2
69.07005	14.3
69.84269	11.2
79.05393	21.9
81.06956	70.1
83.04894	12.4
91.05377	17.4
93.06969	59.5
95.04859	9.5
95.08537	23.4
98.97502	71.2
105.06973	16.2
107.08540	15.5
109.10061	16.7
111.08033	39.4
116.98543	100.0
119.08519	16.3
121.10069	14.6
122.02715	9.2
133.10101	13.4
134.99620	97.7
149.13240	13.5
151.11208	9.4
153.00609	20.3
165.12646	10.2
180.09769	10.3
212.08731	10.5
212.29706	10.3
218.44382	9.1
274.97424	48.5
277.21527	83.4
292.98459	50.5
295.22626	91.2
303.23215	11.1
310.95844	12.8
357.19965	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	357.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20625	2.5
54.81232	2.8
55.05450	71.8
57.03362	12.2
57.07009	25.9
60.05127	2.5
64.32959	2.5
65.03870	2.5
67.05433	64.3
69.06989	100.0
71.08549	5.6
71.92577	2.6
72.09162	2.7
74.90032	2.8
79.05399	33.6
80.60475	3.2
81.06975	68.4
83.04871	2.8
83.08541	63.8
85.10119	4.5
86.07780	3.2
91.05406	4.8
93.06976	36.7
95.08528	71.1
97.06482	11.1
97.10090	27.5
103.92673	2.6
107.08532	19.1
109.10101	22.2
111.08044	4.9
111.11689	3.4
116.42504	2.6
121.10121	41.1
123.11651	5.9
128.21857	2.8
135.11674	30.0
148.32471	2.8
149.13240	12.1
167.14333	3.6
247.24091	20.3
265.25150	36.6
290.95975	3.2
298.73111	3.0
317.20963	12.9
339.28787	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	357.2995
Annotation	MG(0:0/18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
53.63893	3.4
54.17903	3.5
54.48475	3.2
54.81462	3.9
55.05449	91.9
56.42554	3.4
57.03358	18.2
57.07014	36.7
61.23280	3.5
67.05422	93.4
69.06984	100.0
71.08528	20.0
79.05399	48.0
81.06971	71.9
83.05494	3.5
83.08533	67.9
91.05366	5.2
92.10990	5.1
93.06970	61.5
95.08527	75.2
97.06468	8.8
97.10091	36.4
107.08531	31.8
109.10107	35.2
111.08054	7.3
111.11694	7.5
118.63378	4.0
121.10098	45.6
121.56527	4.3
123.11639	4.2
125.47105	4.0
135.11633	40.7
137.13138	4.8
139.11169	4.9
149.13153	15.8
163.14777	4.7
247.24135	20.0
265.25165	57.4
339.28754	36.3
355.79822	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	357.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09587	1.5
53.03876	3.0
54.88840	1.8
55.05195	2.7
55.05451	76.7
57.03359	12.8
57.07013	32.8
63.80250	1.6
64.96999	1.9
66.93769	1.8
67.05083	3.0
67.05424	69.1
69.03336	2.3
69.06985	100.0
70.06493	8.4
71.04893	2.3
71.08539	14.5
78.61462	1.9
79.05397	41.8
81.06974	72.2
83.08535	72.6
85.06444	3.5
85.10100	9.7
86.85102	1.9
88.07532	9.3
91.05385	2.1
93.06962	43.3
95.08523	73.9
97.06445	12.7
97.10092	33.2
99.07995	2.0
102.09058	1.9
106.08616	4.9
107.08511	30.5
107.83421	2.0
109.10097	33.8
111.08040	8.4
111.11655	10.2
121.10094	50.7
123.11627	10.8
135.11655	32.1
137.13234	3.0
149.13225	11.6
163.14749	2.4
165.06557	2.3
165.16350	3.3
170.27090	2.0
179.54277	2.2
191.17862	2.4
201.11157	2.0
216.18295	2.3
247.24126	32.4
265.25198	43.8
278.13046	2.1
280.15710	2.2
283.25916	2.5
339.28836	37.9
339.33167	2.6
339.34128	2.2
356.35007	17.5
357.35510	45.7
361.29150	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	357.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96631	3.3
52.63322	2.6
53.03881	2.4
54.81737	2.4
55.05446	89.3
55.20197	2.3
57.03357	7.3
57.07004	26.8
63.95360	2.3
66.69574	3.3
67.05427	80.6
69.06609	4.1
69.06984	100.0
70.05524	2.6
71.08535	13.2
79.05399	39.9
81.06970	77.3
83.08535	57.1
93.06969	58.6
95.04860	2.8
95.08533	70.8
97.06461	15.5
97.10107	30.9
106.41144	3.0
107.08527	28.9
109.10119	31.1
111.07977	5.1
111.11637	6.2
115.04488	2.9
121.10076	47.7
123.11655	12.5
135.11642	39.3
149.13248	15.0
151.14853	3.3
176.02339	2.8
206.99927	3.2
231.67072	3.1
247.24214	28.5
265.25159	33.5
339.28894	39.6
345.26227	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	357.2995
Annotation	MG(0:0/18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
55.05227	4.4
55.05452	90.2
55.57452	2.9
57.03353	13.7
57.07001	20.9
67.05429	69.8
69.06990	100.0
71.04877	2.9
71.08534	17.6
79.05399	39.5
80.76034	3.4
81.06971	84.3
82.11669	3.4
83.08543	65.2
91.05394	3.0
93.06979	35.7
95.04923	4.1
95.08531	66.1
97.06457	18.6
97.10094	31.1
99.07961	4.5
106.09232	3.2
107.08533	25.6
109.10101	31.3
111.11646	4.9
121.10107	47.2
123.11665	8.6
135.11650	34.5
138.32637	3.4
149.13234	8.6
163.14816	5.3
211.87099	4.3
230.42523	3.3
247.24113	25.4
265.25198	43.7
270.11301	4.3
339.28906	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34248	2.9
55.05451	95.4
57.03365	8.2
57.07013	43.8
64.33500	3.1
64.48661	3.0
67.05079	3.6
67.05428	71.7
67.28294	2.8
69.06987	100.0
70.06499	19.7
71.08554	17.4
71.61669	3.2
73.25038	3.1
77.65201	3.4
79.05402	38.6
81.06969	84.5
83.08540	69.2
85.10098	3.8
88.07551	15.3
91.05411	3.5
93.06974	46.0
95.08532	78.2
97.06468	12.8
97.10103	33.9
101.85885	3.2
106.08579	13.1
107.08544	31.7
109.10091	30.2
111.08060	5.4
111.11651	4.5
121.10108	49.7
123.11626	6.9
125.82085	3.7
135.11647	42.2
149.13196	7.5
151.14754	5.9
247.24005	27.9
265.25192	57.8
339.28818	40.0
357.35257	5.7
358.36658	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	358.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58826	0.5
51.23721	0.5
55.01798	0.6
55.05442	0.9
55.77205	0.4
56.04958	2.6
57.72297	0.4
60.04447	0.5
67.05444	0.5
68.04939	0.7
69.03341	0.5
69.06979	3.0
70.06506	100.0
71.06834	1.1
72.08060	9.2
83.06027	2.0
84.04422	32.8
84.08060	10.5
84.60991	0.5
85.02816	1.4
86.09623	52.0
87.09956	1.0
88.03872	0.7
91.05396	0.5
96.04401	1.1
97.02807	0.7
98.97529	0.5
102.05471	16.2
110.07108	5.5
112.08629	1.0
113.07066	1.1
116.07031	64.5
120.08023	0.7
129.06546	4.9
129.10196	4.6
130.05022	0.7
132.10161	1.1
134.99588	0.7
136.07547	1.2
139.03899	1.2
141.06563	3.3
144.08046	1.1
152.10617	3.0
156.08060	4.1
170.11734	3.3
196.14346	0.7
197.12831	9.2
197.14639	1.0
199.10716	3.9
215.13849	16.4
215.15857	1.1
225.12268	1.2
227.10217	4.4
229.09636	0.8
243.13351	6.6
292.71399	0.6
292.98340	0.8
340.16083	2.1
358.19385	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	358.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57236	0.4
57.06737	0.6
57.07010	12.7
58.06542	0.4
62.06012	0.6
70.06149	0.8
70.06506	18.5
71.08531	4.9
85.10092	1.1
88.07546	23.8
92.10300	1.0
102.09112	6.5
106.08604	13.1
122.70393	0.5
135.77425	0.5
141.15018	0.5
269.66608	0.5
314.34238	0.6
340.35672	9.9
358.36694	100.0
359.37009	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1696
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03892	0.8
53.79800	0.7
54.00433	0.5
55.01802	4.1
55.05445	2.9
56.04966	1.6
56.96495	1.2
57.03367	4.7
59.04927	1.2
60.04443	1.2
60.72083	0.7
61.02861	5.9
65.03867	0.8
67.05424	4.6
69.03345	16.3
69.06988	4.9
70.06507	21.8
71.04896	1.1
72.08070	9.4
73.02820	2.9
74.05973	1.6
75.05522	1.0
79.05416	3.6
81.03326	5.6
81.06970	5.0
83.04936	0.7
84.04419	8.6
84.08067	15.9
85.02824	52.0
85.06467	0.9
86.09622	45.9
87.04376	1.6
88.03909	1.6
91.05402	13.1
93.06969	16.0
95.04917	5.0
95.08534	1.7
97.02818	13.4
99.04366	1.6
99.56638	0.6
102.05463	1.5
103.05401	3.8
104.42410	0.7
105.06976	15.9
107.08532	42.7
109.02842	4.6
109.06458	5.9
109.10102	4.2
110.07087	6.3
112.08703	0.9
115.03944	0.9
116.07037	1.3
116.98585	0.8
119.04888	2.8
119.08549	6.5
120.08062	4.8
121.06468	5.5
121.10091	0.8
123.04405	1.1
123.08035	1.5
123.11684	1.6
127.03883	13.2
129.10194	8.0
130.04994	1.1
130.06450	1.1
131.04903	3.8
131.08548	1.0
132.10149	1.1
133.02733	0.8
133.06415	0.9
133.10089	45.5
135.07986	1.3
135.11652	34.5
137.05930	7.0
137.09598	4.1
143.08611	1.2
143.11723	5.2
145.04951	7.5
145.06456	0.9
151.11140	3.0
156.07687	0.8
159.09178	1.0
161.06044	0.9
161.09569	20.5
163.07446	1.6
167.07019	1.2
170.06004	1.0
171.11243	0.8
175.07500	1.5
177.09042	1.4
179.07233	2.1
179.10626	58.6
187.07393	1.1
189.12346	4.1
197.11687	100.0
198.12010	0.9
359.08826	1.4
359.13046	24.4
359.17007	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	0.4
54.81726	0.3
55.01809	3.9
55.05452	4.8
56.04973	1.8
56.96488	0.6
57.03366	3.2
57.07019	0.4
60.04467	0.5
61.02846	1.9
64.33176	0.4
66.91973	0.5
69.03345	10.7
69.06985	8.1
70.06141	0.6
70.06506	13.8
71.06824	1.8
72.08064	83.5
73.02820	1.6
73.08356	0.4
74.05981	0.5
79.05401	0.4
81.03326	0.9
83.06007	1.1
84.04424	7.7
84.08064	8.7
85.02823	20.6
85.04755	0.7
86.09621	100.0
87.09954	0.9
88.03906	0.5
91.05400	1.7
97.02813	7.7
98.97533	0.6
99.04372	2.1
100.03928	0.6
101.02358	1.3
102.05489	1.7
103.05329	1.4
109.02831	1.8
110.07128	4.2
112.08659	0.7
113.05939	0.7
115.03889	0.5
116.07040	3.9
116.98563	0.5
117.07349	0.6
119.04849	0.5
120.08045	0.8
127.03869	16.9
129.06531	0.9
129.10176	4.1
130.04926	0.5
131.04872	3.7
136.07545	0.7
137.05960	0.9
143.11775	12.5
145.03838	0.7
145.04912	9.4
157.12068	0.6
157.13327	14.1
159.42841	0.4
161.05888	0.6
162.05342	0.5
163.05913	2.8
163.07370	1.0
171.11214	5.6
175.10738	17.1
181.06395	0.5
185.12796	15.9
194.07288	0.9
195.57741	0.5
196.14365	0.7
197.12840	0.6
200.16275	0.5
215.13826	0.8
216.14206	0.5
222.36702	0.5
223.07536	3.5
227.10097	0.5
239.17450	1.8
246.14374	1.0
251.06801	0.6
269.07895	0.6
284.19492	2.3
344.34271	0.5
359.12790	2.3
359.22571	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86289	0.6
55.01810	5.3
55.05445	10.8
56.04974	8.1
56.96491	1.5
57.03367	4.6
57.65691	0.6
60.04452	3.1
61.02845	3.0
62.65725	0.6
65.03854	0.7
67.05424	3.0
69.03342	14.4
69.06975	5.3
70.06506	26.4
71.04913	0.9
71.06831	1.3
72.08067	98.4
73.02823	3.3
74.05984	1.0
75.77667	0.7
81.03327	1.2
83.04922	3.8
83.06020	72.1
84.04424	75.9
84.08060	20.9
85.02824	25.9
85.06393	0.8
86.09623	100.0
87.04331	0.7
87.09946	1.4
88.03910	3.4
91.05400	3.1
93.06960	1.1
95.04899	1.2
95.06004	0.8
96.04385	0.7
97.02817	10.0
98.05961	1.1
98.97524	0.9
99.04372	3.2
101.02328	1.8
101.05961	1.4
101.07075	13.8
102.05473	5.6
103.05424	0.8
105.06941	1.3
109.02811	1.3
110.07123	8.8
110.09628	3.7
112.03953	0.9
112.08691	1.8
113.05961	4.9
115.08656	1.1
116.07003	7.0
116.98599	0.9
117.07368	1.5
118.08611	5.9
119.06025	2.7
119.08521	1.1
120.08047	4.4
127.03878	17.1
129.06522	8.7
129.10156	9.2
130.04868	0.8
130.06477	1.2
131.08522	1.3
131.11768	0.9
131.69489	0.8
132.10167	31.3
134.99661	0.8
136.07539	1.6
137.05936	7.5
138.09111	32.6
141.06581	1.1
143.11794	1.0
144.05585	0.8
145.04935	8.1
145.10089	0.9
148.06274	4.1
149.07065	3.8
151.03871	2.9
152.04253	0.8
155.06952	0.9
155.11757	8.9
157.13287	0.9
163.06047	1.4
165.06604	4.1
173.13011	1.3
175.07506	1.3
179.08157	1.3
182.12840	50.6
183.11243	48.4
185.12917	0.8
187.07500	2.8
196.14366	5.3
197.12752	5.7
200.13908	14.5
201.12325	1.3
210.12337	8.1
210.32413	0.8
211.10756	3.8
214.15378	0.9
215.13866	1.5
225.12257	0.9
228.13408	7.4
231.17007	0.9
242.14995	1.1
287.09219	1.1
341.21790	19.8
342.20074	3.2
359.14105	1.5
359.22766	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92664	0.7
53.03878	1.0
55.01814	13.8
56.42034	0.7
57.03376	14.4
61.02861	6.4
69.03348	42.3
71.01285	1.2
71.04910	1.5
73.02838	8.0
80.23493	0.9
81.03340	6.2
83.01252	1.1
85.02830	100.0
91.03893	0.8
97.02826	33.2
99.04393	10.9
101.02322	9.1
109.02831	6.2
115.03880	4.8
127.03882	69.2
145.04948	34.8
163.05983	10.3
228.81664	1.0
240.80403	0.9
367.65912	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13937	0.6
53.03882	1.1
55.01806	13.3
57.03375	12.9
61.02856	6.5
69.03348	45.5
69.95430	0.8
71.04904	1.9
71.05511	0.8
73.02840	8.3
74.52126	0.7
81.03340	6.3
82.62323	0.9
85.02827	100.0
86.09589	1.3
87.04427	1.0
91.03829	0.8
97.02820	36.6
99.04389	10.5
101.02317	10.1
109.02823	6.5
115.03896	5.6
127.03874	66.8
133.04979	1.1
145.04936	34.1
149.84804	0.9
162.16949	0.8
163.05988	9.9
180.08618	1.6
249.68246	0.8
268.06946	0.8
359.90643	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2129
Annotation	Leu-Leu-Asp
Peak:m/z	Relative Intensity
55.01805	2.5
55.05446	0.4
56.04974	0.3
57.03375	2.4
60.04460	0.3
61.02854	1.3
64.38492	0.3
67.05415	0.5
69.03347	9.1
69.06987	15.7
70.02876	0.6
70.06197	0.2
70.06512	3.1
71.01292	0.3
71.04893	0.3
72.08061	0.7
73.02827	2.3
73.03929	0.5
74.02348	0.4
75.04847	0.3
76.14006	0.3
79.05401	0.4
81.03320	1.4
81.85352	0.3
84.08057	1.8
85.02825	19.5
85.03929	2.4
86.09624	100.0
87.09953	1.2
88.03372	0.7
88.03914	21.3
91.05415	1.2
96.08054	7.5
97.02821	8.4
98.02335	5.7
98.97498	0.4
99.04388	2.5
101.02311	1.3
105.06981	0.6
107.04904	0.3
107.08533	2.0
109.02823	1.3
109.06479	0.4
110.07108	0.7
110.09633	2.6
112.11187	0.5
113.10744	2.6
115.03899	0.5
115.04978	0.5
117.06958	0.8
118.49661	0.3
120.08051	0.5
127.03866	13.1
129.10132	0.3
130.06526	0.3
132.10161	3.0
133.06059	1.9
135.08037	6.4
137.05905	0.3
138.09103	3.4
141.10197	14.4
142.08635	2.2
142.17888	0.3
145.04935	7.6
154.84767	0.4
155.11729	1.3
156.10172	27.1
163.05965	1.7
163.07509	1.9
166.08597	1.4
181.08496	0.4
183.11304	4.3
184.09674	2.7
188.60143	0.4
201.12309	68.7
202.12581	0.7
229.11790	12.6
245.18507	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2121
Annotation	Asp Leu Leu
Peak:m/z	Relative Intensity
52.46679	0.3
54.81810	0.3
55.01806	2.3
57.03359	1.8
58.57998	0.3
59.10041	0.3
69.03349	6.3
69.06983	2.0
70.06513	0.7
73.02836	5.8
79.05428	0.3
84.08068	0.7
85.02832	15.1
85.03943	2.1
86.02337	0.7
86.09628	100.0
88.03921	14.9
91.26339	0.4
96.04408	0.4
96.08050	3.9
97.02834	5.3
98.02350	4.9
99.04360	1.3
100.03909	7.2
101.02307	0.7
107.08540	0.8
109.02864	0.7
109.06466	0.6
110.09648	1.4
113.10723	4.5
115.03889	0.5
120.08107	0.5
127.03863	8.9
127.04826	0.6
132.10179	4.0
135.08018	3.4
138.09116	5.4
141.10205	14.8
142.04955	0.6
142.08627	0.9
145.04936	4.2
145.05934	0.4
155.11769	0.7
156.10182	15.3
163.06038	0.7
163.07468	0.6
181.08607	0.5
183.11250	5.8
184.09631	4.6
193.05057	0.6
201.12312	60.4
229.11794	13.7
245.18681	0.7
357.56473	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00248	0.3
53.03881	0.3
54.49731	0.2
55.01810	5.3
55.05441	0.4
56.04969	0.4
56.96498	0.4
57.03374	5.5
58.06536	0.2
60.04443	0.2
61.02857	2.1
64.48603	0.2
66.21352	0.2
67.05426	0.4
68.04945	0.2
69.03348	19.0
69.06986	15.8
70.02867	1.0
70.06509	6.1
71.04908	1.3
72.08076	1.3
73.02830	3.3
73.03938	0.8
79.05395	1.8
81.03330	2.6
81.06958	0.4
83.01241	0.4
84.04427	0.9
84.08063	2.8
85.02827	40.1
86.03170	0.3
86.09625	100.0
87.04408	0.3
87.05522	0.8
87.09505	0.2
87.09961	2.1
88.03912	20.1
91.03872	0.3
91.05410	2.1
93.06976	0.3
95.04919	0.4
96.07578	0.2
96.08055	8.0
97.02820	14.7
98.02341	5.1
99.04379	4.4
100.03880	0.4
100.11169	0.4
101.02312	3.3
103.05370	0.3
105.06982	0.9
107.04877	0.7
107.08534	4.6
109.02819	2.9
109.06454	1.2
110.02354	0.8
110.07098	1.4
110.09629	2.6
112.08644	0.2
112.11176	0.3
113.10723	2.6
115.03854	1.4
115.05011	0.3
115.05494	0.7
116.03420	0.2
116.06988	0.2
117.06947	2.4
119.05991	0.2
120.08060	1.6
124.03892	0.2
124.07547	0.2
127.03876	26.9
128.04263	0.4
129.10197	1.4
129.53423	0.2
130.06525	0.3
131.06870	0.2
132.10149	3.9
133.06067	1.9
135.08020	12.8
137.05939	1.0
138.09132	3.4
141.10202	15.1
142.08609	3.3
143.11832	0.3
145.04935	14.2
146.05353	0.3
155.11726	2.3
156.10173	24.0
163.05994	3.1
163.07503	2.6
166.08609	1.8
171.11165	0.3
180.08607	0.8
181.04916	0.2
181.08490	2.3
183.11243	5.1
184.09691	2.9
184.11343	0.3
200.13933	2.3
201.12314	70.2
202.12660	0.8
212.09038	0.2
226.01784	0.2
227.17584	0.2
228.13486	0.4
229.09473	0.4
229.11780	13.3
245.18495	0.7
289.09329	0.3
298.11588	0.2
319.07867	0.2
360.17206	0.6
370.62576	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2123
Annotation	Glu-Ile-Val
Peak:m/z	Relative Intensity
53.03861	0.3
54.19305	0.3
55.01807	2.3
55.05452	10.4
56.04972	2.3
56.32913	0.3
56.96474	0.3
57.03371	2.7
57.05761	0.5
61.02851	0.6
69.03346	6.6
70.06497	0.8
72.08068	100.0
73.02811	0.8
73.08383	0.8
74.05992	2.8
78.48132	0.4
81.03335	0.6
83.05991	0.6
84.04429	7.0
84.08067	20.4
85.02827	15.2
85.03345	0.6
85.08395	2.8
86.09626	95.0
87.09972	0.6
97.02826	5.0
99.04379	1.8
101.02312	1.7
102.05465	3.3
109.02789	0.6
110.07123	1.8
114.09096	0.5
118.47346	0.4
127.03871	8.8
129.08665	0.4
129.10194	8.7
130.05011	3.7
130.06477	4.8
130.10529	1.0
140.07018	0.5
145.04935	5.3
146.05974	1.8
148.06015	10.0
157.07558	2.3
163.06000	0.8
169.07541	0.6
183.14915	0.6
185.16438	23.5
188.07037	1.1
213.15939	16.8
228.17085	0.6
230.11371	0.7
243.09277	0.6
255.08902	0.6
256.09781	2.3
257.10522	0.6
261.14404	7.5
269.10608	3.4
270.11234	0.6
271.12119	1.8
281.10654	1.0
282.11362	2.5
298.13229	0.5
327.10938	0.6
359.26501	0.8
360.21014	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2126
Annotation	Glu-Ile-Val
Peak:m/z	Relative Intensity
50.30191	0.4
53.03886	0.6
54.81452	0.4
54.81973	0.4
55.01814	6.3
55.05450	10.0
56.04966	3.5
56.96493	0.8
57.03366	5.6
57.05745	0.8
58.06526	0.5
60.04453	0.9
61.01067	0.6
61.02855	2.1
62.06012	1.7
69.03348	17.2
69.06982	2.5
70.06509	21.5
71.04902	0.7
71.06812	0.4
72.08067	100.0
73.02834	2.8
73.08393	0.7
74.06010	0.5
79.33600	0.4
81.03339	2.2
83.01248	0.4
83.06017	1.0
83.08531	0.5
84.04425	26.7
84.08066	7.8
85.02827	34.6
86.03154	0.6
86.09626	40.5
87.04400	0.5
87.09982	0.7
91.05396	3.2
92.10879	0.8
95.06025	0.6
97.02824	10.6
98.06022	0.5
99.04371	3.7
100.07545	1.0
101.02311	3.4
102.05478	18.1
102.42954	0.4
103.05393	3.9
104.05229	0.5
107.08506	0.5
109.02827	2.3
110.07128	5.7
113.07012	0.4
115.03901	1.8
116.07043	3.0
117.10197	0.9
120.08045	4.9
127.03873	20.2
129.06615	0.9
129.10172	3.0
130.04935	0.5
131.04887	5.7
132.05225	0.5
132.10164	11.3
135.08012	3.4
136.07578	0.5
137.06000	0.7
138.09149	1.8
141.10297	0.5
145.04939	12.2
156.10191	1.0
158.87943	0.5
163.06003	2.9
163.07576	2.1
164.40652	0.4
167.55301	0.5
172.11525	0.7
176.11909	0.4
183.11243	3.2
183.14908	0.7
186.90308	0.5
197.12804	7.7
201.12311	15.9
217.13367	0.8
225.12399	0.8
229.11786	18.2
229.13918	0.7
243.13306	8.7
245.12888	0.5
261.14517	2.3
308.47903	0.6
360.13351	0.7
360.21396	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2123
Annotation	Glu-Ile-Val
Peak:m/z	Relative Intensity
55.01805	0.9
55.05449	7.6
55.74557	0.5
56.04966	3.2
57.03365	1.1
57.79152	0.5
69.03340	4.5
69.06960	0.6
70.06503	8.5
72.08065	100.0
84.04423	46.7
84.08054	3.6
85.02821	10.9
86.09622	54.8
95.08456	0.5
97.02808	4.0
99.04403	0.8
102.05473	25.4
107.08527	0.7
109.02808	0.8
110.07115	3.4
110.09644	2.3
116.07046	0.9
116.81548	0.5
118.08623	2.6
120.08053	0.6
123.04424	0.7
123.19293	0.6
127.03889	6.6
129.06587	0.7
129.10219	1.2
132.10165	24.6
134.17551	0.5
135.07997	2.5
136.07552	0.9
138.09085	15.4
138.10074	0.7
145.04948	3.2
145.06505	0.5
155.11790	3.4
156.10184	11.8
163.07455	1.1
183.11246	34.4
190.08592	0.6
191.06934	4.7
197.12900	1.3
201.12289	25.3
208.09660	3.1
211.10794	4.4
215.13838	1.1
229.11797	9.0
231.16917	0.7
272.92923	0.5
283.51767	0.6
342.20343	0.8
360.14169	0.7
360.21030	0.7
365.70819	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	0.9
55.01810	5.9
55.05438	2.1
57.03374	5.1
57.06738	1.2
57.07011	28.9
58.06527	6.8
58.07347	1.8
61.02845	2.2
62.98999	3.7
67.05418	5.4
69.03348	17.5
69.06987	2.3
69.14651	0.8
71.04900	1.4
71.08543	16.0
73.02810	2.0
75.02597	1.3
77.00538	3.7
81.03328	1.3
81.06980	5.9
83.08531	1.6
85.02824	31.0
85.10106	9.9
87.02654	1.2
87.04377	0.9
88.22728	0.8
91.50728	0.9
92.41460	0.9
95.08552	9.7
97.02810	11.1
97.10076	1.2
99.04385	2.2
101.02322	4.0
105.03671	75.9
109.02837	1.2
109.10111	2.2
115.03938	1.5
122.06332	15.3
127.03884	24.4
134.49898	0.9
137.13260	1.6
145.04901	10.5
163.05989	1.4
206.46756	1.0
242.81299	1.0
259.24234	1.2
296.29422	100.0
297.29813	4.4
360.29288	11.3
374.53476	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81516	0.4
55.01799	0.5
55.05435	0.9
57.07008	8.9
57.26635	0.3
67.05415	1.7
69.03339	0.9
69.06986	0.8
70.06517	0.5
71.08542	4.4
79.05414	4.8
79.75816	0.4
81.06979	1.8
83.08530	0.6
85.02832	4.4
85.10101	1.9
88.07573	1.7
95.04891	0.8
95.08535	2.0
97.02814	0.8
103.05416	3.4
105.06973	100.0
106.07317	0.7
109.10143	0.6
114.20103	0.4
122.09615	14.3
123.46556	0.4
124.38655	0.4
127.03893	2.4
145.04999	0.7
167.70988	0.4
181.13783	0.5
250.91446	0.4
359.37024	4.9
360.32565	24.0
360.37186	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1493
Annotation	8-Epideoxyloganic acid
Peak:m/z	Relative Intensity
51.02335	0.4
53.03885	0.9
55.01804	3.1
55.05449	1.1
56.96496	0.5
57.03361	2.2
57.07007	0.5
57.32761	0.5
61.02830	1.1
65.03842	0.6
67.05422	3.0
69.03343	9.8
69.06981	2.7
69.56068	0.5
70.03666	1.2
70.06514	6.0
71.04916	1.1
72.08073	2.2
73.02812	2.5
79.05401	10.3
79.85201	0.4
81.03326	6.7
81.06983	7.1
84.04419	0.9
84.08063	4.1
85.02824	16.9
86.03164	3.3
86.09627	5.1
88.03921	0.7
91.05404	18.8
93.06970	3.1
95.04892	2.0
95.06004	0.5
95.08525	4.3
97.02823	5.2
97.06453	2.9
98.03133	0.9
98.97511	1.3
99.04370	2.7
101.02328	0.9
103.05424	0.9
105.06974	8.2
107.04906	4.2
107.08533	36.7
109.02822	2.9
109.06449	7.5
109.10110	2.5
110.07111	2.0
115.05396	9.7
116.07050	0.5
116.98602	1.3
117.06968	13.4
119.04912	2.0
119.06009	1.0
119.08601	0.8
120.05717	0.6
120.08060	3.0
121.10090	1.1
123.11661	2.7
127.03864	8.5
128.04201	4.4
129.06970	0.5
129.10216	1.3
130.06490	2.2
131.04868	1.0
133.06454	1.1
134.99658	0.9
135.08017	100.0
136.08371	2.7
137.05959	6.5
137.13264	1.0
145.04933	4.5
146.05231	0.9
147.04375	0.6
147.11826	0.5
149.05927	0.7
149.13268	0.7
151.07547	2.6
158.99628	0.8
161.05943	6.2
161.09563	1.0
163.06094	0.9
163.07491	18.1
164.07784	0.6
165.71481	0.5
169.11726	0.5
177.00665	0.8
181.08559	17.9
189.06757	0.7
189.08990	2.1
190.15736	0.5
195.08011	1.0
198.98975	0.6
199.09694	0.8
202.12691	0.5
207.10176	1.1
210.06589	0.7
287.12689	1.0
325.12708	3.1
343.13791	2.9
360.22345	0.6
361.22400	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03895	0.5
55.01799	2.3
56.69598	0.4
57.03367	1.0
60.96170	0.4
61.02848	0.6
65.03858	1.0
67.05434	1.6
69.03353	7.6
69.06984	0.8
70.03664	0.8
70.06503	2.3
70.33307	0.4
72.08072	0.6
75.42919	0.4
79.05408	10.2
81.02979	0.4
81.03339	6.9
81.06982	3.2
84.08050	1.7
85.02823	11.7
86.03154	1.0
86.09618	3.7
91.05404	19.0
92.63688	0.5
93.06964	2.7
95.04880	2.1
95.08511	1.7
97.02806	3.6
97.06413	0.8
98.03153	0.5
98.97488	0.6
99.04372	0.9
103.05408	1.9
105.06974	9.2
107.04905	6.8
107.08536	36.2
108.08852	0.6
109.02808	1.9
109.06472	7.9
115.05399	8.7
117.06965	12.9
119.04893	1.8
119.05976	1.0
119.08548	0.6
120.05732	0.5
120.08016	0.7
121.06444	0.5
122.03597	2.3
123.11646	0.7
127.03851	5.1
128.04207	2.0
129.06981	1.1
129.10222	0.6
130.06500	1.0
131.04871	0.7
133.06488	0.8
134.99651	0.5
135.08014	100.0
136.08354	2.5
137.05957	12.8
145.04958	2.5
146.05257	0.5
146.07220	0.7
147.04372	0.7
148.05157	0.6
149.06001	0.5
151.07507	5.2
157.05269	0.5
157.06502	1.0
161.05945	10.9
161.09573	2.3
163.06119	0.8
163.07483	19.3
165.06981	0.8
167.15717	0.4
171.40120	0.4
174.06892	0.4
175.07597	0.7
177.08937	0.4
181.08565	14.9
189.09076	5.7
192.33444	0.4
195.08038	2.6
207.10135	3.0
217.90941	0.5
221.05959	0.5
221.09647	0.5
223.07416	0.8
227.10631	1.7
229.47209	0.4
241.72533	0.4
246.83459	0.4
253.08449	0.7
253.12257	0.8
255.10147	0.8
269.08084	0.5
285.11142	0.6
287.12741	2.9
311.13080	0.5
313.14267	0.7
325.12869	2.7
343.13828	1.7
360.22476	0.8
361.22662	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1229
Annotation	N-hydroxy-4-aminobiphenyl glucuronide
Peak:m/z	Relative Intensity
51.88994	0.8
55.05439	4.3
56.04974	7.5
56.96493	1.1
57.03369	1.5
60.04448	5.6
60.05548	1.0
63.06024	0.9
67.05412	1.4
69.03333	2.1
69.06979	1.6
70.02864	1.4
70.06509	38.8
71.04926	1.0
72.08071	26.9
73.08396	3.9
74.06001	4.6
79.05405	1.3
81.03329	1.4
81.06947	1.2
82.06484	1.2
83.06037	1.4
84.04433	24.1
84.07594	1.8
84.08065	33.9
85.02809	7.9
85.04745	1.7
86.03151	1.4
86.09631	25.7
87.05498	1.8
87.09953	1.2
88.03885	3.9
91.05402	6.8
92.10384	1.2
93.07002	1.0
95.06043	1.1
97.02827	1.1
101.07095	1.7
102.05471	6.9
103.05397	1.5
105.02207	1.2
107.04874	1.4
107.08553	4.2
108.08841	1.5
110.07114	20.6
110.09604	1.0
111.07441	1.2
112.08636	1.5
113.07077	1.4
115.08593	1.5
116.07037	2.2
116.98546	1.5
117.06977	1.2
120.08066	10.0
123.39286	1.0
129.10196	13.9
130.05005	1.0
132.10191	1.3
134.99617	1.5
135.08008	11.6
136.07510	4.3
136.08385	3.5
137.05917	2.3
137.81027	1.0
138.09047	1.2
155.08554	2.0
163.07439	1.3
165.06946	10.0
169.06413	1.7
178.07715	2.1
179.07143	1.3
179.08536	11.2
181.06503	1.5
182.07092	1.1
183.08008	24.6
183.11227	1.7
187.07538	1.4
189.06967	5.1
190.04524	1.0
191.08656	1.3
192.07338	1.3
193.06442	5.6
194.07156	1.7
195.07930	1.5
197.09740	1.2
207.08015	78.2
208.08250	1.3
209.09608	1.7
210.06758	1.9
211.07484	15.5
217.06564	9.2
218.07344	1.1
221.05884	10.2
223.07498	10.0
225.09074	2.0
234.06746	1.3
235.07494	100.0
236.07771	3.8
237.09026	2.1
239.06963	33.0
240.97215	1.1
253.08554	68.3
254.08827	1.8
257.08044	1.3
263.06970	2.4
281.08115	11.8
299.09100	22.1
316.11774	11.4
345.09720	1.4
362.12244	42.7
363.12646	1.6
378.68863	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1231
Annotation	N-hydroxy-4-aminobiphenyl glucuronide
Peak:m/z	Relative Intensity
54.82002	0.6
55.01800	1.6
55.05443	1.6
56.04963	2.9
60.04456	3.3
69.03340	3.5
69.06955	1.0
70.06508	13.9
72.08058	10.0
73.08384	1.1
74.05986	1.2
76.02113	0.6
84.04441	5.7
84.08071	12.1
85.02816	6.0
86.09625	21.3
87.09962	0.9
88.03925	0.9
91.05399	1.6
92.10825	0.8
98.05923	0.7
98.97543	1.4
101.04308	0.7
102.05457	1.6
107.04872	10.8
110.07103	4.7
112.03989	0.7
116.07056	0.7
119.04888	0.9
120.08064	3.3
123.04382	4.2
124.04738	1.5
127.03881	1.1
129.10211	5.2
130.04988	1.0
131.04884	0.9
131.08513	0.8
132.08063	1.0
135.04433	0.9
136.07539	0.7
149.02306	1.5
150.02753	0.8
153.06982	1.0
155.08514	1.5
165.06969	13.6
166.07672	1.6
167.08401	0.9
168.05675	1.0
169.06464	3.9
177.01822	3.1
177.06961	0.9
178.02124	3.8
178.07664	7.4
179.08539	28.1
180.08871	0.7
181.04919	1.3
181.06445	2.9
182.05328	0.8
183.06392	1.2
183.08003	36.4
184.08374	1.1
187.07448	1.2
189.07030	5.2
190.07666	1.7
191.08603	5.3
193.06250	7.0
194.07234	4.5
195.07996	1.7
205.06769	0.8
207.08002	71.5
208.08543	2.4
209.09543	5.5
210.06593	0.9
211.07494	21.9
217.06543	7.8
218.07059	0.7
219.07979	2.9
221.05901	9.7
223.07549	3.5
224.08224	0.9
225.09087	1.0
225.12215	1.0
234.06793	0.9
235.07481	100.0
236.07806	4.5
237.08984	9.9
239.06967	50.0
240.07425	1.0
252.07669	1.4
252.10135	23.8
253.08540	4.5
263.06964	6.1
270.11258	1.4
281.08026	32.7
282.08337	0.7
296.32675	0.7
298.10693	17.6
299.09003	4.3
316.11749	21.4
317.11868	1.1
327.08530	8.7
344.11185	7.9
345.09500	7.3
346.09387	0.8
362.12338	14.0
363.10367	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	362.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52221	0.5
53.03876	0.9
55.01817	1.2
55.05446	5.7
56.04969	5.0
56.46907	0.5
56.96496	1.4
57.03370	22.1
60.04455	5.6
61.01074	0.9
65.03865	1.0
65.28726	0.5
67.05410	1.2
68.04933	0.7
69.03337	3.5
69.06973	3.1
70.06138	1.1
70.06504	24.6
71.04901	1.6
71.06827	0.8
72.08065	14.4
73.02828	19.2
73.08401	0.8
74.02341	0.6
74.05981	3.8
75.04389	100.0
79.05393	0.6
83.04913	5.2
83.06024	2.5
84.04424	10.2
84.08064	18.0
85.02821	13.6
85.04750	1.1
85.08397	0.9
86.03156	0.8
86.09190	0.8
86.09618	23.1
87.04384	0.6
87.09966	3.3
88.02127	1.4
88.03907	0.9
88.32191	0.6
90.95493	0.6
91.05415	1.0
93.06927	1.1
95.04891	15.1
96.11839	0.6
97.02817	2.6
98.97516	1.6
99.04371	1.0
101.05893	0.9
102.05474	4.8
103.05359	0.8
105.04474	0.8
105.06975	0.7
107.04940	0.7
109.06458	0.6
110.03663	0.8
110.07111	14.1
111.04400	4.3
111.07435	1.1
112.08660	1.1
115.08610	1.2
116.07047	0.8
120.08066	5.8
121.02722	1.0
123.04367	12.0
124.04720	1.2
125.02317	1.3
126.05437	0.8
127.03861	2.6
128.04189	0.7
129.05421	4.9
129.10201	8.7
130.04974	0.9
136.07529	4.7
137.05942	1.1
139.03891	1.0
140.04649	59.2
141.05067	0.7
141.67249	0.6
143.58000	0.6
146.08086	2.8
147.06544	0.6
147.07915	0.6
155.06990	20.8
155.07980	0.8
156.07608	1.2
159.09039	0.8
164.09149	4.3
165.24760	0.6
167.03351	0.9
173.08072	3.4
181.04904	10.5
182.05263	3.6
193.04861	1.3
198.13170	1.0
199.05971	29.6
201.10492	1.0
215.13869	0.9
269.13306	0.7
321.90225	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05431	3.6
56.22576	0.5
58.28516	0.6
59.50726	0.5
59.96787	0.5
66.11443	0.6
67.05413	1.1
69.06979	1.0
70.06500	3.5
71.08181	0.6
71.08533	4.9
72.08066	100.0
73.08366	0.8
79.05402	1.1
81.06955	3.9
93.06958	2.8
95.08504	3.0
97.06484	0.7
98.05969	12.2
99.08013	1.5
105.06947	1.4
107.08529	1.2
109.06470	2.6
109.10101	1.7
126.09043	1.0
139.85526	0.7
140.10670	1.0
146.92331	0.7
154.12273	1.0
165.12675	3.3
224.28008	0.8
238.18015	1.2
244.49709	0.7
247.23241	0.7
264.23178	7.7
291.23029	1.4
305.62598	0.7
362.30423	31.1
363.30835	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	2.0
55.98153	1.2
56.04960	7.3
57.07005	12.0
58.06528	14.7
59.16355	1.3
60.04441	1.9
65.56128	1.4
67.81094	1.5
67.85154	1.6
69.03368	2.0
70.06490	1.8
71.08540	2.2
72.08065	7.6
74.05964	7.3
75.57742	1.5
79.51640	1.8
82.42540	1.6
86.05991	9.1
88.07551	70.9
100.07545	2.7
103.79333	1.5
104.07049	2.9
132.10185	17.2
136.43724	1.5
162.11247	6.8
172.95232	1.6
177.10760	1.5
195.31499	1.8
218.32391	1.7
270.25159	2.0
270.27835	45.0
314.30515	16.1
335.86807	1.6
344.31339	3.0
362.32565	100.0
363.19281	8.2
363.32504	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	362.326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68349	0.4
54.81670	0.3
55.05446	0.4
56.04955	0.5
57.07011	12.0
58.06514	1.0
59.70200	0.3
63.32908	0.4
66.07600	0.4
67.05410	0.8
69.06988	0.6
70.06506	25.3
71.04891	0.6
71.08542	5.3
72.08063	0.7
81.07003	0.6
84.08077	3.6
85.10067	1.5
86.05958	0.6
86.09615	0.8
87.04359	0.5
88.07549	23.4
89.05903	0.7
95.08575	0.4
102.09077	3.4
106.08603	1.7
114.09116	12.3
118.08583	2.1
126.87960	0.4
132.10165	38.6
162.11211	1.0
176.12778	6.3
181.41441	0.5
194.13821	7.9
224.76245	0.4
242.24773	1.9
256.26276	9.5
272.25806	0.5
274.27258	4.3
318.29993	3.1
362.32556	100.0
363.32968	4.0
363.36801	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20409	0.8
57.07006	13.3
58.06518	4.2
59.65122	0.7
70.06145	1.4
70.06503	37.5
71.08525	4.3
72.08066	4.6
84.08077	2.1
86.09601	5.5
88.07552	12.2
102.09094	4.9
115.41301	0.8
132.10168	14.7
143.46722	0.8
146.11719	16.1
212.23709	4.2
251.22542	0.9
256.26260	20.9
256.28738	1.1
300.28879	72.7
301.29074	0.9
344.31436	1.4
362.32541	100.0
363.32837	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	363.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90183	1.6
53.03867	2.4
55.01791	3.2
55.05438	3.3
56.04972	19.8
56.96478	1.9
59.59713	1.8
60.04450	5.2
61.01073	3.1
61.41396	2.2
67.05412	3.2
69.03341	10.1
69.06988	2.6
70.06133	4.0
70.06504	75.0
72.08062	45.2
74.05984	17.2
81.03333	3.1
81.06971	2.4
84.04425	29.2
84.08064	100.0
85.02821	12.9
85.03949	21.6
85.08393	2.4
86.09623	49.0
87.05531	3.0
88.03905	11.9
89.13879	2.0
91.05386	8.7
97.02795	4.5
98.25331	2.2
98.97517	10.2
99.04402	3.9
102.05457	8.6
104.05236	3.2
106.46104	1.8
107.04932	2.2
108.55019	2.1
109.02863	3.4
109.06496	2.5
110.07100	25.9
111.04366	3.0
112.08682	2.4
115.08662	2.2
116.07046	8.7
116.98553	9.9
120.08072	36.8
123.04417	14.7
124.04726	4.0
125.86134	2.2
127.03856	4.8
127.07490	4.9
129.10204	41.4
130.06491	24.3
130.08554	3.4
130.10609	2.7
132.08051	54.3
134.99640	4.3
135.04346	2.2
136.07581	3.3
137.05910	3.6
139.08626	3.1
143.52602	2.1
144.08028	4.9
146.05867	2.2
154.06529	2.3
155.06999	4.2
158.08315	4.9
159.07751	3.6
159.09129	30.9
165.06979	3.2
167.07022	11.4
169.07574	10.6
170.06029	16.0
171.09120	11.4
175.08722	3.0
177.00601	2.8
179.08521	3.2
180.08798	5.0
181.04948	12.2
183.06462	10.1
183.07936	3.7
184.08344	5.1
187.08601	20.0
188.06970	3.5
192.48213	2.3
194.06870	2.4
198.89247	2.2
201.07643	7.5
207.07967	11.6
208.06602	2.3
208.08353	17.6
216.11357	17.7
235.07500	13.7
235.10754	9.1
236.07796	30.8
237.02719	4.0
239.06934	8.9
240.07343	12.3
244.10670	17.2
250.87732	2.1
252.10201	3.5
253.10466	4.4
281.07993	3.2
282.08371	9.9
317.12048	4.5
328.08878	3.8
345.15604	2.7
363.10321	47.9
363.16483	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	1.1
55.01798	2.1
55.05432	1.5
56.04977	10.0
56.96489	2.2
57.03355	2.9
58.06536	1.1
60.04453	2.4
60.05577	46.3
61.02848	1.6
66.76625	1.0
69.00828	9.9
69.03345	8.5
69.06985	1.7
70.06509	32.9
71.04910	1.3
72.08059	8.5
73.02823	1.6
74.05986	13.7
76.56284	1.5
81.03334	2.4
83.05984	1.2
84.04426	32.3
84.08063	10.7
85.02821	16.5
85.04753	1.5
86.03471	100.0
86.09620	54.5
87.04399	1.1
87.05536	1.3
87.09953	8.1
88.03890	2.5
96.04430	1.5
97.02816	7.9
98.97516	2.4
99.05515	2.3
100.02113	6.1
101.07091	1.4
102.05474	14.5
103.03811	1.1
106.06488	1.6
109.02802	2.6
110.07101	6.8
111.05530	11.4
112.08613	1.3
113.07056	7.2
116.98553	6.0
117.05705	1.5
119.01775	1.8
120.04398	6.1
120.06534	8.9
121.06832	1.5
125.07014	1.4
127.03873	7.1
128.04181	1.3
129.10184	5.1
130.04915	5.0
132.08023	4.7
132.10141	1.8
134.99593	4.9
137.05975	1.8
139.03868	2.4
140.07016	4.8
141.06497	9.6
145.04962	1.5
146.99651	2.0
148.03864	6.6
150.05397	9.8
155.07021	1.7
155.11697	1.1
156.04758	1.4
156.07610	2.0
161.02899	2.6
176.07004	7.9
177.00670	4.7
182.08089	1.6
183.06602	1.2
183.08362	1.5
187.14323	2.3
189.00632	2.3
197.07381	9.2
197.12784	5.8
199.05278	7.1
201.06334	5.1
205.09616	1.8
215.13815	7.8
216.14204	2.1
219.01747	1.6
221.89365	1.3
225.06926	6.0
231.07530	1.5
232.10703	8.4
237.02679	1.9
243.13309	2.4
260.07773	1.2
260.10278	6.6
261.02780	1.6
276.09839	2.0
278.11276	84.3
279.11459	1.3
304.09195	44.0
326.17044	1.8
327.17523	1.2
342.22784	1.2
344.06558	1.2
363.10245	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	363.1645
Annotation	Gibboside
Peak:m/z	Relative Intensity
51.92480	0.4
53.03871	0.8
54.82246	0.4
55.01800	0.8
55.05440	2.2
56.96502	0.5
57.03368	0.8
60.04449	0.4
65.03848	1.7
67.05425	7.1
69.03040	0.5
69.03345	5.9
69.06963	1.0
70.06511	5.0
71.04894	0.6
72.08060	2.6
79.05403	9.1
81.03340	2.8
81.06966	4.7
81.08368	0.3
83.04892	0.6
84.04449	0.7
84.08059	2.1
85.02842	3.1
86.09623	5.3
87.04358	0.5
87.09940	0.5
91.05399	16.9
91.05947	0.9
92.10237	0.6
93.06971	14.8
95.04880	2.2
95.08519	2.7
97.02850	1.6
97.06459	1.8
98.97498	0.7
99.04437	0.5
105.00312	0.5
105.06967	8.5
107.04897	5.0
107.08533	38.4
109.02822	2.6
109.06467	7.6
109.10109	12.5
109.50127	0.4
110.07114	2.2
115.05402	11.4
116.06161	0.4
116.98569	0.7
117.06959	15.5
119.01847	0.5
119.06028	3.0
119.08509	0.8
120.05740	0.5
120.08073	1.0
121.10086	5.7
125.05991	0.6
127.03889	0.8
129.05437	0.5
129.10135	1.0
133.06438	1.0
135.08017	100.0
136.08354	2.1
137.05920	2.1
137.09587	23.9
138.09940	0.8
147.07976	0.5
148.09334	0.4
148.99318	0.4
149.09584	2.7
154.69336	0.4
155.10652	1.0
161.02872	0.4
163.07503	13.4
165.07701	0.6
165.09052	8.0
167.07030	0.8
167.10649	1.7
181.08569	15.0
183.10149	0.6
184.16994	0.4
201.11247	2.1
219.01749	0.5
289.92264	0.5
309.13284	2.7
327.14188	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1647
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
50.34256	0.4
53.03889	3.7
55.01802	2.4
55.05454	3.9
56.04971	0.9
56.96497	0.6
57.03363	2.4
60.04439	0.5
61.54847	0.5
66.57667	0.4
67.05427	34.6
69.03352	8.4
69.06607	0.5
69.06977	2.5
70.06507	17.2
71.04903	3.0
71.06837	1.2
72.08070	9.0
73.08376	0.6
74.06003	0.6
79.05419	3.9
81.03336	32.9
81.06974	20.0
83.04884	0.6
84.04423	2.7
84.08066	8.5
85.02827	9.8
85.06433	0.6
86.09616	6.0
88.03882	0.6
91.05407	3.7
91.21736	0.5
92.10231	0.8
93.06985	5.4
95.04891	5.1
95.08533	11.0
97.02805	1.1
97.06487	0.5
99.04391	7.1
99.08006	0.8
103.03873	5.8
107.08542	4.8
109.02824	23.5
109.06490	3.8
109.10103	82.6
110.07110	4.3
116.07034	4.6
119.08529	5.1
120.08064	9.2
121.08385	2.4
121.10094	2.5
123.11645	0.5
125.05949	7.1
127.03878	8.5
129.10193	3.0
135.07996	2.9
135.08977	0.5
136.07506	0.8
137.05984	1.2
137.09590	100.0
138.09949	0.7
155.10651	12.7
155.11844	0.9
163.07515	0.5
165.09079	29.9
181.08646	0.8
183.10117	6.8
201.11227	11.2
217.13292	0.7
309.13239	1.0
327.14313	15.0
345.15424	3.2
353.73825	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1648
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
53.03875	2.1
55.01803	2.5
55.05444	2.7
57.03369	2.5
62.55323	0.5
67.05076	1.0
67.05429	30.2
69.03354	4.1
69.06971	2.2
70.06503	5.1
71.04893	2.1
72.08052	2.2
79.05425	4.1
80.39570	0.5
81.03341	23.4
81.06977	17.5
84.04439	1.1
84.08058	3.2
85.02801	0.8
85.06460	0.9
86.09615	2.5
91.05428	5.1
93.06963	5.3
95.04903	5.3
95.08527	9.9
97.06429	0.9
99.04376	3.4
103.05396	3.5
105.06963	3.1
107.08541	5.4
109.02835	16.9
109.06454	4.1
109.10108	75.3
110.07124	1.1
110.10484	0.6
115.05417	0.6
115.08514	0.6
117.06964	1.2
119.08520	3.5
120.08050	2.2
121.10098	1.0
122.03586	3.4
125.05965	4.4
127.03809	0.9
131.04892	3.5
133.06473	3.9
135.08023	7.8
137.04878	0.7
137.05963	31.4
137.09595	100.0
138.09938	1.2
145.65826	0.5
151.07542	0.8
155.10658	12.2
163.07558	5.9
165.09077	28.3
165.37024	0.5
165.69882	0.5
175.07462	0.7
183.10162	4.3
201.11150	9.9
309.13364	2.0
327.14334	13.6
345.15298	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	363.1648
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
53.03885	1.1
55.01803	2.8
55.05446	4.2
56.04979	0.6
56.96489	0.5
57.03367	1.2
67.05422	32.4
67.05785	1.2
69.03345	4.6
69.06971	2.0
70.06504	12.4
71.04887	3.1
71.06821	0.8
72.08060	8.6
74.05964	0.7
79.05400	3.0
81.03333	21.7
81.06969	18.8
83.04894	0.8
83.06098	0.6
84.04431	2.8
84.08067	7.1
85.02827	0.9
85.06464	0.8
86.09625	6.7
91.05402	5.7
92.10892	0.7
93.06974	4.7
95.04860	4.8
95.08537	11.6
97.02856	0.5
99.04366	5.6
99.08011	0.8
105.06975	2.0
107.08527	4.2
109.02071	0.6
109.02824	18.1
109.06456	3.0
109.10101	79.2
110.07124	3.3
110.10450	0.9
114.84425	0.5
116.07057	3.6
119.08523	5.5
120.08061	7.2
121.08356	0.7
121.10046	0.8
123.08029	0.7
125.05946	4.5
127.03873	0.7
129.10197	3.2
133.06404	0.8
135.07939	0.7
136.07520	0.5
137.05956	2.6
137.09584	100.0
138.09973	1.0
147.04398	0.7
149.05978	0.6
151.03897	0.6
155.10637	12.1
163.07520	0.6
165.09073	32.2
167.07112	0.7
183.10043	5.7
195.08826	0.5
201.11171	10.5
291.12399	0.6
309.13190	1.1
327.14307	17.6
345.15408	7.2
362.23779	1.1
363.24506	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	0.2
53.23237	0.2
55.01799	0.4
55.05432	0.2
58.26697	0.1
59.78398	0.2
66.04637	0.4
67.05418	2.0
69.03345	0.7
69.06974	0.2
70.06494	1.1
70.16479	0.2
72.08054	0.3
72.91728	0.2
73.02812	0.2
79.05405	2.1
81.03326	1.0
81.06973	1.8
84.08038	0.2
85.02841	0.6
86.09629	0.5
91.05402	3.8
92.30357	0.2
93.06963	0.7
94.04105	3.9
95.04887	1.2
95.08533	0.3
97.02817	0.3
98.97506	1.3
99.04355	0.2
103.05399	10.0
105.06970	4.5
107.04877	1.8
107.08540	0.4
109.02844	0.2
109.06458	1.4
109.10105	3.2
110.07123	0.3
110.61492	0.2
115.05393	1.0
116.98553	1.3
117.06960	1.9
119.04894	1.1
119.08522	0.3
120.08040	0.7
121.06456	1.7
122.03588	12.7
123.04407	0.2
123.08043	0.4
127.03842	0.4
128.06197	1.7
129.06940	1.0
131.04887	9.1
131.08601	0.2
133.06450	11.4
134.99628	0.9
135.08009	6.2
137.05948	100.0
137.09538	5.2
138.06299	1.5
143.04930	0.6
143.08513	1.6
145.06464	3.1
145.75618	0.2
147.08017	0.4
149.06000	0.3
151.07513	4.4
155.10638	0.3
157.06476	1.0
159.07979	0.2
160.05153	0.7
161.05907	0.3
162.06708	0.4
163.07501	16.7
165.09084	2.3
167.06982	1.7
168.07332	0.3
171.07973	1.3
173.05928	0.2
174.06725	0.9
175.07457	1.8
177.00615	0.3
177.09065	4.5
188.08232	0.4
189.07454	0.3
189.09000	2.1
203.10670	1.7
220.08878	0.3
235.11191	0.3
263.10654	1.3
295.13174	3.1
309.13162	0.7
327.15891	1.3
328.09021	0.3
362.24097	1.0
363.18848	0.2
363.24136	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.18
Annotation	Sauriol A
Peak:m/z	Relative Intensity
50.40662	0.3
53.33354	0.3
53.83484	0.3
55.01802	0.7
55.05437	0.6
56.96495	0.9
57.03366	0.4
60.04442	0.6
64.66568	0.3
66.04636	0.4
67.05426	0.7
69.03333	0.5
69.06979	0.5
70.06493	0.7
74.54195	0.3
79.05394	2.1
81.06970	3.4
84.04406	0.5
84.08070	2.5
85.02818	0.9
86.09615	0.5
86.79488	0.3
91.05396	3.8
92.10330	0.4
92.64082	0.4
93.06961	0.6
94.04107	3.8
95.04890	1.7
95.08534	0.9
97.02848	0.4
98.05157	0.3
98.97482	0.8
103.05396	10.8
104.05775	0.4
105.06961	5.4
107.04891	2.2
109.06464	1.5
109.10098	0.6
111.04434	0.4
115.05408	0.6
116.98558	0.6
117.06995	2.0
119.04913	0.7
120.08070	4.8
120.76234	0.4
121.06474	1.9
122.03600	11.2
123.04341	0.8
123.08094	0.4
123.11641	0.7
128.06189	1.5
129.06953	0.6
129.10208	0.5
131.04901	9.2
133.06456	9.9
134.99617	0.6
135.04396	0.5
135.08020	5.4
137.05949	100.0
138.06261	2.6
143.08514	1.3
145.06488	3.2
147.08078	0.5
151.07526	3.3
157.06465	0.9
160.05185	0.4
161.05911	0.4
163.07507	14.4
165.06863	0.4
167.06990	1.8
171.08009	1.5
174.06766	0.6
175.07484	2.1
177.00691	0.8
177.09119	0.7
187.07414	0.5
188.08275	0.7
189.09064	1.9
203.10670	1.8
207.21011	0.5
208.75543	0.4
263.10577	0.4
269.80981	0.5
295.13297	2.7
295.82999	0.4
312.13254	0.5
327.15979	0.5
363.18198	0.5
372.99921	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	45.8
56.04971	5.6
56.96508	5.9
57.03369	5.8
57.07000	3.1
60.04452	7.6
63.21947	3.0
65.06312	2.9
67.05434	30.4
69.03344	6.2
69.06982	15.8
70.06501	21.1
71.04897	5.0
72.08064	12.3
74.05990	4.6
79.05395	21.9
81.06512	4.3
81.06973	92.5
83.04900	4.1
83.06018	5.3
83.08537	33.5
84.04422	28.8
85.02834	21.1
85.06467	5.5
86.09638	33.2
91.05401	17.9
91.06455	2.6
92.64100	3.1
93.04414	4.3
93.06983	22.1
95.04890	3.5
95.08511	25.1
97.06492	3.5
98.97511	13.2
100.11199	31.9
105.03345	4.3
105.06983	30.3
106.47042	3.3
107.08539	18.0
109.10072	4.0
110.07128	41.0
111.04382	3.6
112.08715	3.2
115.08669	3.3
116.07052	3.8
116.98586	11.3
117.07005	3.8
119.08540	18.4
121.10088	22.6
122.05548	3.3
123.11658	100.0
126.05464	4.2
128.10699	6.1
128.98645	3.5
129.10175	3.0
134.99626	7.5
137.05945	5.6
137.09641	4.3
141.11490	4.6
145.13359	3.8
147.11658	48.5
152.34348	3.1
158.99664	4.6
165.12740	25.6
167.07065	14.8
173.03052	3.1
177.00729	5.7
178.13310	3.1
182.15366	13.2
183.13803	4.6
195.01950	3.3
199.17973	4.1
210.14874	5.4
212.31104	3.2
227.17586	3.8
253.48300	3.1
326.22845	3.2
363.73373	3.3
374.08194	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	363.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96493	9.7
62.22890	3.8
70.06527	3.9
81.45323	4.2
89.76758	5.0
91.05411	5.7
95.08542	6.6
96.44112	4.3
105.06989	4.8
134.99588	8.2
135.06445	4.1
150.11958	4.3
167.06973	19.4
169.29707	4.2
210.88042	4.0
231.04306	4.6
251.69104	5.0
277.17630	6.2
282.13712	8.6
300.14819	48.6
318.15799	35.3
363.17715	7.3
363.24918	100.0
385.17072	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	363.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00249	2.3
55.05444	3.9
57.07010	74.1
57.22876	1.8
60.87073	2.0
71.08546	49.0
73.06480	2.8
77.50747	2.2
82.78161	2.2
85.10118	19.0
89.05949	100.0
101.21497	2.1
104.99244	3.2
107.07011	10.8
132.11533	2.1
133.08589	27.0
151.09665	4.4
159.80659	1.9
177.11223	3.7
195.12271	22.2
332.60104	2.5
363.31097	8.3
372.03253	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	364.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	1.2
54.81926	0.3
55.05435	1.0
56.04974	0.5
56.96493	0.5
57.03365	0.4
64.33173	0.3
67.05418	1.2
69.03352	2.0
69.06979	0.5
70.06506	4.8
72.08065	1.5
74.05981	0.5
79.05394	4.0
81.03323	0.4
81.06984	1.9
81.47190	0.3
84.04436	1.1
84.08063	3.1
85.02825	2.7
86.01946	0.2
86.09628	3.5
91.05408	9.2
92.05756	1.2
93.06970	100.0
94.07302	1.7
95.04900	4.0
95.08527	0.4
97.02818	1.2
98.97507	0.5
101.20579	0.3
102.05499	0.4
103.05381	0.3
105.04465	0.5
105.06978	3.7
107.04879	0.6
107.08526	3.2
108.08891	1.2
109.02854	0.3
109.06478	0.6
109.10100	1.4
109.82599	0.3
110.07135	1.9
110.10450	0.5
111.08035	0.4
115.05389	0.5
116.98557	0.5
117.06998	1.1
118.07281	0.6
119.08523	1.1
120.08069	1.1
121.06499	0.4
121.10096	35.4
122.10444	1.1
123.08031	1.0
127.03871	0.5
129.10210	1.6
131.08554	0.5
135.08017	4.7
136.06163	0.6
136.08385	4.5
137.05959	0.4
137.08643	0.3
137.09605	1.5
138.09921	1.9
149.09589	16.5
163.07542	0.3
164.07922	0.4
165.09077	0.4
166.09509	0.4
167.10632	14.5
168.11003	0.3
203.05287	1.6
261.80313	0.3
328.14352	0.3
365.10452	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	364.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46952	1.8
55.05440	11.5
55.20608	2.1
57.07012	58.4
57.19817	2.1
67.05418	9.1
69.06973	9.3
71.08182	2.2
71.08533	22.4
74.09625	100.0
79.05408	8.7
81.06966	14.1
83.08537	3.5
83.24494	1.9
89.05946	38.0
91.05400	4.4
93.06965	12.5
95.08535	11.7
99.08010	4.4
100.93730	2.1
105.06976	4.4
107.08537	3.8
109.06451	9.0
109.10103	3.2
119.08574	2.6
121.10066	2.9
151.09686	18.2
165.12721	12.0
266.24701	9.5
291.23157	13.0
364.32031	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	365.1048
Annotation	Sucrose
Peak:m/z	Relative Intensity
50.02729	0.9
50.04160	1.1
50.30926	1.2
56.62131	1.0
70.91608	1.0
72.08047	1.6
78.00716	1.2
85.02824	2.1
109.69453	1.2
112.15448	1.0
169.11316	1.1
174.03006	1.4
175.02686	1.5
180.07253	1.1
185.04146	21.3
203.05214	56.0
269.34695	1.2
365.10464	100.0
372.17435	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05605	0.5
53.03870	1.3
55.05455	6.3
56.96494	0.9
57.03366	1.7
58.06531	4.7
59.04922	8.0
59.10042	0.6
61.02851	3.8
62.59799	0.6
68.04938	0.8
69.03338	10.4
69.06983	1.3
70.06516	3.6
70.54212	0.7
72.08066	55.4
73.02832	1.5
73.06460	1.3
76.56139	0.7
81.03333	3.1
83.04900	1.2
84.04409	1.1
84.08074	1.4
85.02819	11.7
86.05984	12.4
86.09619	3.1
87.04376	1.1
97.02824	5.7
99.09158	3.8
100.07552	1.8
101.05955	4.4
102.09044	0.9
109.02843	1.7
110.07087	0.8
110.37460	0.7
112.11185	3.3
118.08598	10.7
120.08063	15.3
122.05971	0.9
127.03891	2.6
128.07005	1.5
129.10165	1.2
130.12080	1.0
136.07603	0.8
139.12280	0.8
140.07079	1.1
145.09639	1.0
157.13326	15.9
158.11736	14.6
166.08688	1.8
168.06560	1.2
175.14389	3.6
181.32578	0.7
182.08112	2.9
185.04173	5.5
185.12863	6.1
203.05243	19.1
203.13873	100.0
204.14323	0.7
262.16675	0.7
365.10461	30.5
365.19058	32.6
366.10428	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11990	0.6
55.01779	0.7
55.05449	9.9
56.04971	9.3
56.96484	1.4
57.03366	0.9
57.50146	0.6
60.04450	4.8
61.01074	0.9
61.02843	0.8
62.35573	0.7
67.05421	0.9
69.03340	1.6
69.06972	3.8
70.02830	1.2
70.06141	1.4
70.06508	36.3
72.08067	100.0
73.08385	0.9
74.05981	4.8
79.05389	1.5
81.03309	1.5
81.06969	1.7
82.05750	0.7
82.06459	1.6
83.06007	2.0
84.03947	1.8
84.04429	47.1
84.08064	32.2
85.02818	7.9
85.08389	1.2
86.09627	25.4
87.04374	4.6
87.09949	0.8
88.03899	5.7
91.05396	5.4
93.06961	4.4
95.05992	1.6
95.08522	1.2
97.02808	2.1
98.05965	2.0
102.05481	25.6
103.05392	1.8
105.06934	3.4
107.04912	1.3
107.08541	1.2
109.02117	0.9
109.06470	1.0
110.05978	5.4
110.07111	24.8
111.04390	1.8
112.08664	1.3
114.09113	0.9
115.08652	1.2
116.07052	8.4
116.98547	1.6
118.08613	13.8
119.04872	2.1
120.08056	72.7
121.08368	1.9
125.05936	1.4
127.03870	1.5
127.08603	1.7
127.12585	0.9
128.07071	1.2
129.10207	15.0
133.10069	1.0
136.07536	17.7
140.10648	1.5
153.05389	1.9
155.08096	11.9
156.07715	1.1
158.11723	20.8
166.08597	27.7
173.09203	10.4
177.00618	1.5
178.13324	3.7
183.07658	1.6
183.11266	1.1
186.11197	4.0
201.08659	5.6
203.05193	3.5
204.12280	19.8
223.15488	1.6
249.15942	1.7
251.14935	2.0
257.84927	1.0
366.10703	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	366.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	2.8
56.04969	0.8
56.96505	0.9
57.03362	0.8
57.06995	0.4
59.04935	0.5
60.04455	32.9
67.05417	1.8
69.03339	2.5
69.06986	2.6
70.02866	2.2
70.06512	4.1
71.04888	0.8
72.04452	1.7
72.08062	3.2
79.05407	0.6
81.06973	4.8
83.04885	0.6
84.04433	1.1
84.08058	4.5
85.02816	2.7
85.06464	0.7
86.09625	100.0
87.05013	1.0
87.05513	18.2
87.09967	0.6
91.05410	0.9
93.06975	2.8
95.04851	0.9
95.08528	7.8
96.25856	0.6
97.06441	0.5
99.04392	1.0
101.05930	1.0
103.05411	3.1
105.06979	1.0
107.04868	0.6
107.08563	0.7
109.06454	0.5
109.10093	4.1
110.07108	2.6
111.04385	2.0
113.05958	0.8
116.98591	0.8
118.15399	0.5
120.08056	61.7
121.08447	0.8
123.11664	5.7
126.09100	0.5
128.10670	12.3
129.05405	1.0
129.10210	0.6
130.06412	0.6
132.10178	1.0
133.06433	0.6
133.10089	0.9
134.99573	0.8
137.05817	0.6
144.08069	3.5
149.05914	0.6
151.11177	2.5
162.09116	4.0
166.08583	8.0
169.12199	3.7
173.12819	67.5
174.13168	0.7
174.50177	0.5
177.00600	0.5
185.08127	0.5
201.12331	14.8
203.09024	0.8
207.11234	11.0
219.13377	0.5
235.10727	3.0
279.16928	1.0
304.42078	0.6
309.74091	0.6
313.07071	0.5
366.10968	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07007	56.0
64.33412	4.7
71.08537	27.5
73.06496	5.8
85.10108	27.0
89.05947	100.0
98.68067	5.2
107.07037	9.0
120.57487	5.4
133.08562	26.4
195.12224	47.7
253.55478	6.6
349.29584	23.3
355.89893	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	367.1495
Annotation	1-beta-D-glucopyranosyl-L-tryptophan
Peak:m/z	Relative Intensity
51.73925	1.0
54.81460	1.1
55.01813	1.4
55.05396	1.3
57.03380	2.0
58.30043	1.1
63.28049	1.2
64.33047	1.2
64.33847	1.1
67.23286	1.0
69.03334	6.7
73.02831	1.6
73.36089	1.1
80.04915	2.2
81.03313	1.2
82.02843	4.7
84.04418	2.2
85.02840	8.6
86.93925	1.0
88.03892	1.3
97.02817	2.7
98.02339	2.6
99.04345	1.5
102.29401	1.5
108.04432	4.4
112.03929	1.5
115.05343	2.8
117.06906	2.6
118.06475	44.0
127.03848	1.8
127.48663	1.3
129.06929	6.9
130.06490	43.7
132.07236	1.4
132.08066	20.4
138.05423	1.6
142.06444	2.6
143.07291	4.9
144.08054	56.6
146.05978	100.0
154.04977	2.1
154.06413	2.8
156.06740	2.5
156.08041	40.8
158.08316	1.5
158.09674	1.9
159.09151	5.5
160.07448	1.9
167.07098	1.5
168.08040	23.6
169.07533	1.9
169.11176	1.2
170.05942	22.5
170.09540	1.5
171.09094	1.4
172.05988	6.2
172.07410	1.4
180.08026	4.9
182.05978	6.2
182.08276	1.6
183.09122	19.9
184.07549	7.4
186.08975	1.6
188.07011	55.7
194.09521	1.4
196.07588	1.7
198.09081	3.1
202.08598	5.5
210.09177	1.5
212.06946	1.6
217.76582	1.3
218.06526	7.8
220.08223	1.4
229.09660	38.8
230.08040	5.4
240.10120	2.4
258.11176	8.6
271.10706	2.6
273.64114	1.4
276.12259	9.3
303.13498	1.8
314.10037	2.1
331.12634	8.3
332.11160	17.3
349.13846	35.1
367.14749	2.3
380.37692	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	0.5
55.01791	1.3
55.05439	0.8
56.04966	1.3
57.03366	3.6
58.99829	0.6
59.04918	1.0
60.04450	3.2
61.02857	3.1
67.05368	0.6
69.03348	7.3
69.06984	0.8
70.02872	0.7
70.06503	7.9
72.08062	2.6
73.02818	3.6
74.05981	1.5
81.03326	3.1
84.04424	4.6
84.08068	6.0
85.02831	19.4
85.06458	2.8
86.09615	4.2
87.04405	0.7
87.05495	3.7
88.03915	1.3
97.02834	5.3
98.97503	1.0
103.03855	1.2
109.02804	1.5
110.07104	8.0
111.07419	0.7
114.28324	0.6
115.05433	0.9
117.06953	1.0
118.06487	20.7
120.08039	11.8
122.25677	0.6
127.03854	3.8
127.07493	1.1
127.26640	0.7
129.06947	0.7
129.10191	3.6
130.04987	1.2
130.06482	8.0
132.08052	8.2
133.06032	2.8
134.99583	0.7
136.07574	0.8
142.06499	2.9
143.07289	5.7
144.04416	0.7
144.08057	23.6
145.07597	1.5
146.05981	76.2
150.90942	0.6
154.06512	1.0
156.08044	12.9
158.05908	1.1
158.08302	0.7
158.09569	2.4
159.09077	4.3
160.07542	6.4
162.09053	1.4
168.07993	4.8
170.05965	6.6
171.09088	1.1
174.09152	0.9
178.04942	1.4
178.13260	0.8
179.13573	0.7
182.05966	0.8
183.06786	0.7
184.07497	4.1
185.08311	1.0
186.05446	0.9
188.07025	100.0
189.07359	1.4
198.09166	0.7
200.07005	1.0
202.08586	5.7
202.10263	0.8
205.09682	22.9
206.04446	2.7
207.11215	5.0
212.07079	0.9
229.09796	0.7
230.08076	30.0
247.10712	5.7
251.14862	0.6
258.11218	1.0
260.09146	1.1
276.12216	0.7
331.12830	1.3
332.11041	2.6
335.91675	0.6
350.12183	9.1
367.14975	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	367.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81729	8.5
55.05437	8.1
56.96492	74.4
63.48517	8.8
69.06992	18.6
76.58762	8.3
79.05424	13.3
81.06973	40.6
98.97539	13.7
105.06966	21.5
116.98579	15.4
133.06459	12.9
134.99620	20.8
145.10152	10.2
146.99678	15.7
161.02908	18.1
213.07811	14.1
217.07404	18.4
225.67975	9.7
229.07474	15.2
231.09081	37.0
243.08960	17.4
247.08557	15.4
259.12073	12.0
269.10532	46.9
273.10052	11.2
287.11697	61.8
331.15527	9.7
349.16550	16.2
367.17090	100.0
367.21277	48.9
385.18765	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	367.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96502	100.0
57.03349	8.8
69.06983	12.2
69.83002	5.5
74.17450	5.2
75.15128	6.1
79.05404	26.6
81.06973	38.7
89.46320	5.4
93.06944	9.4
95.08547	9.2
97.21060	6.8
98.97534	9.2
105.06955	41.1
116.98574	24.0
119.08561	9.4
128.98579	12.2
133.06390	11.0
134.99638	25.4
146.99680	11.7
147.08032	7.2
161.02995	20.5
161.05991	10.9
203.05922	10.1
217.07486	33.1
223.02644	8.5
229.07339	25.5
231.09071	58.3
237.02873	8.9
242.08269	6.6
243.08963	12.3
247.08418	34.1
255.08884	9.1
259.11990	8.7
266.40469	6.4
269.10483	63.6
273.09979	9.6
287.11655	43.9
341.85074	6.4
349.16675	30.6
367.17706	76.6
367.21048	57.9
368.17914	8.0
385.18976	44.7
393.18698	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	367.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00245	1.8
53.03876	1.7
55.01812	1.9
55.05448	10.5
56.04959	4.0
57.03376	1.9
57.07005	1.9
60.04451	5.7
61.02850	2.3
63.32738	0.9
67.05421	4.8
67.16144	0.8
67.42509	1.0
69.03345	9.1
69.06989	21.0
70.06512	35.3
71.04908	40.0
71.06834	1.5
72.08065	20.4
72.53598	0.9
73.02834	1.0
73.08438	1.0
74.05983	3.8
77.38246	1.0
79.05408	12.8
81.03325	1.4
81.06975	100.0
83.04892	5.5
83.05995	1.3
83.08540	1.0
83.52290	0.9
84.04428	9.6
84.08063	27.3
84.94983	0.9
85.02827	24.7
85.06463	1.5
86.09628	18.5
87.05515	1.2
88.03907	1.1
91.05424	4.1
93.06966	7.8
95.04870	3.6
95.08537	3.9
97.02813	6.8
97.06434	7.2
97.10114	2.2
99.08023	5.6
102.00042	1.1
102.05459	2.2
105.06966	5.4
106.08495	0.9
107.08531	17.3
109.02853	1.5
109.06442	1.8
109.10101	21.2
109.10785	1.6
110.07111	12.7
110.75983	1.0
111.08028	4.8
111.09215	1.0
111.11650	9.4
116.98511	1.1
120.08022	7.6
121.10072	2.0
123.08028	1.3
123.11660	29.8
125.91998	1.0
127.03860	4.3
127.07491	1.2
129.10216	11.2
133.10120	4.7
136.07520	1.8
137.06012	1.2
139.08725	1.2
139.11165	11.9
140.91440	1.0
146.06007	1.2
151.11174	28.0
152.11407	1.0
156.07722	1.1
157.12207	13.8
169.12207	28.9
187.13251	71.4
205.14162	1.3
289.18814	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2176
Annotation	Yuehchukene
Peak:m/z	Relative Intensity
55.05453	100.0
56.05786	2.3
57.07006	1.3
67.05415	2.7
69.56942	1.3
70.06508	3.5
70.89960	1.5
72.08075	3.1
72.93700	2.2
79.05398	1.7
81.06995	1.5
82.06506	17.9
83.04873	5.7
83.08541	29.2
84.04424	1.5
84.08047	6.4
86.05984	1.4
86.09628	2.4
89.96318	2.3
90.94774	2.2
92.10255	3.4
93.07011	1.9
98.09612	6.8
100.07561	1.7
100.10585	1.9
100.11192	45.3
103.05390	5.6
108.11681	1.4
109.07578	5.8
110.05958	2.2
111.04385	3.0
117.95813	2.0
119.28632	1.4
120.08066	6.7
126.09162	1.6
127.08666	2.3
128.07048	3.0
131.04878	8.2
131.97424	1.7
134.99550	2.0
143.73364	1.3
166.15808	1.8
172.00516	3.0
182.15390	12.2
187.05255	2.7
189.59550	2.3
199.01643	25.8
202.01685	1.8
209.16495	7.0
210.14935	2.6
210.92657	1.6
217.02827	10.7
217.06248	1.6
236.12405	7.0
245.12868	14.6
253.64256	3.0
263.08377	5.6
278.09683	2.0
279.07870	2.9
280.10986	9.9
281.09387	8.8
295.17526	6.6
299.10379	1.8
303.68454	1.9
340.70233	1.5
357.71570	2.3
358.21292	11.8
358.71588	2.4
366.71976	9.2
367.21848	85.0
367.72031	44.9
368.21869	3.0
372.13672	2.1
388.16202	1.8
389.16077	3.5
390.14764	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	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01802	3.6
55.05451	21.0
56.96490	2.4
57.03373	12.5
62.55040	1.4
63.47502	1.5
67.05128	1.7
67.05428	34.2
69.03349	1.7
69.06991	19.3
75.87614	1.3
76.58501	1.3
79.05405	31.8
80.25558	1.5
81.06973	100.0
83.04890	3.3
83.08521	7.0
91.05399	23.5
93.06970	18.9
95.04879	7.3
95.08533	16.9
97.06453	7.3
97.10066	2.6
103.05386	1.7
105.06990	17.5
107.04874	7.7
107.08544	11.9
109.06474	20.9
109.10090	8.0
117.06942	6.8
119.08538	16.9
121.06496	2.4
121.10071	9.0
122.62160	1.5
123.08026	3.3
123.11662	3.1
124.86510	1.5
129.06944	2.6
131.08528	6.4
133.10072	8.0
134.99603	1.9
135.08017	2.4
135.11649	1.9
145.10075	2.5
147.08041	26.4
147.11655	8.1
149.09564	2.1
149.13254	3.5
157.10103	2.2
159.11705	3.1
163.11165	1.7
165.12762	2.2
176.07510	3.3
184.09355	1.7
185.13120	1.6
205.06972	1.7
223.08047	3.0
232.59647	1.6
258.31198	1.5
273.09979	2.4
275.19965	16.5
349.23660	8.4
355.17300	2.7
367.24588	14.2
392.42844	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00261	3.7
55.01807	5.3
55.05445	26.7
56.96497	7.6
57.03373	19.2
57.07012	9.7
67.05415	47.8
69.06984	34.2
69.62550	4.1
79.05032	4.9
79.05415	50.2
81.06979	100.0
83.04884	6.1
87.48229	4.2
91.05420	29.5
92.64131	5.4
93.06973	27.0
95.04883	9.1
95.08551	31.9
98.97498	5.0
99.08071	7.3
104.83084	4.0
105.06976	28.8
107.08544	21.9
109.06483	7.1
109.10133	5.0
119.08553	18.0
121.10120	11.1
123.08094	5.0
123.11607	5.4
131.08551	7.8
133.10117	8.1
134.99625	5.5
140.60661	4.1
145.54002	4.3
150.62317	4.6
163.11154	4.9
179.16721	5.3
185.23215	4.4
208.96381	4.8
275.19971	6.1
367.24637	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05446	23.1
57.03369	39.1
67.05424	40.5
69.06979	19.3
79.05406	36.9
81.06963	39.9
83.04845	3.0
83.08519	7.1
84.47487	3.1
85.06447	6.8
91.05394	58.4
93.06967	37.4
95.04870	5.0
95.08515	36.9
97.19201	3.5
105.06968	35.9
107.04858	6.0
107.08495	23.6
109.06449	13.4
109.10110	7.3
116.98589	2.8
117.06947	21.1
119.08524	32.8
121.06483	4.2
121.10097	12.5
123.08027	6.3
131.08524	25.6
133.10060	19.2
135.08093	3.1
135.11583	3.8
145.10088	20.4
147.11653	3.7
159.11681	6.4
159.49321	3.4
173.13153	3.6
187.11081	3.0
219.17398	100.0
222.59358	3.3
275.19989	17.7
349.23663	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	367.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14607	6.8
50.59152	6.8
53.03894	6.7
55.01803	17.9
55.05452	100.0
56.96483	34.5
57.03359	38.0
61.34867	7.3
67.05425	99.1
69.06976	55.1
71.04887	10.8
79.05392	98.6
81.06972	99.5
83.04878	41.3
83.08521	15.7
91.05399	68.3
93.06979	88.0
95.04887	49.6
95.08520	52.8
98.97466	25.0
105.06993	55.5
107.08528	53.2
109.10107	15.3
111.04398	58.8
111.08008	13.9
116.98534	12.1
117.06956	19.2
119.08521	34.1
121.06410	8.1
121.10101	53.3
131.08525	13.8
134.99643	33.8
135.11641	11.1
142.55882	7.9
145.10100	34.8
149.01273	7.6
149.09581	11.6
159.11714	8.5
163.11116	11.7
179.10521	8.0
185.13261	11.0
223.13156	10.8
275.19870	37.4
327.19223	9.6
330.77441	7.4
358.16043	9.6
367.24728	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	367.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97109	1.1
52.50053	0.9
54.81879	1.1
55.05453	8.1
57.07011	1.6
66.42753	1.0
67.05431	7.0
69.06994	11.6
71.08549	18.9
72.04430	40.8
73.59692	1.0
79.05408	5.1
81.06979	12.0
83.08543	2.8
91.05400	7.0
92.10242	5.7
93.06976	9.9
95.04902	1.9
95.08538	11.6
97.06458	1.8
99.08022	9.2
103.08656	2.3
105.06980	5.0
107.08530	9.1
109.06461	7.8
109.10115	5.4
114.09138	6.3
116.15967	1.1
119.08540	5.4
121.10114	2.0
123.08015	1.7
123.11713	1.2
128.10677	2.1
135.11617	1.5
142.12268	1.8
156.13791	1.9
157.04588	1.2
165.12721	13.4
168.13763	1.3
170.15384	1.9
175.14799	1.2
193.15866	1.8
235.16855	1.3
238.21619	14.9
252.97452	1.2
291.23199	13.1
336.28888	100.0
337.29245	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05457	0.6
56.04966	1.0
57.07007	2.5
64.32745	0.4
67.05420	1.0
69.06979	1.8
71.08548	0.6
81.06997	0.6
84.08064	100.0
86.52486	0.5
91.05421	0.5
95.08546	0.6
101.10732	2.2
104.55053	0.5
111.09122	0.9
112.07530	1.1
121.07307	0.4
129.10193	75.7
130.10628	0.5
142.12886	0.4
143.60625	0.5
197.05946	1.0
234.22382	0.5
349.32187	2.3
353.59525	0.5
367.33087	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	368.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36319	1.9
53.03872	3.0
55.01800	3.0
55.05438	22.0
56.96487	9.2
57.03358	5.4
57.06990	9.7
59.04913	5.9
61.02840	4.7
62.29968	2.3
67.05410	15.1
69.03332	15.7
69.06983	100.0
70.06496	11.8
71.04901	10.7
72.08049	4.2
73.02834	2.2
79.05398	17.1
81.06976	48.4
83.04881	3.0
83.08528	18.7
84.04430	3.9
84.08058	14.2
85.02818	38.8
85.06455	4.5
86.09614	5.6
91.05373	13.9
93.06963	91.8
95.04871	3.3
95.08522	71.5
97.02818	4.3
97.06452	16.7
98.97514	5.8
99.04382	3.5
100.11160	4.4
105.06970	5.8
107.08530	94.7
109.10094	67.5
116.98537	11.7
117.87492	2.0
119.08547	5.2
120.08033	9.0
121.08406	2.2
123.11659	13.5
127.03849	9.1
129.10210	2.6
130.06390	2.4
134.99574	4.4
135.11658	91.2
153.12701	66.1
171.13747	13.0
189.14807	14.8
190.95322	5.2
208.96457	17.4
232.96379	5.5
250.97427	12.7
281.39981	2.8
307.21475	2.5
379.86063	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	368.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17060	1.1
53.15697	1.3
55.05443	2.3
57.07000	1.7
67.05431	5.5
69.06976	12.3
79.05392	3.7
81.06976	14.9
83.04890	3.0
83.08533	2.6
85.06475	2.8
91.05376	8.1
92.34961	1.5
93.06975	36.6
95.04887	1.5
95.08527	16.0
105.06977	63.7
107.08540	44.7
109.06435	2.0
109.10111	11.3
111.08002	1.5
117.06992	3.1
119.08537	32.1
121.06413	2.6
121.10081	19.1
123.08010	2.2
123.11648	1.8
129.06960	15.7
131.08521	24.1
133.06424	1.6
133.10115	21.3
135.11688	15.1
142.07706	1.8
143.08543	66.7
145.10097	18.5
147.11646	24.7
149.05920	1.5
155.08522	2.3
157.10095	41.3
159.11684	10.7
161.09569	1.8
161.13184	2.0
163.07498	3.4
165.09158	1.7
169.10117	3.3
171.11647	35.2
173.13214	9.3
175.07501	7.5
175.11002	1.6
177.09019	2.2
179.10649	2.8
181.12206	1.8
183.11711	3.2
185.13216	57.7
186.13887	2.9
187.14706	3.1
189.09058	10.3
190.95389	1.8
191.10611	2.1
193.12198	3.0
195.11661	6.2
195.13814	1.7
197.13252	3.7
199.11169	2.3
199.14778	31.7
201.26030	1.5
203.10614	2.0
208.96278	10.5
209.13228	3.1
210.13971	2.1
211.14827	2.7
213.12650	3.6
217.12254	9.0
225.16240	2.8
227.14235	3.7
227.17892	50.3
231.13719	9.3
237.16386	5.7
241.19484	10.1
245.15282	17.8
250.97542	2.0
251.17761	2.4
255.17407	7.7
259.20709	1.7
269.19003	18.4
273.18378	22.9
287.19995	100.0
288.20392	2.2
297.18506	14.1
298.18396	1.5
301.07614	1.4
315.19458	63.8
333.20544	35.4
353.80817	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48298	1.9
52.65157	2.7
57.03370	27.6
59.04918	4.2
61.02823	2.9
64.32691	2.5
69.03008	4.3
69.03344	78.7
70.06493	12.5
70.38723	2.2
72.08050	2.9
75.04366	3.7
81.03329	6.2
83.52725	2.3
84.08069	4.6
85.02339	5.1
85.02821	100.0
87.04389	35.4
90.94171	2.7
93.87656	2.6
97.02805	47.2
99.04386	3.0
109.02805	4.1
110.07076	11.9
115.03877	29.8
120.08061	2.5
127.03841	13.7
133.04935	33.5
145.04916	14.2
163.05878	2.9
225.23363	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	369.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	15.2
56.96498	100.0
59.44936	5.7
67.05412	12.7
73.67841	5.9
83.08511	10.2
91.05417	8.7
116.98560	8.7
119.08523	7.1
129.54361	7.4
130.93204	8.8
134.99641	11.0
172.94336	15.3
190.95351	69.1
208.96429	91.7
209.38982	6.9
213.08144	12.7
217.07416	10.2
231.08961	51.8
232.96381	34.9
245.91852	7.7
250.97404	87.7
259.12106	31.1
269.10486	55.7
285.10333	7.6
287.11560	42.6
293.61435	7.4
322.95520	7.7
351.18427	39.1
369.19434	97.3
387.20422	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65493	7.5
55.05437	33.9
56.96500	100.0
60.62252	6.7
65.73565	6.7
67.05418	17.0
70.06509	7.2
77.81007	8.4
79.05396	11.4
81.06957	14.9
83.08547	12.3
91.05332	8.2
116.98521	9.2
134.99577	9.8
148.94307	8.6
165.00691	9.5
190.95380	69.3
194.13086	7.9
208.96463	79.6
213.08253	9.2
217.07445	17.4
228.76822	9.2
229.07460	14.1
231.09003	31.8
232.96420	39.5
247.08342	15.1
250.97485	67.6
257.10504	10.1
269.10428	39.5
287.11633	29.7
299.63358	9.0
351.18307	46.2
369.19370	60.1
374.27426	8.6
387.20340	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	4.7
55.01800	15.3
55.05196	3.7
55.05450	100.0
57.03358	12.2
57.07008	3.1
65.68597	2.6
67.05421	54.3
69.03356	2.8
69.06989	29.8
71.04887	2.6
79.05402	39.4
81.03318	12.0
81.06973	63.5
83.04881	12.0
83.08535	81.2
84.94244	2.6
85.06469	3.6
89.17206	2.6
91.05397	44.4
93.06964	42.9
95.04888	11.0
95.08526	26.3
97.06452	12.7
97.10106	2.7
105.06958	45.5
107.08553	30.0
109.06478	4.3
109.10101	12.8
111.08000	14.9
116.98577	4.7
117.06928	3.0
119.08530	22.1
121.06456	21.2
121.10071	15.0
123.11656	5.7
129.06944	5.5
131.08511	17.7
133.10112	32.1
134.99622	5.0
135.07967	3.3
135.11588	5.8
139.11125	10.6
143.08487	3.5
145.10077	9.6
147.08054	3.1
147.11650	15.1
149.09621	5.8
149.13228	12.6
151.11136	10.7
153.00804	3.0
157.10078	6.1
159.11658	3.6
161.13202	4.0
165.12714	5.3
171.11604	3.8
172.94218	2.8
175.11186	3.4
190.95384	16.4
208.96413	24.2
232.96416	13.2
250.97450	18.0
259.20468	5.2
277.21521	34.7
283.20486	2.6
291.05371	4.1
298.96103	2.6
319.22632	3.8
338.16296	12.2
347.16803	5.9
351.25369	30.2
357.09653	3.7
360.08316	3.1
375.11066	18.7
378.10025	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	369.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00236	5.0
53.03872	4.5
54.82027	3.1
55.01810	8.2
55.05217	4.1
55.05452	66.8
56.96488	5.5
57.03375	40.6
57.07001	44.8
59.04929	3.5
60.18604	2.7
67.05425	92.2
69.06980	52.7
71.04890	13.6
79.05409	53.1
81.03323	20.3
81.06512	4.3
81.06972	97.6
83.04881	21.2
83.08534	27.1
84.95127	3.0
85.02818	16.7
85.06482	4.5
85.10100	52.2
91.05402	51.9
93.06962	53.1
95.04862	25.4
95.08513	42.7
97.06454	8.1
97.10078	7.8
105.06963	43.2
107.04903	3.7
107.08535	33.4
109.06444	15.1
109.10098	67.3
113.09583	40.3
117.06877	3.4
119.08543	16.5
119.38754	3.2
121.10054	16.7
123.07970	7.3
123.11658	14.0
131.08533	13.1
133.10104	28.8
147.07993	8.3
147.11626	5.9
149.09599	13.8
151.11124	6.7
159.73064	3.5
161.13185	3.8
165.12706	43.7
169.12109	4.1
172.94127	3.6
181.12210	3.5
187.93629	3.4
190.95370	28.2
208.96371	32.2
227.57182	3.1
232.96339	13.9
238.06090	3.3
250.97458	19.1
277.21600	66.7
295.19452	6.4
295.22601	100.0
296.23193	5.6
351.25049	4.9
369.26282	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	2.4
54.82338	2.4
55.01803	18.8
55.05188	3.6
55.05449	84.1
56.96496	2.2
57.03374	30.7
57.07017	5.4
62.86802	1.9
67.05422	68.7
69.03350	2.6
69.06983	28.3
71.04922	3.1
71.08548	31.3
79.05403	41.5
81.06969	100.0
82.07298	2.7
83.04897	9.8
83.08534	41.9
85.06459	3.9
91.05407	45.5
93.06960	37.9
95.04865	11.6
95.08537	38.4
97.06448	11.4
99.08009	16.3
105.06954	40.8
107.08518	21.2
109.06432	5.0
109.10101	12.4
111.08024	14.8
113.09578	2.8
117.07005	2.7
119.08509	23.5
121.06497	2.7
121.10071	15.9
121.60032	2.1
123.07971	2.9
123.11676	10.2
129.06964	2.7
131.08533	3.7
133.10057	11.7
135.11607	5.6
136.23608	2.2
137.05962	2.9
137.09586	2.4
147.11681	23.1
149.09589	2.5
149.13255	9.1
151.11142	4.1
157.10046	4.5
161.13263	3.7
163.11139	3.4
165.12711	11.9
190.95338	10.6
208.96400	5.4
232.96307	2.5
250.97437	2.9
259.12094	2.3
259.20462	2.3
277.21539	27.2
290.89740	2.2
295.22452	5.1
328.18454	4.9
351.25217	8.9
369.26196	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	369.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90351	1.9
53.03878	3.5
54.86668	1.9
55.01796	10.2
55.05451	32.9
57.03354	10.7
57.07001	9.9
61.78634	1.8
62.01128	1.9
67.05429	90.5
69.06982	32.4
70.72547	2.0
71.08182	3.5
71.08544	65.7
75.69399	1.7
79.05403	80.4
81.03310	9.9
81.06969	75.8
83.04887	27.3
83.08547	15.6
83.85536	2.1
85.06453	5.3
91.05390	46.3
92.10846	2.8
93.06967	100.0
95.04893	26.1
95.08529	62.7
97.06446	14.3
97.10083	4.5
99.08021	29.3
105.06978	26.6
107.04891	12.0
107.08540	43.0
109.06432	3.5
109.10089	23.0
111.04390	2.6
111.08061	3.7
113.09560	3.6
117.06929	4.5
119.08544	23.3
121.10105	26.5
127.11148	2.6
129.06929	2.4
130.67329	2.5
131.08492	4.4
133.10068	17.9
135.11665	35.3
137.09592	3.1
141.09125	3.8
145.10115	5.5
147.11617	3.0
149.13197	4.6
151.11148	28.1
153.05492	2.5
159.11667	3.7
161.13193	16.9
163.11131	10.7
163.14801	2.4
163.89499	2.3
177.12701	2.3
179.12773	4.7
179.14256	72.5
186.98395	2.7
191.10606	3.5
208.96404	3.2
209.11655	4.1
215.64426	2.2
237.11205	9.7
259.20544	3.4
277.21506	43.1
293.17499	5.5
301.48322	2.2
302.70901	2.4
332.99408	2.4
351.25241	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05275	1.3
52.54877	1.6
53.03882	28.9
55.01806	11.5
55.05191	1.5
55.05446	37.2
56.96495	2.8
57.03363	7.5
57.07013	11.7
59.06044	2.6
65.03825	2.0
67.05420	79.6
69.03330	2.1
69.06984	58.0
71.04896	1.9
71.08530	6.4
74.47776	1.4
79.05399	58.9
81.03329	100.0
81.06966	76.7
83.04899	21.3
83.08539	13.1
85.02823	1.9
85.06470	1.8
85.10107	1.7
86.09618	3.1
91.05391	29.5
93.06963	49.7
95.04884	58.1
95.08524	26.1
97.06461	3.7
97.10081	8.6
99.08009	2.0
104.10647	2.1
105.06960	27.1
107.08533	33.8
109.06445	9.3
109.10093	21.6
111.08047	2.7
117.06947	6.3
119.08520	17.5
121.06493	1.7
121.10072	10.3
123.08039	3.3
123.11623	3.5
125.09562	8.8
129.06967	2.4
131.08546	2.7
133.10075	19.2
135.08008	3.6
135.11644	5.7
138.52910	8.2
143.08546	3.8
147.11606	12.2
149.13228	3.0
151.11140	36.7
157.10130	2.1
159.03471	1.6
161.13211	8.9
163.14835	1.6
165.12682	12.7
166.54182	1.6
171.11658	2.9
174.11942	1.5
175.14738	2.0
179.14218	3.7
184.07332	1.5
208.96428	2.5
231.20981	5.7
241.19487	3.2
249.22081	2.1
277.21533	69.1
278.21716	1.9
279.64624	2.1
324.35477	1.7
351.25211	47.4
352.25623	1.7
368.31082	2.1
369.31470	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00229	2.4
53.03884	25.7
55.01797	8.6
55.05193	1.5
55.05447	34.1
56.96494	2.0
57.03359	6.0
57.07010	11.8
59.06049	2.0
62.04729	1.2
67.05080	2.5
67.05422	73.3
69.03335	2.9
69.06983	51.5
71.04905	1.9
71.08574	1.6
79.05406	43.3
81.03331	100.0
81.06966	67.4
83.04887	21.3
83.08527	12.2
86.09589	2.1
91.05396	26.8
93.01170	1.6
93.06965	42.3
95.04885	46.4
95.08521	25.9
97.06452	3.8
97.10084	7.1
105.06973	23.7
107.08536	26.3
109.06459	10.9
109.10093	17.1
111.08016	2.0
113.62678	1.5
117.06926	3.2
119.08553	16.9
121.06444	1.7
121.10091	10.7
123.08025	2.4
123.11651	6.2
125.09594	8.5
129.06953	2.8
131.08501	3.4
133.10083	14.8
134.99568	1.9
135.08035	2.5
135.11618	3.9
138.52911	3.0
145.10057	2.5
147.11627	9.2
149.13240	2.3
151.11157	31.8
154.09782	1.6
157.53815	1.7
161.13171	8.6
163.14632	1.7
165.12694	10.2
166.54160	2.1
171.11606	3.2
175.14844	2.4
178.15848	1.6
184.07274	2.3
205.30196	1.5
208.96336	2.0
216.67575	1.6
231.21010	7.5
232.96291	1.9
241.19518	2.1
249.22083	3.3
250.97438	2.5
259.20422	5.8
259.75592	1.8
277.21545	62.1
278.21884	3.2
337.20581	1.6
351.25174	43.5
369.31342	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	369.2633
Annotation	Cortol
Peak:m/z	Relative Intensity
55.01818	7.0
55.05458	65.4
57.07010	12.9
62.12071	6.1
62.92892	7.7
65.08490	7.3
67.05419	37.2
69.06979	56.5
71.08557	45.4
79.05396	43.3
81.06965	88.8
86.68681	7.3
91.05415	38.7
93.06982	67.4
95.04890	10.9
95.08532	71.5
97.06455	11.0
97.10118	12.2
102.24538	7.9
105.06973	32.4
107.08527	36.4
109.06438	61.8
119.08532	29.9
121.06462	33.8
121.10049	15.0
123.08084	10.3
131.08456	10.5
135.07979	13.6
145.10129	10.7
163.11205	9.0
165.12714	100.0
171.67566	9.6
177.12738	11.1
181.15736	10.1
187.14752	7.6
187.68007	9.1
193.12440	7.6
202.10799	7.9
211.79558	7.6
261.22150	39.6
289.21548	73.4
307.22675	13.7
333.24310	59.2
351.25131	84.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01804	10.3
55.05445	63.4
56.96500	9.7
57.03368	33.6
58.55275	6.6
63.92366	6.7
67.05437	71.6
69.06979	50.0
71.08536	17.1
79.05396	44.0
81.03356	9.3
81.06985	73.7
83.04879	12.9
83.08510	13.7
84.08036	7.6
85.02833	8.6
91.05399	35.9
93.06978	18.4
95.04890	13.8
95.08545	41.7
99.07985	8.4
105.06980	37.8
107.08548	13.0
109.10130	28.9
116.98563	10.4
119.08549	17.2
121.10101	11.8
126.78212	7.6
130.93309	10.2
133.10095	9.6
147.11600	8.0
151.11160	8.9
163.03868	12.1
190.95277	86.6
208.96411	100.0
232.96449	49.0
247.89261	7.6
250.97455	80.1
277.21634	18.0
307.43256	8.7
351.25110	11.0
369.22293	9.7
369.26309	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	369.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10381	6.0
54.82072	6.9
57.07005	35.6
62.31559	7.1
67.05421	10.2
69.06992	15.9
71.08540	16.5
78.14005	7.4
81.06992	9.4
85.46431	7.4
92.10275	10.3
95.08530	11.7
103.08642	100.0
109.71587	7.3
115.66210	8.3
199.50665	7.1
276.37390	8.4
276.40103	8.2
287.33487	8.3
369.29526	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01818	1.3
55.05447	1.3
56.96487	1.1
57.03371	3.2
58.06264	1.3
58.06536	25.9
58.99512	12.9
59.04934	44.0
61.02844	3.8
67.61504	0.8
69.03350	20.1
70.06505	4.8
70.85381	0.8
71.44573	0.7
73.01039	1.6
73.02805	1.4
73.12540	0.7
74.05967	0.9
76.02142	71.6
79.05405	1.0
81.03333	4.4
81.06934	0.9
84.04431	0.9
84.08061	2.0
85.02824	24.1
85.06477	1.2
86.05983	4.7
86.06872	0.8
86.09603	6.2
86.98985	13.9
87.04397	1.2
88.03887	0.8
95.57468	0.8
97.02819	7.2
98.97504	1.2
99.02596	5.5
99.04394	1.5
100.02123	0.9
105.00032	23.8
105.40756	0.9
109.02776	1.0
110.07097	6.9
116.05267	7.0
116.05999	0.7
116.98579	1.3
120.08119	0.9
122.02678	100.0
127.03866	4.0
129.05417	1.8
129.10220	1.0
131.25810	0.8
132.10150	1.4
134.99455	0.9
136.07545	0.9
137.05911	1.5
144.04771	3.4
145.03169	2.0
145.04893	1.2
146.06023	1.2
150.05292	0.9
152.06963	1.1
162.05800	62.1
163.06096	1.1
173.04425	1.4
188.45859	1.0
190.05275	11.1
208.06349	68.6
217.19099	0.8
237.02711	1.5
298.71399	0.9
370.10803	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	2.9
56.96500	4.9
68.24355	3.1
73.48548	2.8
79.05385	3.6
81.52594	2.7
85.02821	3.6
85.93111	3.8
91.05362	4.5
92.11044	3.3
92.75417	2.8
93.06948	3.4
95.04887	12.2
95.25016	3.0
103.05405	85.0
104.06197	5.9
105.06963	16.1
107.04877	21.0
121.06423	7.4
123.04383	7.6
123.07997	2.7
131.04909	33.1
132.05679	4.8
133.02831	3.9
133.06433	7.0
135.04309	3.8
135.08034	7.3
137.05916	4.6
148.05125	5.9
149.02295	12.4
149.05974	47.7
151.03790	3.0
163.03882	4.5
163.07510	18.4
164.08289	100.0
165.08968	3.8
177.00716	3.5
179.03371	28.1
188.75262	3.6
200.61543	3.2
207.02827	20.8
209.04413	48.2
321.07184	3.5
371.11148	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	371.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08112	1.0
55.01803	1.5
56.96511	1.2
67.05440	1.7
69.03340	2.7
69.07006	1.3
70.06503	2.3
71.04929	1.4
79.05397	2.6
81.06970	2.7
82.81595	1.2
85.02835	5.6
91.05379	5.0
93.07022	1.5
94.04096	5.8
95.04893	2.3
98.97542	1.7
103.05383	1.9
105.06956	7.2
107.04871	6.4
107.08533	1.8
115.05448	1.8
119.04837	1.8
121.02850	1.2
121.06447	2.6
122.03606	12.9
131.04926	10.1
133.02885	1.3
133.06453	3.0
135.04341	2.2
137.05951	100.0
145.06451	1.6
146.03554	1.6
147.04335	1.6
150.06705	1.7
159.04370	1.9
161.05927	25.6
165.06990	5.9
167.06996	5.7
172.95514	1.3
177.06873	3.2
179.08549	1.6
185.02345	1.6
189.05463	22.4
193.06514	2.2
194.07324	7.3
202.02592	7.3
205.04984	3.3
205.06485	16.5
207.07904	1.9
209.09586	1.7
210.06795	2.4
211.07684	1.6
216.04140	1.6
217.04912	30.8
219.06387	1.7
221.05910	9.4
222.06708	14.5
225.09076	2.3
229.04878	2.9
233.05847	7.2
234.06688	2.3
235.07626	1.4
237.05438	2.0
237.09068	5.7
238.06245	7.9
249.05438	6.6
250.06189	11.9
253.08502	6.3
261.05289	5.0
265.04843	2.1
265.08582	4.9
266.05667	9.1
275.07004	1.5
277.05051	2.2
278.05670	10.7
281.08026	20.1
293.08041	9.0
295.05859	1.4
306.05261	4.8
309.07483	14.5
321.07498	25.5
326.07764	4.9
341.10107	72.2
341.14304	2.5
342.10489	1.9
353.10159	5.8
371.11145	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1486
Annotation	CHEBI:70603
Peak:m/z	Relative Intensity
53.03901	1.9
54.81865	1.9
54.82106	2.1
55.01796	2.7
55.05441	11.4
57.03380	1.7
59.04945	2.4
59.08167	1.8
67.05431	3.3
69.03325	9.7
69.06968	1.9
70.06474	2.7
79.05405	3.9
79.49427	2.3
81.06986	9.2
83.04899	11.6
85.02824	5.3
87.04395	2.7
93.03312	3.9
93.06984	2.4
95.04905	5.0
95.08513	3.2
97.02829	4.3
105.06998	2.3
107.91207	2.3
125.05972	2.9
133.04900	2.3
141.06940	2.9
152.06165	3.2
153.05371	4.1
163.05945	2.2
165.06960	9.7
167.04897	3.2
167.07060	4.8
167.08527	10.0
169.06421	11.0
171.13753	2.5
173.05905	2.9
178.07759	5.1
179.08391	2.7
181.06462	13.7
181.10062	4.1
182.07213	13.5
183.04393	9.2
183.08023	8.9
184.05161	18.4
185.09557	2.1
190.07706	3.3
191.06970	4.3
193.10091	3.0
194.07236	9.9
195.04341	2.5
195.08038	15.7
196.08803	9.0
197.05962	11.2
197.09612	9.2
198.06735	4.6
199.07500	17.2
201.05446	14.4
205.10092	3.8
207.07979	3.5
208.08832	23.7
209.09581	14.4
210.06731	9.7
211.07452	13.9
212.04659	5.1
212.08200	16.8
213.05385	3.6
213.09120	8.3
223.07527	3.9
223.11150	12.6
225.05435	3.9
225.09050	17.5
226.06270	9.6
226.09868	2.6
227.06966	16.8
227.10637	13.1
228.07732	4.4
229.04927	23.7
235.07518	3.8
236.08281	9.6
237.09117	9.4
238.06244	3.0
239.06947	8.0
240.07722	8.2
240.11447	3.0
241.05020	4.9
241.08583	8.5
242.09210	3.0
243.06387	2.8
243.10255	3.2
244.07268	8.4
245.08148	2.5
247.07272	2.6
250.09796	5.0
251.10617	15.5
253.08556	10.2
254.05716	3.7
254.09351	4.4
255.06444	13.9
255.10040	21.6
256.07199	8.9
256.10550	3.0
257.04404	46.5
257.08118	4.9
257.11670	10.5
259.09616	23.2
265.08453	3.6
267.10101	3.1
268.10742	4.8
269.11658	10.6
270.08853	4.1
271.09601	34.7
272.06729	22.5
272.10196	4.6
278.09396	4.7
279.10056	5.0
281.08002	3.0
283.13269	15.4
285.11060	15.5
286.11850	4.9
287.09048	9.7
287.12671	22.1
296.10416	2.6
300.06116	15.0
311.12729	13.7
312.13504	2.9
313.99866	2.2
314.38702	2.4
315.08612	32.4
315.15933	10.9
328.13095	3.1
341.78195	2.5
343.15329	100.0
353.26007	2.3
371.14841	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81714	1.7
54.99988	1.3
55.01801	1.4
55.05457	1.5
56.96506	2.9
60.78399	1.5
67.05432	2.6
69.03342	9.3
70.06496	1.8
71.04912	2.8
78.04618	3.8
79.05395	15.2
79.41597	1.6
81.06982	2.8
84.08087	1.7
85.02824	11.6
86.09622	3.0
87.04369	2.5
91.05392	9.3
93.06953	2.9
93.89941	1.6
94.04095	2.6
95.04893	7.4
95.08493	2.3
97.02834	9.4
98.97508	9.4
103.05386	6.9
103.10474	1.5
105.06988	22.2
107.04893	19.5
107.08511	2.6
109.06450	2.2
113.98897	1.8
115.03917	3.7
115.05408	8.3
116.98593	10.6
117.07008	1.8
119.04903	2.4
119.08556	3.5
121.06490	2.1
122.03635	1.8
123.04374	13.5
124.05198	6.6
128.06194	3.3
129.06987	13.5
131.04898	11.4
131.08566	2.1
132.05664	3.7
133.06467	11.3
134.99608	6.7
137.05956	10.7
145.04951	2.5
145.06422	3.0
146.99666	2.4
147.04353	1.8
147.08009	3.6
152.04657	5.8
155.04893	1.8
157.06432	1.7
159.08051	14.0
160.05165	2.3
161.05959	10.0
167.06993	100.0
172.05219	6.4
175.07503	20.3
177.00604	2.4
178.07729	4.0
184.05125	2.3
187.07501	19.6
189.06987	2.4
190.07678	2.1
191.07016	3.2
191.08577	3.4
199.07513	8.0
202.07671	2.2
203.08511	8.8
205.06384	1.8
206.07207	3.0
218.07220	8.0
219.07999	6.8
220.08731	2.2
221.09560	8.9
231.08028	3.4
232.08742	2.0
233.09514	4.0
234.06746	6.6
235.07483	8.0
237.02849	2.5
246.06708	3.1
247.07472	3.9
249.09019	11.4
251.06947	2.8
261.09085	7.0
263.06900	2.9
266.09399	2.0
272.06345	2.3
277.08499	7.3
278.09482	1.7
281.11615	13.2
289.08578	2.7
290.09540	1.8
291.06641	1.7
291.09915	2.0
293.11343	1.8
307.09677	3.2
309.11142	7.2
321.11142	3.0
341.13815	9.2
352.13113	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81714	1.7
54.99988	1.3
55.01801	1.4
55.05457	1.5
56.96506	2.9
60.78399	1.5
67.05432	2.6
69.03342	9.3
70.06496	1.8
71.04912	2.8
78.04618	3.8
79.05395	15.2
79.41597	1.6
81.06982	2.8
84.08087	1.7
85.02824	11.6
86.09622	3.0
87.04369	2.5
91.05392	9.3
93.06953	2.9
93.89941	1.6
94.04095	2.6
95.04893	7.4
95.08493	2.3
97.02834	9.4
98.97508	9.4
103.05386	6.9
103.10474	1.5
105.06988	22.2
107.04893	19.5
107.08511	2.6
109.06450	2.2
113.98897	1.8
115.03917	3.7
115.05408	8.3
116.98593	10.6
117.07008	1.8
119.04903	2.4
119.08556	3.5
121.06490	2.1
122.03635	1.8
123.04374	13.5
124.05198	6.6
128.06194	3.3
129.06987	13.5
131.04898	11.4
131.08566	2.1
132.05664	3.7
133.06467	11.3
134.99608	6.7
137.05956	10.7
145.04951	2.5
145.06422	3.0
146.99666	2.4
147.04353	1.8
147.08009	3.6
152.04657	5.8
155.04893	1.8
157.06432	1.7
159.08051	14.0
160.05165	2.3
161.05959	10.0
167.06993	100.0
172.05219	6.4
175.07503	20.3
177.00604	2.4
178.07729	4.0
184.05125	2.3
187.07501	19.6
189.06987	2.4
190.07678	2.1
191.07016	3.2
191.08577	3.4
199.07513	8.0
202.07671	2.2
203.08511	8.8
205.06384	1.8
206.07207	3.0
218.07220	8.0
219.07999	6.8
220.08731	2.2
221.09560	8.9
231.08028	3.4
232.08742	2.0
233.09514	4.0
234.06746	6.6
235.07483	8.0
237.02849	2.5
246.06708	3.1
247.07472	3.9
249.09019	11.4
251.06947	2.8
261.09085	7.0
263.06900	2.9
266.09399	2.0
272.06345	2.3
277.08499	7.3
278.09482	1.7
281.11615	13.2
289.08578	2.7
290.09540	1.8
291.06641	1.7
291.09915	2.0
293.11343	1.8
307.09677	3.2
309.11142	7.2
321.11142	3.0
341.13815	9.2
352.13113	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86767	0.4
52.21511	0.4
55.05454	4.0
57.03369	0.8
57.06995	0.6
62.38252	0.4
65.92628	0.4
67.05415	2.9
69.03357	5.4
69.06973	2.3
70.06493	0.8
71.04874	0.5
72.08044	0.4
75.55922	0.4
76.13127	0.4
79.05402	4.8
80.89346	0.4
81.06979	9.3
81.19888	0.4
83.08525	1.0
84.04412	0.5
84.08065	0.5
85.02801	2.5
86.09595	0.6
91.05414	5.5
93.06980	3.3
95.04916	0.9
95.08529	2.5
96.44576	0.4
97.02821	0.5
100.11180	0.6
105.06985	7.3
107.04887	0.9
107.08540	20.8
109.06467	7.5
109.10115	9.1
115.05403	2.9
117.06985	3.7
119.08558	3.8
121.06469	0.9
121.10105	12.9
122.07255	6.7
123.08022	0.6
131.08545	2.6
133.10100	100.0
134.10423	0.7
135.08023	15.0
135.11613	0.7
137.09596	83.5
138.09933	0.5
140.56706	0.4
145.10062	1.0
147.11653	1.9
149.13243	11.0
151.11166	0.5
158.10889	0.8
163.14793	1.9
173.13246	6.6
191.14288	24.3
209.15332	2.2
371.21637	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03885	4.7
55.01812	4.2
55.05451	4.4
56.04982	0.8
56.96496	2.0
57.03378	7.8
57.07005	1.2
59.04949	1.3
61.02863	13.6
67.05431	5.9
68.33327	1.0
69.03352	35.8
69.06986	5.2
70.06516	9.5
71.01299	0.9
71.04908	5.7
71.12201	0.9
72.08079	4.0
73.02824	3.6
79.05418	4.5
81.03343	17.5
81.06988	9.6
83.04901	5.1
84.04428	0.9
84.08089	6.6
84.62034	0.9
85.02831	73.9
86.09634	7.5
87.04398	4.2
91.03905	2.0
91.05396	4.4
93.06969	6.4
95.04924	8.3
95.08528	9.7
97.02833	23.3
97.06481	1.1
98.97508	1.8
99.04392	3.8
103.05439	1.1
105.06967	10.6
107.08549	13.8
109.02840	6.3
109.06481	13.8
109.10114	6.1
110.07142	1.3
115.03883	1.7
116.98591	3.6
119.08536	6.1
120.03311	0.8
120.08054	1.6
121.06474	1.5
121.10096	20.6
122.07197	1.6
123.08048	11.6
123.11647	6.8
127.03888	12.6
129.10179	1.5
131.08606	1.6
133.10066	5.8
134.99626	1.8
135.08058	5.9
135.11639	1.3
137.05945	2.1
137.09596	13.8
137.13229	1.8
145.04959	10.4
145.10150	1.0
147.11682	4.4
149.09608	29.1
149.13248	9.7
151.11165	50.3
158.10944	0.9
163.06018	1.2
165.12721	83.1
167.07031	5.1
173.13228	1.7
177.00668	1.8
179.28185	1.1
187.07565	1.0
190.96866	0.8
191.07199	1.0
191.14250	10.7
193.15845	3.5
209.15346	100.0
219.01744	0.8
222.38565	0.8
228.73943	0.9
234.04364	0.9
319.84558	0.9
371.16858	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.206
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03885	1.2
55.01812	1.9
55.05445	7.6
55.22609	1.0
56.96495	3.8
57.03364	2.0
57.07005	1.0
59.04919	2.0
59.99846	0.9
61.02848	4.4
65.93846	1.0
67.05423	7.1
69.03344	23.8
69.06976	11.9
70.06510	8.7
71.04890	6.4
72.08046	1.1
75.50249	1.0
76.86163	1.0
77.32378	1.0
79.05389	9.5
79.74938	0.9
81.03324	6.1
81.06969	14.3
83.04887	16.2
83.08535	4.5
84.08065	4.1
85.02340	1.3
85.02820	23.5
86.09611	7.4
87.04371	1.8
91.05380	7.2
93.06980	12.8
95.04884	9.9
95.08516	23.0
97.02826	7.6
97.06451	6.3
98.97501	9.8
99.08017	4.4
105.06966	12.0
107.04879	1.7
107.08525	38.1
109.02863	1.1
109.06438	12.5
109.10109	14.6
110.07102	1.1
111.08021	1.6
115.03887	1.7
115.05380	1.1
116.98560	12.8
119.04868	1.2
119.08528	9.2
120.08040	4.2
121.06441	4.9
121.10092	47.6
123.08039	7.4
123.11636	5.8
125.09560	14.8
127.03869	1.8
129.10133	1.1
131.08499	8.2
133.04912	2.4
133.10075	10.8
134.99609	7.5
135.08017	11.8
135.11609	5.5
137.05927	5.0
137.09566	10.3
139.11147	5.7
143.08481	1.4
145.04892	1.4
145.10120	2.0
147.11623	7.4
149.09558	12.9
149.13217	24.2
151.11143	100.0
152.11337	1.2
153.09109	1.3
158.10855	4.0
158.99605	5.1
159.08006	2.0
161.02948	1.7
161.05914	4.5
163.14757	9.5
165.12689	11.7
167.06940	4.4
173.13148	13.2
175.07486	1.5
177.00702	7.6
185.54875	1.1
191.14243	56.6
209.15312	49.6
219.01665	1.7
235.07272	1.3
311.12708	2.4
367.54010	1.2
371.14856	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	371.206
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03872	2.3
53.42375	1.4
55.05453	18.5
56.04959	9.3
57.03358	9.0
57.07010	2.0
57.29067	1.7
58.98703	1.9
59.04925	1.7
60.04445	1.9
60.43760	1.7
61.02848	2.6
65.03859	1.9
67.05418	16.4
69.03341	32.6
69.06991	29.0
70.06506	43.0
71.04893	12.3
72.08071	19.1
73.02811	1.9
79.05408	19.6
81.03317	4.2
81.06964	20.8
83.04897	24.2
83.05993	3.2
83.08506	9.0
84.04425	18.3
84.08057	38.6
85.02828	34.4
86.09622	25.5
87.04367	3.9
88.03895	2.1
91.05375	18.1
93.06982	22.4
94.51386	2.1
94.77161	1.8
95.04905	24.7
95.08535	34.2
97.02841	15.8
97.06441	9.4
99.08019	3.1
102.05503	2.6
103.05396	3.6
105.06947	18.7
107.04888	3.3
107.08529	82.9
109.06456	14.8
109.10094	20.8
110.07097	17.6
111.08041	4.1
112.08680	2.5
115.03854	2.7
115.08667	1.9
116.06992	2.8
117.06940	3.4
119.08507	11.1
120.08041	18.0
121.06432	12.1
121.10091	38.6
122.07163	2.5
123.04334	2.1
123.07997	11.9
123.11619	2.9
125.09591	7.4
127.03842	3.7
129.10205	17.3
130.04947	3.7
130.06447	3.2
131.08527	10.5
133.02831	3.1
133.10088	100.0
135.08002	21.1
135.11688	4.1
136.07547	3.5
137.05934	3.9
137.09579	40.1
139.11095	2.9
143.08546	3.5
147.11644	16.4
149.09593	2.4
149.13223	19.6
151.11134	69.7
153.09073	7.9
154.03763	2.0
158.10866	4.3
163.14761	11.4
167.06989	8.8
173.13213	23.5
176.75241	1.9
187.07410	2.8
191.14262	78.9
209.15285	23.4
221.04465	2.6
226.80873	1.9
244.12823	2.0
371.16605	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	371.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03873	4.1
55.01802	4.0
55.05452	27.3
56.04973	16.9
56.96527	2.8
57.03370	15.6
60.04454	5.0
60.92627	2.6
61.01074	6.4
61.02866	5.0
67.05437	25.1
68.61622	2.8
69.03351	40.2
69.06985	18.5
70.06509	81.3
71.04912	21.9
72.08064	29.1
73.02819	6.1
74.08695	3.4
79.05411	26.5
81.03321	24.5
81.06981	40.4
83.04912	6.4
83.06007	5.9
84.04420	25.9
84.08062	83.1
85.02830	98.5
85.06460	4.9
86.09618	53.8
87.04375	11.2
87.09917	3.1
88.03901	2.4
88.09688	2.5
88.22239	2.9
91.05392	46.6
93.06962	48.4
95.04856	10.8
95.08530	44.6
96.04432	3.0
96.08826	2.6
97.02811	30.9
97.06454	15.4
98.09640	3.3
98.97499	2.9
102.05502	3.6
103.05376	5.0
104.05262	13.0
105.06967	100.0
106.07378	2.7
107.08534	75.4
109.02818	5.5
109.06474	6.7
109.10087	26.6
110.07119	53.9
111.07427	3.0
115.03927	11.0
115.05424	4.3
115.08632	3.6
116.98667	2.8
117.06961	17.1
119.08527	74.4
120.08072	11.5
121.06501	6.4
121.10107	29.5
123.04400	3.1
127.03890	18.3
129.06958	4.3
129.10213	35.8
131.04897	3.3
131.08525	46.9
133.04956	4.6
133.06432	4.4
133.10094	90.0
133.11015	5.1
135.08047	5.4
135.11668	23.7
137.09558	10.2
145.05017	5.1
145.10147	22.8
146.06435	3.0
147.11674	31.5
149.09578	13.3
151.11171	4.5
158.10822	4.3
158.95013	2.9
161.13249	17.9
163.11145	4.4
163.14822	3.9
165.12701	17.0
173.13231	28.0
179.14272	6.3
184.45000	2.9
191.14261	60.5
193.15848	4.5
209.15350	33.9
223.99852	2.8
247.08377	3.5
261.10095	3.5
263.11688	6.4
307.10645	15.5
323.10141	4.4
353.11206	3.6
370.56116	3.1
371.12573	12.9
371.16638	50.3
371.20871	5.6
371.25287	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	371.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	1.8
54.78090	1.4
55.01793	1.4
55.05450	26.9
56.04958	6.6
56.96479	1.2
57.03347	2.4
57.06998	2.8
60.04437	5.3
63.29622	1.3
67.05403	1.8
69.03358	15.2
69.06966	7.9
70.06142	2.5
70.06506	64.5
71.04917	1.7
72.08066	58.1
74.05981	3.2
76.02116	1.7
81.03311	2.0
81.06959	2.4
82.06486	7.0
83.04890	8.6
83.05361	1.1
83.05987	1.8
83.08536	16.7
84.04420	23.7
84.08057	31.3
85.02821	20.0
85.06454	1.5
86.05971	1.6
86.09620	25.8
87.04385	5.1
87.05489	1.8
87.09957	1.2
88.03881	1.9
91.05389	5.2
93.04492	1.8
93.06961	5.7
94.06481	1.3
95.04919	2.2
95.08518	2.6
97.02814	8.8
98.09593	5.5
100.02129	1.4
100.07540	35.4
100.11177	45.6
102.05435	1.3
103.03831	2.8
103.05408	1.4
105.06948	2.4
107.04871	8.8
107.08511	1.6
110.07117	19.5
111.04379	30.7
112.07530	6.9
112.08692	2.9
115.03867	3.2
115.08630	1.8
116.07029	18.3
119.08538	3.3
120.08031	10.7
126.09129	2.9
128.07048	24.3
129.10196	15.8
130.08600	2.0
131.04837	2.1
131.08508	1.6
133.04935	1.7
133.06381	1.3
135.04346	5.7
136.07533	3.2
137.05919	1.8
138.03069	2.2
139.08664	1.4
140.07019	6.2
146.99577	1.4
147.11562	2.2
149.02325	21.3
153.05437	6.9
157.09659	2.2
163.03903	12.9
163.05907	1.7
166.02567	2.8
166.15700	1.5
169.66716	1.4
181.04883	2.6
182.15363	71.3
191.14302	1.7
193.04967	1.4
194.02097	22.0
204.69072	1.8
209.04399	100.0
209.16478	2.2
210.04707	5.7
210.14847	64.9
227.17462	11.9
244.20065	8.0
256.00586	1.4
256.16528	2.1
337.21069	13.6
354.23810	24.5
371.11234	1.8
371.16742	11.5
371.26532	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	371.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03354	2.7
57.06991	1.6
58.25687	1.1
60.26588	1.0
63.85860	1.1
64.33379	1.2
69.03017	1.3
69.03346	13.1
81.06979	1.7
84.10313	1.1
84.79405	1.1
85.02841	15.8
86.09662	1.2
87.04379	6.5
94.42350	1.1
97.02813	9.6
98.47220	1.2
115.03890	5.8
122.06712	1.2
133.04907	8.2
145.04950	2.2
149.02347	5.8
150.02589	1.5
169.60442	1.2
238.71948	1.3
282.27979	2.2
371.27588	100.0
372.27829	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	371.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76721	2.0
51.82198	1.6
53.00241	5.3
55.05450	12.3
56.96497	9.1
57.03367	10.6
57.07006	31.9
62.81026	2.0
67.05422	40.2
69.03352	27.2
69.06979	12.5
71.08514	2.0
71.09527	1.9
77.44259	2.2
79.05405	14.9
81.06969	37.8
83.08533	12.1
85.02830	24.5
85.10106	55.0
87.04393	11.0
91.05413	35.1
93.06974	13.3
95.08542	22.8
97.02812	18.6
97.06453	4.9
97.10101	3.2
99.08030	2.4
104.89107	2.4
105.06985	12.6
107.08543	12.9
109.10109	11.2
113.09593	48.7
115.03886	9.6
121.10117	9.2
121.31908	2.4
122.03593	8.4
127.03865	3.8
131.08522	5.5
131.10695	3.1
133.04945	11.9
133.10101	36.8
134.30098	2.0
135.08080	2.2
137.05959	100.0
138.06366	2.8
145.04948	4.1
149.09625	9.3
149.13240	14.8
151.11168	4.3
167.14307	9.4
181.15804	3.0
226.11116	13.2
244.12144	11.2
261.22043	3.6
269.29816	2.5
279.23120	42.2
330.68106	14.9
353.26733	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	371.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00242	8.3
53.03878	2.9
54.81764	3.5
55.05445	28.0
55.80198	3.2
56.96498	7.5
57.03365	20.8
57.07013	51.8
67.05421	74.1
69.03356	32.9
69.06979	18.8
79.05395	22.9
81.06965	49.1
83.04874	6.6
83.08524	25.4
85.02820	44.7
85.10104	100.0
87.04387	17.0
91.05387	48.4
92.10789	5.1
93.06956	27.9
95.08527	44.4
97.02814	22.4
97.06455	7.3
97.10105	6.9
103.50824	3.5
105.06972	25.5
107.08554	25.5
109.10106	4.7
112.44930	3.5
113.09581	66.7
115.03889	19.6
115.30246	3.2
121.10107	8.5
127.03889	3.8
131.08481	8.7
133.04919	12.5
133.10089	60.7
137.05946	4.7
145.04945	6.6
147.11601	4.1
149.09560	6.6
149.13211	24.7
151.11148	18.2
167.14243	14.3
181.15886	5.8
243.21010	6.0
261.21991	14.3
279.23132	53.7
300.21765	4.0
312.21817	3.6
353.26865	46.5
353.63263	4.4
372.23871	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76617	0.8
55.01813	1.7
57.03103	1.3
57.03371	32.2
59.04927	5.7
60.04454	1.5
61.02840	6.9
63.87502	1.1
69.03345	86.4
71.44241	1.1
73.02818	1.8
75.04380	1.7
76.09628	1.3
81.03326	6.7
85.02820	100.0
85.77605	1.2
87.04385	41.7
91.03876	2.5
92.10853	1.9
97.02816	57.5
99.04372	2.4
103.03879	1.3
109.02811	6.4
115.03873	42.6
127.03860	13.3
130.39413	1.0
133.04927	43.1
145.04935	21.2
150.07628	2.1
154.87303	1.3
163.05954	9.7
211.03484	1.2
223.11874	1.7
241.06998	1.3
295.09958	1.3
321.72025	1.2
341.32886	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14452	0.8
53.03875	1.1
55.01801	1.0
57.03104	1.2
57.03369	28.5
59.04920	2.5
60.04449	1.8
61.02842	5.6
69.03344	73.8
73.02812	2.3
75.04378	5.7
80.25829	1.0
81.03316	2.4
85.02819	100.0
87.04383	49.5
89.48487	1.1
91.03879	2.2
92.42748	0.9
97.02812	50.6
99.04371	2.5
103.03838	1.0
109.02808	5.3
115.03067	2.1
115.03867	46.3
127.03856	11.4
133.04918	39.1
140.52953	1.0
145.04906	14.6
150.07585	4.8
163.05984	11.6
223.11815	1.3
259.08017	1.4
277.09079	1.0
289.94846	1.1
295.10117	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	372.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	1.6
56.04962	3.3
57.03359	3.7
57.07003	3.4
58.06529	1.2
64.33607	0.6
67.05415	0.9
69.03353	8.5
69.06984	1.1
70.06497	0.8
72.04431	55.3
72.99778	3.6
73.04717	0.9
74.05982	1.3
75.04378	0.6
81.31203	0.7
83.08531	0.8
85.02393	0.8
85.02830	10.6
87.04381	5.8
88.02141	100.0
88.07552	10.5
95.08543	1.3
97.02824	6.0
99.04342	0.9
106.08618	0.9
109.50832	0.7
115.03888	6.0
119.08514	0.8
121.06448	2.7
127.03954	0.8
133.04974	5.4
137.04251	1.3
144.75919	0.8
145.04936	1.2
150.07645	0.8
177.12779	2.6
180.08388	0.8
196.07950	2.5
208.07858	3.0
213.64299	0.6
279.10858	0.7
316.13611	13.2
324.32477	5.2
372.26001	0.8
372.34531	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	372.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01806	4.1
55.05451	45.6
56.04972	6.9
56.26110	3.4
57.03371	35.2
57.07006	9.3
58.06512	5.1
61.02856	5.8
67.05426	100.0
69.03350	68.3
69.06975	41.8
73.82310	3.6
74.05979	5.5
78.71866	4.5
79.05412	32.7
81.06970	98.5
83.08540	30.0
85.02827	85.7
87.04404	35.7
88.07539	58.8
89.70021	4.0
91.05412	15.7
93.06979	29.2
95.08528	97.0
97.02821	44.8
97.06435	7.2
97.10114	9.9
105.06964	8.4
107.08550	9.9
108.39126	3.7
109.10111	44.7
111.11652	6.1
115.03861	33.0
118.08615	6.2
119.08505	21.4
121.10089	15.9
122.71814	4.0
123.11710	13.6
127.03861	15.1
132.07129	4.3
133.04958	31.0
133.10075	9.3
145.04913	9.0
145.66147	3.8
149.76755	4.0
161.13263	7.2
165.16290	4.3
245.22601	27.5
263.23575	37.1
273.24698	4.9
297.11893	4.4
324.32587	28.8
337.27252	22.1
372.34686	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	372.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00237	1.5
53.03888	1.5
54.58485	1.1
55.05450	30.2
56.04967	2.7
57.03373	12.1
57.06776	1.2
57.07016	11.5
64.28145	1.4
67.05428	100.0
67.05787	3.2
69.03345	20.7
69.06987	27.0
71.04901	1.9
71.08547	3.1
72.94006	1.4
74.05994	1.6
74.94750	1.2
75.04391	1.8
76.63477	1.4
78.53677	1.4
79.05403	26.2
81.03343	1.7
81.06979	99.7
82.07312	1.6
83.04930	2.9
83.08540	19.8
85.02827	25.8
85.06471	1.6
85.10131	1.9
87.04401	13.3
88.07555	15.3
91.05411	20.2
92.11041	1.7
92.33127	1.5
93.06973	28.2
95.04937	1.7
95.08533	83.7
97.02837	13.1
97.06444	6.2
97.10131	10.5
99.08033	1.9
105.06973	16.5
107.08521	16.8
107.31609	1.5
109.10113	36.9
112.63249	1.4
115.03883	10.8
118.53621	1.7
119.08546	15.4
121.10092	19.3
122.26034	1.6
123.11629	11.9
127.03927	3.5
133.04944	10.7
133.10097	14.7
135.11673	9.1
137.13216	3.0
145.04941	2.2
146.37587	1.5
147.11684	6.2
149.13184	5.6
151.14798	2.1
157.73491	1.4
161.13220	10.4
163.14835	6.9
165.16344	2.2
175.14787	5.5
177.16403	1.6
178.30055	1.3
179.17915	2.8
189.16426	2.1
192.71968	1.8
245.22575	29.1
263.23639	32.5
295.09842	1.6
324.32584	5.9
337.27441	19.1
354.33429	1.4
372.34531	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	372.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	0.8
57.03363	1.4
57.07008	1.4
65.03852	1.1
65.34223	0.7
69.03337	3.8
69.06992	1.1
81.06946	0.8
85.02810	4.2
87.04405	1.6
88.07571	3.3
91.05405	100.0
95.08556	1.0
97.02827	2.7
100.47347	0.8
106.06504	0.7
108.08050	1.1
114.37511	0.7
115.03840	1.5
127.03861	0.9
133.04942	1.6
138.52194	0.7
276.47769	0.8
318.47778	0.7
372.32474	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	373.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	1.2
55.01802	2.4
55.05441	2.4
56.96489	1.6
57.03373	2.1
59.85540	0.9
65.03855	2.2
65.26221	1.0
67.05415	1.9
69.03342	11.4
69.06966	1.6
70.06506	25.8
72.08059	5.2
73.02831	1.3
79.05400	5.0
81.03321	2.3
81.06972	2.4
83.04900	1.2
83.06007	2.1
84.04425	4.8
84.08051	6.1
85.02831	12.3
86.09627	15.2
87.04382	4.8
91.05402	9.8
93.06959	5.0
94.04104	4.5
95.04885	5.3
95.05946	1.3
95.08540	2.1
97.02818	9.5
98.97498	1.4
102.05449	1.3
103.05385	2.5
105.06937	8.1
107.04908	2.4
107.08519	1.3
109.02881	1.2
109.06438	2.0
109.10029	1.0
110.07116	14.8
111.04393	5.3
115.03875	7.0
115.05396	6.3
116.07029	9.5
117.06995	1.1
119.04903	4.5
119.08578	1.4
120.08056	5.0
121.06445	2.5
122.03611	12.1
125.05959	4.5
127.41382	1.1
129.10191	1.2
130.06494	2.6
131.04913	5.0
133.04926	2.6
133.06454	2.6
134.99695	1.9
135.04390	1.4
135.08041	1.7
137.05946	100.0
144.05695	1.3
145.02785	1.3
145.06448	5.5
147.04373	2.4
149.05971	1.7
150.06744	1.8
151.03851	2.1
151.07561	1.4
153.05446	1.5
159.04413	1.5
160.05159	4.2
161.05978	9.1
163.03818	1.6
165.06931	1.4
167.07037	5.3
168.79250	1.1
173.05922	6.2
175.07512	2.2
176.06090	1.1
177.05515	1.3
177.06911	2.5
178.07748	2.0
179.07031	1.1
179.08554	1.7
181.06459	1.7
186.03105	4.4
189.05418	1.6
194.07208	2.6
195.08038	1.5
197.05936	1.2
201.05455	17.0
203.06990	11.2
205.06461	11.9
206.07254	2.3
207.06451	6.6
207.08128	1.2
211.07509	1.6
219.06436	4.0
221.05905	2.7
222.06723	7.8
223.07513	2.4
233.05969	11.5
234.06689	5.4
235.07402	2.5
236.08167	1.4
237.09111	9.2
239.07005	2.5
240.07841	1.3
249.05264	1.8
250.06268	9.1
251.06898	5.7
252.07472	1.5
253.08525	1.7
261.05356	2.0
262.06317	1.5
263.06940	2.3
264.07578	1.8
265.08606	15.2
267.06555	1.6
268.07190	1.9
269.08359	1.1
277.08551	2.1
278.05682	2.3
283.09497	5.5
290.16293	1.7
292.07175	5.1
293.07874	9.1
297.11044	2.6
305.08002	1.8
307.09576	10.4
310.08401	1.7
311.08978	1.9
313.10406	1.1
322.08038	1.3
325.10645	23.9
343.11703	5.2
355.11331	1.5
386.08322	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96836	0.7
53.03886	1.3
55.01815	1.7
55.05441	3.1
56.04967	1.8
57.03370	1.0
60.04448	3.9
62.53965	0.6
65.03852	0.9
66.93983	0.6
67.05434	1.0
69.01366	0.6
69.03343	5.0
69.06976	3.1
70.06139	1.0
70.06507	26.4
72.08065	23.3
74.05988	1.8
74.57477	0.6
78.76676	0.7
79.05398	1.3
81.06983	1.0
82.06509	0.9
84.04413	9.6
84.08066	19.3
85.02816	7.7
86.09623	33.3
87.04402	4.2
87.09978	0.8
88.03909	1.1
91.05391	17.2
93.06973	1.1
94.04111	1.5
95.04884	5.0
97.02824	3.8
102.04618	1.3
102.05482	3.1
103.05399	4.3
105.03349	0.8
105.06967	3.2
107.04893	5.1
107.08564	0.9
109.02827	0.8
109.06466	1.2
110.07122	5.8
112.08705	1.2
115.03858	1.0
115.05389	8.5
115.08633	1.6
116.06250	0.7
116.07015	1.2
117.06981	4.4
117.18057	0.7
118.44743	0.9
119.04887	13.1
119.08530	1.0
120.08016	6.4
121.06451	3.4
122.03573	6.4
124.05154	1.8
129.10194	7.9
130.04129	3.6
130.08620	1.1
131.04889	3.2
132.10101	0.8
133.02853	1.1
133.04942	2.5
133.06430	3.7
133.10121	0.9
134.99620	0.9
135.04393	6.1
136.07562	1.0
137.05940	53.5
143.04918	4.6
145.02835	1.0
145.06464	14.9
147.04393	13.7
149.05957	3.6
150.06770	8.9
151.03850	1.6
151.07469	1.1
154.01782	0.7
154.03195	0.9
157.03990	0.8
158.03616	12.2
159.04333	1.6
160.05154	1.7
161.05879	5.3
162.03156	0.9
162.06761	3.0
163.07521	1.1
167.06906	1.0
173.05923	32.0
173.12848	1.2
175.03880	4.3
175.07451	1.8
176.06107	0.8
177.05443	3.1
177.06924	1.8
178.07787	1.1
179.07018	0.9
186.03081	8.1
187.03909	1.4
189.05399	1.3
191.06969	1.2
193.04860	1.0
194.07286	3.2
201.05417	100.0
204.04068	1.3
205.06488	14.4
206.07237	1.8
207.06389	1.7
207.08136	1.1
211.07501	0.9
217.06493	1.7
219.06378	9.8
221.05965	3.5
222.06754	6.9
233.05933	10.1
234.06624	6.0
235.07463	1.5
237.08998	9.8
239.06888	1.4
244.05009	1.3
245.05936	0.9
247.07426	1.5
248.08154	0.9
249.05385	3.5
249.09135	1.4
250.06233	10.5
251.06895	4.1
254.09256	1.0
261.05490	1.1
262.06198	6.0
263.06934	1.2
264.07751	1.7
265.08533	16.0
266.09308	1.6
267.06329	1.5
277.05029	1.0
277.08496	3.1
278.05673	4.2
279.06415	1.6
279.09912	1.4
283.09546	0.8
290.05658	1.6
292.07358	7.3
293.08023	10.9
294.08786	1.4
297.11243	4.0
305.08038	3.1
307.06052	1.3
307.09521	11.9
310.08228	2.9
322.08383	1.2
323.09158	0.9
325.10648	26.9
337.10571	4.0
343.11624	1.7
355.11652	9.2
373.13507	1.0
373.18243	10.5
391.28009	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2214
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
50.58907	0.4
52.13403	0.4
52.95763	0.4
53.03891	0.4
53.22208	0.4
54.81918	0.5
55.01803	0.5
55.05446	10.2
55.15377	0.4
55.78097	0.4
57.03357	1.1
57.07007	4.5
58.29234	0.4
59.04929	2.1
60.24150	0.4
61.02851	1.0
67.05425	20.5
69.03348	10.0
69.06985	15.1
71.04896	2.8
71.08540	0.6
78.91626	0.5
79.05409	4.1
81.06506	0.8
81.06970	22.6
83.04898	12.8
83.08533	9.2
85.02824	8.7
85.06460	2.7
86.09617	0.6
91.05385	2.2
93.06964	10.0
95.04890	2.4
95.08527	39.2
97.02820	2.1
97.06464	1.1
97.10104	2.4
99.08013	2.9
105.06976	6.0
107.07785	0.6
107.08530	23.1
109.06467	12.6
109.10101	100.0
110.10435	1.0
111.08025	3.6
113.09618	1.0
119.08530	23.1
121.10091	9.1
123.08019	12.9
123.11657	9.2
125.09596	2.1
127.03915	0.6
130.37309	0.5
133.10083	19.0
134.10393	0.6
135.11655	70.2
136.12007	2.4
137.09586	18.4
137.10580	1.0
138.09914	0.5
139.11154	2.3
149.13225	5.9
151.11139	12.0
151.14780	10.8
153.12730	2.6
165.16324	2.8
175.14781	23.2
193.15843	29.0
194.16142	0.6
211.16887	47.4
212.17282	2.1
251.29703	0.5
326.68558	0.6
378.06982	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	2.0
53.14238	1.7
55.01813	4.3
55.05458	19.2
56.96504	3.0
57.03366	8.9
57.06999	4.2
61.02846	3.1
67.05437	18.7
67.68511	1.7
69.03345	20.5
69.06998	19.8
70.06528	3.3
71.04547	3.7
71.04911	75.1
79.05416	22.6
81.03345	3.0
81.06978	100.0
82.52655	1.9
83.04874	2.7
83.08537	5.3
85.02830	38.0
85.06466	42.7
86.03191	2.3
86.09604	2.0
87.04387	11.9
91.05401	16.1
93.06976	51.6
95.07962	3.7
95.08536	86.0
96.30973	2.4
97.02818	11.9
97.06446	4.5
97.10081	10.9
97.55630	2.2
98.97453	3.2
99.08025	10.8
100.11221	1.9
103.05396	2.4
105.06990	26.2
106.07352	2.1
107.08543	60.8
109.02794	2.7
109.06527	3.1
109.10106	25.8
111.08005	19.2
116.04194	2.8
116.98559	4.9
119.08533	29.0
121.10102	29.5
123.07977	2.4
123.11662	31.1
127.03932	3.1
129.09087	3.0
133.10115	23.8
135.07956	2.8
135.11653	20.1
137.05920	10.2
145.04936	3.5
147.11662	14.2
149.05898	2.4
149.13237	31.7
151.11189	4.8
163.14795	72.8
167.06981	4.9
175.14799	17.3
181.15837	47.8
193.15846	30.3
211.16899	93.2
212.17294	2.6
361.49316	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	373.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25525	1.3
53.03893	1.4
53.23738	1.6
55.01807	3.1
55.05454	15.4
56.96492	2.9
57.03364	9.1
57.07013	1.6
61.02836	3.7
62.01641	1.6
63.96753	1.8
67.01939	1.6
67.05424	19.8
69.03345	17.2
69.06991	18.3
70.06510	2.4
71.04909	72.8
73.02808	2.0
79.05414	19.5
81.03302	1.8
81.06975	100.0
83.04912	2.1
83.08528	14.4
84.04429	1.8
85.02829	32.3
85.06463	40.1
86.03177	1.9
86.09636	4.2
87.04384	10.6
91.05402	17.5
93.06968	49.2
95.08534	83.6
96.08874	1.9
97.02802	4.4
97.06454	11.1
97.10113	9.8
98.97492	2.7
99.08006	8.2
103.05402	3.4
105.06976	25.2
107.08538	48.3
109.02818	2.1
109.06480	1.9
109.10119	18.1
111.08048	20.9
115.03852	2.3
116.98586	3.5
117.06991	1.9
119.08527	25.3
121.10098	26.4
123.08000	2.0
123.11654	25.8
127.03856	2.5
131.04898	7.6
131.08595	2.6
133.10104	18.0
134.99580	7.1
135.11696	19.8
137.05945	4.0
141.12648	1.9
147.11632	15.1
147.54176	1.9
149.13226	22.5
151.11185	2.1
163.14774	58.0
167.06972	4.4
175.14734	13.0
181.15814	38.1
193.15845	20.6
211.16888	71.8
245.32245	2.1
346.65750	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	373.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01818	4.2
55.05440	19.5
56.75211	3.2
56.96506	4.8
57.03375	8.5
58.79403	3.4
61.02824	4.0
65.49033	3.7
67.05415	29.2
69.03344	39.3
69.06970	15.4
70.03659	4.1
71.04906	84.9
77.85468	3.7
79.05404	26.3
81.06968	100.0
83.08522	9.6
85.02830	37.2
85.06470	40.7
87.04385	19.0
91.05382	24.0
93.06960	61.5
95.04897	6.6
95.08531	96.7
97.02814	22.4
97.06466	15.5
99.08008	5.3
103.05410	5.0
105.07002	33.8
107.07960	5.0
107.08543	73.4
109.02831	5.4
109.10103	27.1
111.08027	25.0
114.13717	3.7
115.03935	7.2
116.98560	7.5
119.01842	8.5
119.08539	45.0
121.06387	4.1
121.10104	35.5
123.08042	5.0
123.11637	33.0
127.03922	5.6
131.08614	5.2
133.04910	5.2
133.10085	27.4
134.99667	6.5
135.11679	20.4
137.05971	9.8
147.11684	20.9
149.13254	29.0
151.11229	4.6
161.02910	16.3
163.14772	60.8
167.06960	24.8
175.14796	19.4
177.00723	4.4
181.15807	41.5
193.15822	22.7
196.77608	3.9
211.16901	84.3
242.84315	4.7
253.82730	4.3
257.36380	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2216
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
50.19189	0.7
52.42799	0.6
54.45619	0.6
54.50040	0.6
55.05442	11.6
56.96488	1.4
57.03379	2.9
57.07017	2.9
59.04925	3.7
59.21536	0.6
61.02860	1.6
65.03858	1.0
67.05422	20.3
69.03343	12.9
69.06987	14.9
70.03671	0.9
70.06505	8.3
71.04902	5.3
72.08057	3.1
79.05399	6.6
81.03340	3.4
81.06972	22.1
81.68749	0.8
83.04898	12.0
83.08539	7.1
84.08054	4.1
85.02824	12.5
85.06471	3.3
85.34657	0.8
86.03143	0.8
86.09623	7.2
87.04401	1.2
91.05401	5.1
91.43374	0.8
93.06969	12.0
95.04893	4.1
95.08525	33.3
95.09133	1.2
96.49295	0.7
97.02823	4.7
97.06474	1.1
97.10102	1.4
98.97535	2.7
99.08026	3.1
100.02123	1.4
103.05398	6.9
105.06991	8.4
107.04909	2.8
107.08530	21.4
109.00761	0.7
109.02834	1.6
109.06451	10.7
109.10101	100.0
110.10480	3.0
111.08043	1.2
113.09549	0.9
115.03881	0.8
116.98589	1.6
118.37039	0.8
119.04836	0.9
119.08533	26.9
120.08070	2.5
120.08842	1.0
121.06458	1.1
121.10076	10.7
123.04382	3.4
123.08018	13.7
123.11646	8.7
127.03896	1.9
131.04851	7.5
133.04903	1.0
133.06470	1.2
133.10077	15.9
134.99652	1.1
135.04243	0.9
135.07974	0.8
135.11653	67.4
136.12019	1.2
137.05974	5.4
137.09589	18.6
139.11128	1.3
147.11728	1.2
149.13229	5.2
151.11121	8.6
151.14787	12.0
153.12741	3.1
161.05968	1.4
163.07475	3.8
165.12688	1.3
165.16336	1.7
167.06998	32.4
175.14767	27.6
176.15013	1.0
193.15836	30.3
201.05516	0.8
203.06970	3.9
211.14890	1.7
211.16888	49.1
212.17288	1.4
240.07634	0.8
310.96527	0.8
311.09189	1.2
373.24780	1.7
389.05582	0.9
391.43112	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2216
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
50.19189	0.7
52.42799	0.6
54.45619	0.6
54.50040	0.6
55.05442	11.6
56.96488	1.4
57.03379	2.9
57.07017	2.9
59.04925	3.7
59.21536	0.6
61.02860	1.6
65.03858	1.0
67.05422	20.3
69.03343	12.9
69.06987	14.9
70.03671	0.9
70.06505	8.3
71.04902	5.3
72.08057	3.1
79.05399	6.6
81.03340	3.4
81.06972	22.1
81.68749	0.8
83.04898	12.0
83.08539	7.1
84.08054	4.1
85.02824	12.5
85.06471	3.3
85.34657	0.8
86.03143	0.8
86.09623	7.2
87.04401	1.2
91.05401	5.1
91.43374	0.8
93.06969	12.0
95.04893	4.1
95.08525	33.3
95.09133	1.2
96.49295	0.7
97.02823	4.7
97.06474	1.1
97.10102	1.4
98.97535	2.7
99.08026	3.1
100.02123	1.4
103.05398	6.9
105.06991	8.4
107.04909	2.8
107.08530	21.4
109.00761	0.7
109.02834	1.6
109.06451	10.7
109.10101	100.0
110.10480	3.0
111.08043	1.2
113.09549	0.9
115.03881	0.8
116.98589	1.6
118.37039	0.8
119.04836	0.9
119.08533	26.9
120.08070	2.5
120.08842	1.0
121.06458	1.1
121.10076	10.7
123.04382	3.4
123.08018	13.7
123.11646	8.7
127.03896	1.9
131.04851	7.5
133.04903	1.0
133.06470	1.2
133.10077	15.9
134.99652	1.1
135.04243	0.9
135.07974	0.8
135.11653	67.4
136.12019	1.2
137.05974	5.4
137.09589	18.6
139.11128	1.3
147.11728	1.2
149.13229	5.2
151.11121	8.6
151.14787	12.0
153.12741	3.1
161.05968	1.4
163.07475	3.8
165.12688	1.3
165.16336	1.7
167.06998	32.4
175.14767	27.6
176.15013	1.0
193.15836	30.3
201.05516	0.8
203.06970	3.9
211.14890	1.7
211.16888	49.1
212.17288	1.4
240.07634	0.8
310.96527	0.8
311.09189	1.2
373.24780	1.7
389.05582	0.9
391.43112	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00244	0.6
55.05439	2.3
56.04972	4.5
56.96479	0.8
57.03358	0.9
58.09965	0.5
60.04445	0.5
61.02856	0.4
61.63630	0.4
66.47629	0.4
67.05412	3.6
69.03355	3.7
69.06982	7.0
69.88293	0.4
70.06505	12.4
71.04909	0.9
72.08062	5.2
74.05976	0.6
79.05420	1.1
81.03331	0.7
81.06973	4.8
82.29393	0.5
83.04911	1.0
83.06018	40.1
83.08527	0.9
84.04424	51.5
84.07598	0.6
84.08063	11.4
84.69212	0.4
85.02808	5.9
85.04714	0.4
86.09621	100.0
87.04397	0.6
87.09963	0.9
88.03899	0.6
91.05397	2.9
93.06966	3.1
95.04884	0.7
95.08513	5.4
96.04404	2.1
97.02822	1.1
98.64367	0.5
98.97486	0.7
99.08017	0.9
101.07078	6.3
102.05455	2.2
103.05408	1.8
105.06970	4.8
107.04907	0.8
107.08524	4.3
109.06467	1.1
109.10091	9.8
110.07108	2.6
111.08027	0.6
113.07069	3.4
115.05432	0.6
116.98567	0.6
117.06935	0.8
119.04882	0.6
119.08529	6.0
120.08038	6.4
121.10110	1.8
123.08012	0.9
123.11649	2.4
124.11214	0.5
125.05887	0.4
129.06552	10.5
129.10194	5.6
130.04991	0.8
130.06419	0.6
131.04939	0.6
131.08539	0.6
132.10159	18.8
133.04863	0.7
133.06425	0.8
133.10101	4.2
135.08070	0.7
135.11650	6.1
136.07591	0.6
137.05928	4.0
137.09578	1.9
141.06551	5.1
141.10147	0.5
145.06432	1.1
147.04442	0.8
147.08017	0.5
147.11659	0.6
149.05974	0.7
149.13226	0.6
151.03943	2.8
151.11194	0.7
151.14868	0.8
152.10689	6.5
160.05254	0.7
161.05869	0.8
167.07021	2.6
169.13351	2.3
173.05920	1.0
175.07510	3.0
175.14757	5.1
177.10280	0.5
186.03204	0.7
193.08563	1.0
193.15836	3.5
196.14403	24.3
197.12799	18.6
197.14583	0.6
201.05443	5.4
205.06578	0.7
211.16908	2.0
214.15500	6.7
215.13892	3.1
224.13911	5.6
225.12314	3.2
225.26178	0.5
229.05067	0.5
233.91194	0.5
237.09036	0.6
242.14876	6.2
243.13409	0.9
245.18568	0.8
251.06949	0.5
263.37921	0.5
265.08578	0.8
293.08041	0.5
325.10648	1.1
355.23264	12.8
356.21689	0.7
373.24371	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05423	0.6
56.04957	0.5
57.03367	2.0
61.02845	4.0
69.03335	5.8
69.59988	0.4
70.06509	4.8
71.04893	1.0
72.08051	2.4
72.59751	0.4
73.02802	0.8
77.27352	0.4
77.65917	0.4
81.03316	2.5
84.04395	0.9
84.08061	7.2
85.02816	21.0
86.09615	4.2
89.03832	6.1
91.03877	0.7
91.05402	0.7
96.08028	2.6
97.02802	7.0
104.45395	0.5
109.02821	2.0
110.07050	0.9
116.98550	0.5
117.03310	21.3
120.07994	0.6
121.27632	0.4
122.09627	0.6
127.03819	3.2
128.49580	0.4
129.10168	2.7
130.10448	0.6
134.03592	2.9
134.05963	3.3
135.04382	4.3
145.02803	64.0
145.04868	2.3
146.03127	1.0
148.07526	0.6
149.05936	11.1
152.07019	22.8
153.05455	0.8
163.03847	5.9
166.08571	0.6
177.05414	100.0
178.05763	1.9
194.08063	11.5
195.06468	30.3
197.57257	0.5
212.09071	0.7
228.88631	0.5
294.09406	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2285
Annotation	Ile Leu Glu
Peak:m/z	Relative Intensity
50.08820	0.2
53.88338	0.2
56.04959	0.2
57.03357	0.3
60.04476	0.2
61.02854	0.2
69.03368	0.8
69.06989	6.6
70.06512	1.4
72.08074	0.9
75.09734	0.2
81.03335	0.3
81.75742	0.2
84.04427	3.0
84.08070	1.0
85.02831	1.7
86.09629	100.0
87.09962	1.3
94.87193	0.3
97.02827	0.5
98.68581	0.2
98.97540	0.4
102.05491	1.2
102.11961	0.2
110.07114	0.3
114.11526	0.2
125.05978	0.4
130.04974	2.1
132.45317	0.3
145.02884	0.4
148.06038	4.8
149.05966	0.9
153.05417	1.2
177.05371	1.6
195.06543	1.1
199.18040	11.4
227.17502	8.5
261.14420	4.1
374.15009	0.4
374.22806	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2286
Annotation	Glu Ile Leu
Peak:m/z	Relative Intensity
56.04974	1.7
57.39354	0.2
60.04462	0.3
67.05406	0.2
69.03376	0.3
69.06991	9.2
69.07343	0.5
70.06514	2.6
72.08068	0.6
83.06007	0.2
84.04431	34.8
84.08063	1.9
85.02848	1.1
86.09631	100.0
87.09979	1.2
96.04408	0.5
102.05478	15.3
110.07115	0.4
111.58111	0.3
113.07094	0.4
114.09150	0.4
120.08099	0.5
129.06566	13.4
129.10167	0.5
132.10172	15.8
137.06013	0.6
141.06586	0.4
152.10709	1.9
154.50520	0.3
159.13817	0.2
169.13297	0.5
170.11722	6.7
197.12822	13.5
198.13243	0.3
215.13875	20.3
225.12292	2.7
243.13353	4.3
245.18733	0.5
296.79892	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2283
Annotation	Glu Ile Leu
Peak:m/z	Relative Intensity
54.81242	0.3
56.04964	1.8
59.75788	0.2
60.04435	0.3
68.04949	0.3
69.06987	2.4
70.06499	0.7
72.08048	0.5
72.63586	0.3
73.44501	0.2
75.48280	0.3
83.06006	0.3
84.04425	33.5
84.08067	1.2
84.12573	0.3
85.02825	0.6
86.09624	100.0
86.65830	0.3
87.04365	0.4
87.09953	0.7
96.04412	1.8
102.05474	16.2
107.08529	0.4
110.05954	0.3
113.07059	1.9
120.08049	0.5
124.11241	0.5
129.06564	4.0
132.10165	16.9
141.06540	2.8
152.10640	2.5
155.08084	0.4
170.11739	4.1
184.51520	0.3
197.11043	0.6
197.12817	12.7
215.13873	18.1
216.14160	0.4
225.12283	3.1
243.13350	6.5
245.18631	1.2
307.22983	0.3
338.20798	0.5
356.21765	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05446	0.2
56.04977	0.3
56.96508	0.4
58.55841	0.2
60.04461	7.4
67.05435	0.2
68.04945	0.2
69.03352	0.3
69.06991	2.2
70.06509	0.5
70.88889	0.2
72.08077	0.4
72.62995	0.2
79.05421	0.3
81.03331	0.4
83.05003	0.2
84.04460	1.5
84.08070	1.1
85.02834	0.5
86.09631	100.0
87.09983	0.4
91.05419	0.9
93.06973	0.3
97.02867	0.3
102.05469	1.9
103.05418	0.5
105.06971	0.2
109.02837	0.3
109.10139	0.3
110.07092	0.2
110.09657	0.4
112.03931	4.6
116.98545	0.2
120.08066	1.2
127.12282	0.4
129.06520	0.3
130.04968	0.3
130.06552	0.3
132.08224	0.2
132.10176	2.3
133.97540	0.2
136.07524	0.7
151.07576	0.3
155.11775	0.9
170.05966	0.4
173.12866	0.5
177.09024	0.4
195.11171	0.3
197.12872	1.2
199.18034	0.3
218.84793	0.2
225.12328	6.3
225.14566	0.2
240.34753	0.2
243.13486	0.9
245.18535	4.0
356.21838	0.4
359.62369	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25801	0.7
56.96487	3.7
57.06997	3.9
59.23354	0.8
64.34486	0.9
67.05394	1.4
70.06506	4.0
81.06952	2.0
88.07556	8.0
92.78281	0.9
95.08498	1.6
102.09114	4.2
116.10152	0.9
117.90426	1.0
126.67841	0.9
134.97208	0.9
138.79947	1.1
146.67470	1.1
149.01228	1.5
167.02255	1.2
207.38959	0.9
312.32629	12.7
337.20218	2.1
374.30142	100.0
374.35995	20.2
375.30157	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	374.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12990	1.4
53.63147	1.6
55.05444	2.2
55.44598	1.5
56.04975	22.1
57.07009	13.3
57.15442	1.6
58.06523	10.1
60.04448	2.7
60.26816	1.6
71.08539	8.8
72.35643	1.7
74.05991	19.6
79.98849	2.0
83.08513	1.7
88.07551	87.3
93.06928	2.7
95.08525	2.2
97.16087	1.8
102.57143	1.8
103.17155	1.9
109.02840	2.5
114.24473	2.1
118.08614	10.7
118.99746	1.9
122.08121	3.8
139.53125	2.0
141.99049	2.0
274.58032	2.0
278.39694	2.2
326.34125	51.0
356.35159	2.7
374.36234	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07013	18.1
58.06524	3.8
68.04936	0.8
70.06507	37.6
71.08540	7.5
72.08079	0.8
74.26612	0.7
82.57684	0.7
85.10101	1.5
87.79530	0.7
88.07551	38.8
102.09111	25.5
132.10167	0.9
186.08731	0.8
221.39531	0.8
268.29965	1.4
295.27533	0.8
312.32535	66.8
313.32880	0.9
315.34253	0.7
356.35254	3.4
374.36206	100.0
375.36389	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84960	1.0
53.03865	2.4
54.47905	0.9
55.01818	10.1
55.05436	6.4
56.96494	1.8
57.03384	1.2
57.07006	2.4
65.03854	2.8
67.05416	7.8
69.03337	2.5
69.06981	23.9
70.06508	10.3
70.26821	1.0
71.26329	1.0
72.08035	1.6
79.05391	9.4
81.03328	20.6
81.06953	7.4
83.08508	2.0
84.04424	2.8
84.08050	6.8
85.02815	2.7
85.06454	1.7
86.09607	9.4
91.05400	74.1
93.06964	5.3
95.04878	8.8
95.08537	5.2
97.06452	4.4
97.10076	2.3
98.97512	1.3
103.05392	7.8
105.03333	14.6
105.06965	12.4
107.04890	9.3
107.08522	7.2
108.02030	1.8
108.05665	1.7
109.06461	18.0
109.10079	2.8
111.04381	5.1
111.08034	1.9
111.11633	4.5
117.06893	1.6
118.04102	5.3
119.04893	76.7
119.08529	1.6
120.08029	6.9
121.06461	5.1
121.10082	5.7
122.03596	1.3
123.04380	4.4
123.08009	6.9
124.05141	10.5
125.05962	2.4
128.06175	1.1
129.06961	4.4
129.10229	2.6
131.04880	5.3
133.02757	1.4
133.06435	10.8
133.10060	2.3
135.04370	7.8
135.11620	2.5
136.05151	1.4
137.05951	39.4
137.13225	1.3
139.11127	4.7
141.05437	5.5
146.03607	2.0
147.04398	15.1
149.05901	2.1
150.06688	2.2
151.03877	100.0
151.04974	6.9
151.07512	35.9
152.08151	1.3
153.05434	6.7
157.06461	5.1
160.05196	1.4
161.05910	7.1
161.09424	1.1
163.03867	1.8
165.05486	2.3
167.07007	7.7
171.04413	1.3
174.06592	1.6
175.07487	6.4
177.05435	4.8
177.09076	24.0
177.16356	1.8
178.06175	17.7
179.06970	12.1
180.07748	2.0
189.09032	1.6
193.08546	10.0
195.06517	1.9
195.17384	5.5
196.07246	2.4
203.07016	4.3
205.08426	4.5
213.18480	1.7
237.02843	1.7
273.38663	1.4
279.03781	1.2
319.45016	1.2
327.12091	1.8
339.12134	1.1
351.52765	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01784	0.3
55.05450	0.3
56.04952	0.4
56.96484	0.4
60.03350	0.3
60.04431	0.3
66.04632	0.3
67.05406	0.4
69.06950	0.4
70.06509	2.8
70.40965	0.3
72.08054	1.4
75.09971	0.3
75.76547	0.3
77.80046	0.3
79.05404	1.7
79.50695	0.3
81.06961	0.5
83.06013	0.5
84.04422	2.6
84.08051	2.4
85.02827	0.4
86.09625	5.7
86.50528	0.3
87.09980	0.5
91.05402	3.4
92.10240	0.6
93.06973	0.6
94.04115	3.6
95.04856	0.7
98.97517	1.8
102.05406	0.3
103.05404	4.0
104.05133	0.3
105.06953	1.3
107.04890	1.4
107.08472	0.3
107.11211	0.3
109.06445	1.2
110.07092	1.4
115.05373	2.9
116.98579	1.4
119.04904	0.6
120.08049	1.2
121.06460	1.3
122.03602	11.0
125.05960	0.5
129.10153	1.3
130.06477	0.4
131.04912	4.6
132.05687	0.4
133.02826	1.3
133.06451	0.6
135.04312	0.5
136.07501	0.4
137.05951	100.0
138.06299	1.4
143.04907	1.5
144.08063	0.4
145.06425	0.7
146.03613	0.5
147.04384	1.7
149.05983	1.6
151.03880	0.5
151.07529	0.7
159.04424	0.7
159.09131	0.6
159.87178	0.3
160.05115	1.2
161.01161	0.5
161.05936	5.8
163.07568	0.7
165.05626	0.3
165.06958	2.1
167.07004	1.3
174.06709	0.7
175.07570	3.4
176.04575	0.5
177.00691	0.3
177.06993	0.4
178.07751	1.3
179.08556	2.1
181.06514	0.5
182.07249	0.5
187.07428	0.3
188.04597	0.4
189.07092	0.5
191.06978	2.7
191.08522	0.4
193.06496	1.9
194.07227	0.5
195.08032	1.2
197.14699	0.4
198.56085	0.3
203.07048	2.1
205.06467	1.6
206.07274	0.6
207.08028	2.4
209.08076	0.3
210.06708	1.4
211.07539	0.6
215.13820	0.4
218.07161	0.4
219.08102	1.7
221.06021	2.7
221.07930	0.5
222.06772	1.2
223.07452	0.6
224.08376	0.5
225.09084	2.7
233.05971	0.5
234.06607	2.3
235.07466	1.6
237.09088	2.1
238.06265	1.4
239.06949	0.5
239.10632	0.4
247.07397	0.6
249.08932	2.3
250.06192	0.6
251.06989	1.4
252.07787	1.5
253.08502	3.0
255.06793	0.5
262.06256	0.6
263.06921	0.6
264.07703	0.4
265.08487	3.5
267.10123	2.5
269.08218	0.6
270.08963	0.4
277.08521	2.1
279.06476	0.6
279.09930	0.3
284.10199	0.5
285.11069	3.6
291.03735	0.4
294.08905	1.8
295.09601	1.2
297.11105	2.5
309.11188	2.7
327.12143	1.9
345.13208	2.5
375.19504	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06897	0.8
54.81906	0.8
55.05446	2.1
56.04965	3.7
56.07221	0.8
58.03401	0.8
60.04458	2.2
62.90484	0.7
67.05415	1.1
67.86539	1.0
69.03353	1.7
69.06975	3.9
70.06507	29.8
71.04912	1.2
72.08063	16.1
76.15623	0.8
81.03329	1.1
81.06982	1.5
82.06505	1.0
83.06005	1.8
84.04425	12.9
84.07597	1.7
84.08064	37.0
85.02817	2.0
85.08398	1.1
85.65137	0.7
86.09623	22.2
88.02119	1.2
88.03911	3.7
91.05373	4.6
92.10912	1.0
95.06111	1.0
97.02776	1.4
102.05496	1.9
103.05373	2.0
107.04872	2.0
110.07096	11.1
112.08717	2.2
115.08617	1.2
116.07024	2.2
119.04869	1.6
120.08070	10.5
121.06454	1.2
122.03610	1.5
127.08649	1.0
129.10196	16.6
131.04846	1.0
136.07559	6.4
137.05951	16.5
140.36963	0.9
159.09180	1.5
161.05943	4.6
176.88225	1.0
203.05234	4.7
211.11752	3.8
213.10944	4.3
313.16165	15.5
315.14264	1.6
332.80963	1.0
375.16156	100.0
376.16794	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63293	0.7
55.01799	1.4
55.05434	1.1
55.52478	0.7
56.04956	1.4
56.96489	0.9
57.03370	2.9
57.85416	0.7
60.04454	13.5
60.05561	3.2
61.02846	1.0
61.60370	0.8
69.03338	7.5
69.06987	5.7
70.02892	0.8
70.06505	22.1
71.04899	1.5
72.08072	9.4
73.02818	4.2
74.02341	1.9
83.04847	0.9
83.06023	3.0
84.04424	23.5
84.08064	88.1
85.02825	11.2
85.03960	0.9
86.09622	100.0
87.04391	1.1
87.05518	5.1
87.09969	0.9
88.03915	12.5
91.03889	1.1
95.05999	3.2
96.04358	1.1
96.08051	3.0
97.02811	4.3
98.02304	3.5
98.97519	1.4
99.23624	0.8
100.03899	4.4
101.07088	1.2
101.10717	3.0
102.05483	6.7
105.06583	1.0
110.05995	1.1
110.07098	3.6
111.04382	1.6
111.09143	1.0
112.08662	4.8
112.11313	0.8
112.25033	0.7
113.07090	1.3
115.03899	1.0
115.08647	3.5
116.03419	1.0
116.07021	4.9
116.98582	1.5
123.05531	1.0
127.03874	1.6
129.06538	4.6
129.10188	25.1
130.04964	3.5
130.06139	0.9
130.08606	31.8
132.10132	1.5
133.05084	1.2
133.06047	12.4
136.03914	1.6
137.05951	0.9
138.09102	5.3
141.10220	11.3
147.04323	0.8
147.07683	0.9
147.11247	24.7
147.55942	0.9
148.06006	1.4
155.11792	1.2
156.10110	8.4
158.09184	3.9
159.49927	0.9
161.01155	0.9
170.99542	1.1
175.11850	3.5
177.00658	1.0
183.11267	5.0
184.09505	1.0
191.02122	0.9
197.12816	4.1
201.12305	30.5
205.05420	1.2
214.05946	1.2
215.13870	7.0
221.05136	1.2
227.11369	1.9
228.13356	1.0
237.02773	1.9
245.12543	1.4
248.78026	0.8
260.19638	13.2
262.15033	12.3
346.17227	0.9
358.19714	0.9
375.22632	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01803	0.6
55.05452	9.8
55.70694	0.4
56.04977	2.7
56.96508	0.6
57.05735	0.5
60.04448	1.2
61.01076	0.5
61.02852	0.5
67.05416	0.8
69.03337	2.2
69.06985	7.5
70.06135	0.9
70.06506	17.5
72.08067	100.0
73.08409	1.0
73.76535	0.5
74.05990	0.8
75.02639	0.4
75.05515	10.7
81.03355	0.7
83.06025	0.9
84.04435	6.3
84.08071	14.0
85.02821	3.7
86.09624	63.1
87.05545	0.5
87.09933	0.6
88.03902	2.2
91.05405	2.3
92.53769	0.5
93.06955	0.6
97.02805	0.8
100.11205	0.7
101.07059	0.6
102.05503	0.9
103.05370	0.6
104.05340	0.6
106.04992	1.1
109.02836	0.6
110.07098	5.3
111.07425	0.5
112.08712	0.6
115.08666	0.5
116.07111	1.1
116.98588	0.7
117.03349	1.2
119.08519	0.6
120.08087	2.2
127.03856	0.9
129.10204	8.7
130.04977	0.8
130.08562	0.6
136.07567	4.7
137.05971	1.1
143.11775	37.5
145.02835	3.1
146.03146	1.2
149.05989	0.9
154.87863	0.5
163.03922	0.5
171.11241	11.5
177.05345	5.4
178.05803	5.5
178.20081	0.5
187.10736	0.9
195.06468	1.0
196.06830	2.2
205.11803	11.6
225.15988	2.1
229.75211	0.5
270.18005	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	375.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10163	0.3
52.14506	0.3
54.12010	0.3
54.81477	0.4
55.05445	6.8
56.04965	2.6
56.96511	0.7
57.05750	0.4
60.04451	23.8
67.08649	0.4
69.03348	0.8
69.06976	6.5
70.02877	0.9
70.06505	17.3
71.04919	0.5
71.06821	0.5
72.08064	100.0
74.02396	0.4
74.05962	1.0
83.06030	0.5
84.04416	6.1
84.08056	11.4
85.02821	2.2
86.05993	0.7
86.09620	96.3
87.05511	12.5
87.09960	1.0
88.03892	0.5
91.05395	0.4
93.06953	0.8
96.04407	0.5
97.02835	0.5
98.97497	0.8
102.05444	0.8
105.06564	2.9
110.07108	5.2
110.09625	0.9
112.08663	0.6
112.11191	0.5
116.07009	1.1
116.98546	2.4
119.04891	0.6
120.08060	3.7
122.03586	0.7
123.04337	0.5
128.10669	12.5
129.10182	4.9
130.10489	0.5
131.04776	0.5
133.06047	1.0
134.99553	0.9
136.07542	1.7
137.05968	6.0
139.03810	1.7
143.11740	6.6
144.08044	10.3
145.08438	0.5
159.11244	3.2
163.35805	0.5
170.05983	0.5
171.11212	2.2
173.12807	51.7
174.13068	0.8
175.10727	19.3
175.23853	0.5
189.12216	0.9
199.10793	0.6
201.12292	15.3
203.09984	0.5
205.11760	1.8
206.97482	0.4
214.10576	0.5
255.16914	0.8
258.71716	0.5
300.18893	3.4
375.10880	0.7
375.15921	1.4
375.20383	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81675	4.2
55.05440	25.0
56.96491	4.5
57.03357	9.1
63.46505	3.8
67.05423	21.6
69.03344	5.1
69.06986	40.5
71.04909	36.4
77.67596	4.0
79.05408	5.2
81.06969	60.1
83.08502	7.4
85.02821	52.6
86.09628	5.9
91.05412	9.2
92.73894	3.9
93.06961	19.7
95.08534	100.0
97.06443	4.6
98.97512	10.7
105.06959	20.6
106.51450	4.2
107.08539	19.1
109.10081	28.7
111.04363	6.1
116.98563	14.5
119.04801	4.2
119.08529	19.4
121.10085	5.0
131.04816	6.2
133.10072	20.8
137.05984	6.5
141.06966	4.5
141.80800	4.3
147.11665	5.6
148.41093	5.3
149.13142	6.9
151.14806	47.3
152.44719	4.1
161.02931	4.8
175.14732	38.8
193.15819	46.6
211.16838	6.3
265.30185	4.3
287.62790	4.4
329.30371	5.9
333.42505	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	376.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34923	0.9
56.96498	33.2
71.95181	1.3
84.95928	1.6
95.08485	1.1
128.98563	6.9
132.59003	1.1
133.98849	1.3
134.99658	1.7
146.99625	18.4
152.84811	1.2
161.01173	2.6
165.00700	8.8
169.05278	0.9
189.04309	1.5
192.24597	1.2
203.05789	1.7
237.12900	1.1
263.09540	2.7
277.10989	2.6
317.17691	18.4
317.21045	1.5
333.17209	3.9
335.18851	100.0
336.19360	1.8
353.19901	41.5
358.20398	5.6
376.21371	2.3
376.27875	1.2
380.78076	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00255	0.5
54.82001	0.5
57.07012	84.4
59.73440	0.5
61.78032	0.4
64.33755	0.6
66.02630	0.5
92.10274	0.6
96.10139	0.6
96.49592	0.6
97.92837	0.6
101.76270	0.5
108.04455	0.6
124.08656	0.6
125.07059	10.3
126.05470	7.7
191.11775	1.1
208.14436	3.7
209.12801	19.3
210.11246	0.7
218.12852	7.2
219.11247	5.7
260.15125	2.9
269.63797	0.6
274.18924	0.9
275.17453	13.5
292.20142	14.5
293.18466	12.8
302.18573	26.0
310.57086	0.6
358.24756	1.0
376.25864	100.0
377.26202	2.5
394.26913	6.4
397.39883	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06999	2.7
69.39046	1.2
69.62463	1.3
71.08540	1.6
88.07520	2.0
98.28024	1.5
313.32797	2.4
375.36609	2.5
376.31763	100.0
376.36603	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	376.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30741	1.4
51.06014	1.4
51.80720	1.7
55.05446	2.1
57.07019	2.1
62.41127	1.7
70.06498	8.2
71.03169	1.6
72.08068	2.6
72.87865	1.7
76.67842	1.8
76.98747	1.7
88.07568	2.6
102.09106	2.4
108.56485	1.8
239.17090	2.1
244.69240	2.1
313.32922	8.8
314.33292	2.4
375.36423	4.8
376.31857	100.0
376.36673	8.1
377.14322	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83359	0.8
54.81525	1.3
57.01765	1.2
76.14967	1.0
78.89657	1.0
92.10266	2.9
112.20815	1.1
123.50687	0.9
127.39069	1.2
149.57306	1.2
376.31760	100.0
377.32147	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	2.5
55.32166	0.2
57.03376	0.3
57.07010	0.5
67.05423	1.7
69.06989	11.7
70.06504	0.5
71.08548	5.1
78.66414	0.3
79.05399	1.1
81.06976	3.9
82.95366	0.3
84.08073	4.2
86.09629	100.0
87.09989	0.4
91.05405	0.5
92.10260	0.6
93.06988	2.4
95.04892	1.6
95.08541	3.0
97.06476	0.4
99.08026	1.9
100.49726	0.3
105.06973	0.6
107.08533	1.9
109.06464	1.6
109.10102	1.3
112.07553	10.4
112.08331	0.4
119.08556	1.2
121.10038	0.4
123.08021	0.4
133.10081	0.5
140.10680	0.6
149.13225	0.3
154.12239	1.2
165.12747	4.1
168.13748	1.0
169.03078	0.3
182.15385	0.6
208.16945	0.4
222.18460	0.4
278.24725	4.5
291.23111	1.9
300.98230	0.3
376.32019	30.7
377.32327	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07005	33.5
58.93373	5.5
60.11040	5.4
71.08529	14.3
75.37152	5.6
75.81468	5.8
79.72239	5.4
85.86741	6.0
89.05963	100.0
92.10890	7.4
101.85297	6.6
107.07004	10.9
111.13116	7.5
133.08562	25.2
143.18068	6.7
195.12303	46.9
202.14360	6.1
323.32382	7.2
377.26605	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14502	0.8
55.01790	2.0
55.05460	6.2
56.04972	54.9
56.36973	0.7
56.96491	5.0
57.03368	0.8
60.04439	5.2
61.00797	1.4
61.01078	24.1
67.05436	1.5
69.03340	4.6
69.06977	5.3
70.02869	1.4
70.06509	100.0
71.06846	1.4
72.08070	25.1
73.02824	1.3
74.05967	3.8
75.68474	0.8
79.05408	8.5
80.04928	1.4
81.03334	11.1
81.06957	3.9
82.06500	4.1
84.04424	15.0
84.08069	26.0
85.02810	4.5
85.08373	1.2
86.02307	0.9
86.09626	41.0
87.05511	1.1
88.03921	20.0
91.05401	24.0
91.14761	0.9
91.80582	0.8
93.06954	5.9
95.06002	0.9
95.08545	1.3
96.08037	1.8
97.02797	1.2
97.06438	1.5
98.02335	11.5
98.05989	0.9
99.04384	1.2
102.05458	5.1
102.27946	0.8
103.05387	5.4
104.05269	24.2
105.06991	7.8
107.04869	5.2
107.08537	29.7
107.09254	1.0
109.02806	5.7
109.06467	4.4
110.07100	9.6
111.05473	4.9
112.08652	1.8
115.05399	4.6
115.08656	1.9
116.07042	90.5
117.06933	9.8
119.04890	1.0
119.07285	1.7
120.08057	86.1
121.06409	0.9
121.08408	1.2
121.10081	1.8
123.08060	1.0
124.07477	1.0
126.05479	10.0
127.08633	2.0
129.06876	1.0
129.10214	16.3
130.06499	27.5
131.04868	1.5
131.06787	1.3
132.10185	3.9
133.06471	1.1
133.10085	1.2
134.99654	1.8
135.08015	80.7
136.07495	1.9
136.08501	0.9
137.05952	7.4
137.69904	0.8
141.10170	3.6
144.08081	9.5
146.05984	1.7
147.04337	1.3
153.06534	8.3
153.09061	1.2
154.05002	4.3
156.07617	1.1
157.07596	1.1
159.05803	5.7
159.09108	3.7
161.05966	1.8
163.07486	18.3
169.13307	1.0
170.11723	0.9
171.07622	38.2
172.07532	4.6
175.08604	13.5
176.92639	0.8
181.08568	24.3
181.12157	1.7
183.35760	0.8
186.12338	5.3
190.08563	7.3
201.12234	1.2
217.09885	2.8
218.08307	0.9
219.07985	27.8
224.06773	0.8
229.06471	0.9
231.05211	0.9
235.10698	22.1
245.98697	0.9
247.07465	9.3
263.10107	2.2
301.98486	0.9
307.11456	1.1
325.12595	2.1
343.13788	11.5
378.05688	1.2
379.09921	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	378.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83936	0.5
55.00238	0.6
55.05440	3.1
56.04973	10.8
56.77166	0.5
56.96489	1.2
60.04443	1.1
61.01083	4.2
64.18282	0.6
67.05412	1.0
69.03349	1.2
69.06984	17.7
70.02853	2.4
70.06506	31.5
71.04886	0.7
72.07703	0.9
72.08066	12.9
73.02773	0.7
74.05987	2.8
79.05402	0.6
84.04422	8.1
84.08063	15.3
85.02820	2.8
85.03944	2.9
86.09622	100.0
87.05526	0.8
87.09940	1.4
88.03909	25.1
91.05389	3.4
92.35331	0.6
93.06954	1.1
95.06015	0.6
96.08043	8.9
97.02807	1.1
98.02345	5.2
98.97521	1.2
102.05458	3.4
103.05413	1.4
104.05258	10.4
105.06991	0.8
107.04858	0.8
107.08548	0.7
110.07107	10.7
110.09619	3.5
111.41249	0.6
112.08609	0.8
113.10679	1.1
115.04984	0.9
116.00155	0.7
116.06981	0.6
117.06925	0.7
119.04881	1.0
120.08064	10.2
121.10076	1.0
124.07514	0.7
125.07085	1.0
129.10216	8.0
130.04936	0.9
130.06468	5.5
130.08609	0.7
131.04875	1.0
131.06897	0.7
131.08473	0.8
132.08066	1.2
133.03180	7.7
133.06049	2.6
134.99638	1.3
135.08018	1.2
136.07542	2.4
137.05943	3.7
138.06300	0.6
138.09093	3.6
139.03838	1.4
141.10184	13.9
142.08598	3.4
143.11789	0.7
146.05978	0.7
150.05792	10.8
155.11786	1.1
156.10167	24.7
157.07527	4.2
158.07985	1.2
163.07512	0.9
166.08606	1.0
175.07414	1.3
176.07774	0.7
181.08582	0.7
183.11281	3.7
184.09662	2.5
200.13879	0.9
201.12305	63.7
201.41937	0.7
202.12605	1.0
229.11797	9.0
379.09814	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	378.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81273	2.4
55.05453	2.7
56.96491	3.1
64.28035	2.1
67.05421	3.5
70.06503	4.2
74.57021	2.3
79.05370	2.6
81.06968	3.5
82.47879	2.2
84.08109	2.6
86.09617	4.2
91.05409	22.2
95.04892	5.5
95.08530	2.8
103.05391	3.8
105.06949	2.8
107.04916	4.7
109.06443	2.4
110.77727	2.2
117.06968	2.2
119.04887	20.9
120.08022	4.2
121.06451	5.1
122.03593	5.5
123.07990	3.1
129.06984	14.6
131.04872	3.8
135.08008	11.4
137.05959	100.0
143.04929	3.0
144.22662	2.3
149.05978	10.0
151.03947	2.5
151.06328	3.0
151.07530	77.4
157.06465	9.6
161.05960	13.0
161.09607	2.6
162.02788	2.5
163.07516	15.4
165.06975	3.7
165.09117	4.3
167.08516	13.0
174.06754	5.8
177.09070	2.8
186.73764	2.5
189.09050	24.7
193.06491	5.6
193.10123	5.3
195.08041	26.6
207.10208	2.7
209.09673	2.7
210.06738	5.0
211.07558	2.9
212.08401	3.9
221.05809	7.4
221.09583	13.6
223.07515	4.9
224.08405	3.3
225.09019	5.9
227.10637	26.1
237.09067	2.8
238.06232	3.2
249.09009	5.1
253.08528	16.1
253.12216	11.0
255.10172	25.7
267.10095	4.0
269.08109	3.4
270.08856	3.0
281.11746	4.2
285.11218	12.4
287.12689	33.6
313.14133	30.4
331.15350	52.4
378.27029	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01807	1.9
55.05465	2.0
56.96485	6.2
62.48019	0.9
69.03355	1.6
70.06497	2.2
72.08067	1.1
77.11833	1.1
79.05416	2.5
81.06953	1.8
86.09627	2.1
91.05398	28.3
92.10888	2.9
92.28845	1.1
94.04105	1.3
95.04894	8.6
97.02856	1.2
98.97479	1.6
102.05429	1.1
103.05399	5.8
105.06955	5.7
107.04916	8.1
109.06467	5.2
111.04413	1.3
115.05392	1.9
116.98592	2.2
117.06934	1.6
119.04893	22.0
120.08054	1.8
121.06451	5.9
122.03602	5.6
123.04452	1.8
128.06171	1.8
129.06967	16.0
131.04881	9.2
131.08472	1.7
133.06458	2.2
134.99629	1.5
135.08026	13.2
136.05191	2.2
137.05951	100.0
143.04852	1.4
143.08644	1.1
145.06490	1.8
147.04478	1.1
149.05943	14.6
151.03903	2.2
151.07510	87.8
152.07874	1.4
157.06464	14.3
161.05963	13.5
161.09546	2.7
162.06693	1.6
163.07492	21.5
164.48650	1.1
165.06967	9.7
165.09091	6.5
166.07726	1.4
167.08502	17.4
174.06715	7.4
175.07457	7.8
177.06880	1.2
177.09012	1.3
178.07713	5.0
179.08481	1.4
181.06377	1.7
181.10103	1.1
182.07274	1.3
189.09053	33.2
192.03670	1.3
193.06459	6.0
193.10063	9.8
194.07268	1.6
195.08017	32.5
196.08667	2.1
197.06001	4.0
197.09639	1.5
203.08510	1.4
207.10092	2.1
209.06096	1.6
209.09602	5.6
210.06686	5.7
211.07562	1.8
212.08307	6.2
221.05945	10.6
221.09532	12.9
223.07480	17.1
224.08231	5.6
225.05423	2.1
225.09105	14.2
227.07195	1.2
227.10609	41.5
231.09052	4.4
237.05269	1.4
238.06155	5.1
239.06906	1.6
239.10536	1.3
240.07846	2.1
249.09033	9.7
252.07674	2.3
253.08495	19.8
253.12160	18.5
254.09291	1.9
255.06421	1.5
255.07332	1.7
255.10097	30.8
257.06921	1.3
267.10071	10.0
269.07996	5.6
269.11722	1.6
270.08826	1.5
272.10382	4.3
275.07870	1.5
281.11661	6.6
284.10355	2.2
285.11099	20.3
286.11322	1.4
287.12695	48.6
313.14233	31.1
331.15320	53.3
373.04724	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	378.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61934	1.2
55.05451	10.8
56.91252	1.3
57.07018	1.6
67.05416	7.5
69.06986	7.0
71.08546	48.5
79.05404	8.9
81.06973	11.7
87.84592	1.3
88.11188	100.0
93.06968	7.7
95.04886	1.5
95.08548	11.4
97.06488	1.6
99.08027	6.5
105.06934	2.1
107.08544	3.5
109.06487	3.4
109.10146	1.6
119.08629	1.3
121.10088	1.7
133.10126	2.1
135.11667	1.8
165.12692	10.8
175.14746	1.8
280.26224	7.2
291.23145	8.0
378.33594	55.1
379.33810	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14996	0.2
54.03400	1.0
54.16169	0.3
55.01793	0.6
55.05428	0.7
56.04947	0.5
60.04414	0.3
61.02833	0.3
64.18119	0.2
69.03290	0.3
69.06954	0.3
70.06510	6.3
72.08077	2.5
72.08383	0.3
73.31792	0.3
75.79961	0.3
84.04395	1.8
84.08061	4.8
85.02821	0.5
86.09624	3.7
87.05513	0.3
91.05386	0.4
94.06484	0.6
95.04884	0.4
102.05486	0.3
110.07111	2.2
112.08601	0.4
112.49527	0.3
120.08023	1.3
123.04330	1.9
124.04974	1.4
129.10167	2.1
130.04927	0.5
136.07539	0.5
149.04547	2.5
165.07617	0.3
166.07231	1.6
177.01846	0.4
181.08528	0.8
189.06355	1.1
195.02951	0.3
199.09654	0.4
201.06372	1.9
202.07191	4.9
203.07996	4.3
204.08781	10.9
209.04465	0.3
215.07985	2.1
216.08759	100.0
217.09459	6.6
218.08319	0.6
218.10324	12.5
225.06357	6.0
226.07178	2.0
227.07962	1.9
228.08786	1.4
229.09583	1.5
230.06731	0.5
230.10306	13.0
232.08220	0.3
240.08734	28.2
241.09532	0.7
242.10294	5.8
244.08269	2.6
246.09798	14.6
255.09750	1.2
258.09827	6.6
268.08191	0.7
283.09320	1.6
285.10941	0.6
286.09259	24.6
315.12009	1.3
333.13031	1.6
347.10941	0.7
361.12521	2.1
379.13528	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	1.6
55.64301	0.9
56.04971	3.3
56.96491	2.5
57.03379	2.2
58.06532	5.5
59.04924	12.0
60.04449	2.2
61.02843	2.2
67.05437	1.1
69.03352	14.3
69.06979	7.1
70.06514	26.1
71.04876	1.2
72.08060	10.9
73.02827	2.8
73.06468	2.7
74.02361	5.5
81.03334	7.2
83.06021	1.6
84.04436	10.2
84.08059	17.1
84.86099	1.4
85.02831	22.4
86.05984	3.0
86.09628	69.4
86.43107	1.1
87.04407	5.4
88.03915	2.4
92.10340	1.9
97.02808	10.1
97.06453	1.5
98.83250	1.2
98.97512	6.5
101.82292	1.4
102.05502	2.6
104.62876	1.6
107.04913	1.5
109.02843	3.1
110.07104	9.7
112.08712	1.4
113.10722	2.7
114.05486	9.1
116.98582	7.1
119.01861	1.5
120.08092	6.3
124.30375	1.2
126.12720	1.4
127.03873	5.4
129.10210	9.1
132.10188	9.9
134.99571	2.5
135.07965	1.3
136.07567	4.8
137.05946	1.8
143.97380	1.3
146.99615	1.4
171.14906	8.6
172.13309	1.6
173.03018	1.5
177.00726	2.4
199.14449	2.1
202.64963	1.3
209.37534	1.3
217.15439	100.0
223.03867	2.1
224.18510	1.6
233.43985	1.5
341.52231	1.5
379.09991	7.5
379.20703	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03860	0.4
55.01812	0.8
55.05452	7.4
56.04954	3.3
56.96492	0.7
57.03375	1.0
57.07001	4.6
58.02895	3.8
60.04446	1.6
61.01073	0.5
61.02852	1.8
67.05420	0.8
69.03344	4.0
69.06992	2.7
70.02869	0.8
70.06504	22.0
71.04913	0.6
71.06820	1.7
71.07204	0.5
71.78883	0.4
72.04417	0.4
72.08065	64.0
73.02834	0.9
74.05988	0.5
74.09621	0.4
76.87051	0.3
79.05398	1.8
80.04893	0.5
81.03326	1.7
81.06967	1.0
82.06480	0.9
83.04897	1.6
83.37093	0.4
83.75008	0.4
84.04431	4.2
84.08065	17.3
85.02822	8.8
85.08412	0.4
85.23405	0.3
86.09624	41.4
87.05518	0.5
87.09958	3.0
88.03923	3.6
91.05398	3.2
92.05768	0.5
93.06975	1.5
94.06469	1.6
95.04891	0.4
95.08514	0.6
96.04420	0.8
96.08034	3.9
97.02811	2.7
97.06456	0.5
98.02346	0.4
98.97520	1.0
101.07114	0.6
102.05431	0.6
103.05333	1.3
104.05220	0.7
105.06986	1.7
107.04922	0.8
107.08533	0.7
108.08849	0.9
109.02814	0.6
109.10049	0.4
110.05964	0.4
110.07123	4.3
111.04396	0.5
112.03843	0.4
112.08710	0.6
114.09115	100.0
115.08706	0.5
115.09469	1.6
116.07022	7.8
116.98548	0.9
117.07367	2.5
118.08591	3.0
119.04838	0.7
120.08044	10.6
121.08431	3.2
123.08028	0.5
124.07555	0.5
127.03855	0.6
129.10196	4.0
130.05002	0.5
130.06487	1.6
131.04932	1.7
132.10133	0.5
133.02844	0.5
133.06499	0.5
134.99617	0.7
135.08040	2.3
136.07523	1.6
136.08415	1.4
137.05949	1.8
138.09151	0.7
141.10205	1.0
142.08685	0.6
150.09113	6.5
152.10733	0.5
156.06529	1.0
156.10176	0.5
160.09706	2.8
163.07539	0.7
165.60442	0.4
166.08488	0.5
175.08644	1.6
177.00716	0.5
180.10136	2.3
181.04881	2.0
181.08551	0.5
196.09708	0.8
198.11205	3.1
201.12263	3.1
202.12607	2.7
207.06462	0.8
213.15909	2.3
216.12263	6.0
217.15457	8.0
230.12027	1.4
235.10791	0.8
236.10876	1.2
241.15523	0.7
256.09882	0.4
257.10410	0.4
259.16455	37.0
260.16858	0.7
295.16464	6.6
308.31470	0.4
343.18475	1.7
361.19547	0.6
379.20599	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08138	4.2
51.98983	5.7
53.88270	5.2
55.01807	24.7
55.05454	30.4
63.74846	4.4
67.05431	32.3
69.06995	27.4
71.04906	45.6
72.76804	5.5
79.05420	14.5
80.05642	6.3
81.06982	74.7
82.89182	5.9
83.08534	9.0
84.14240	5.1
91.05422	8.9
93.06980	30.9
95.08544	47.6
97.06450	59.6
97.10110	6.7
104.43835	6.5
105.07034	7.2
107.08549	9.2
109.10133	10.4
121.10132	13.9
135.07944	5.5
135.11591	6.6
169.45952	6.5
169.47502	6.2
361.31091	14.5
379.31979	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76801	3.4
52.53443	3.0
53.72917	3.0
55.05457	30.1
64.72501	3.8
67.05421	83.6
69.06991	32.8
71.08529	4.5
75.17017	3.6
79.05408	66.5
81.06970	100.0
83.08536	9.2
89.05963	5.5
91.05394	27.6
93.06960	66.6
95.04890	5.4
95.08534	79.5
97.06404	12.5
97.10114	6.0
105.06970	8.4
107.08523	35.7
109.10075	30.7
111.30194	4.4
119.08520	4.0
121.10088	71.2
121.97448	4.3
123.11627	7.8
133.10117	6.2
135.11610	33.2
149.13251	4.7
159.19540	3.9
159.46468	4.5
343.29880	7.1
361.30896	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	380.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51724	0.4
53.03893	1.1
55.01820	0.6
55.05439	0.7
56.04962	0.5
57.00838	0.4
57.03362	4.3
58.06531	4.4
59.04930	3.8
60.04453	0.5
61.02847	3.0
67.79584	0.5
68.04943	0.6
69.03351	21.1
69.12141	0.4
70.06520	0.9
73.02821	1.3
74.05980	0.6
76.56065	0.5
81.03336	4.2
83.01286	0.6
84.04425	4.0
84.08048	0.6
85.02824	23.1
86.05988	14.6
86.09640	0.9
87.04392	6.0
96.04408	1.1
97.02818	48.3
99.04346	0.6
102.05458	2.1
104.07042	3.9
109.02879	1.8
110.05994	9.6
114.05471	4.7
115.03883	8.9
118.88992	0.6
127.03849	2.5
128.07059	1.1
132.06549	0.9
133.04948	6.5
145.04968	0.8
154.08650	0.7
160.06006	4.9
200.09122	4.5
218.10193	100.0
218.80298	0.5
219.10547	0.7
272.10275	0.5
379.14667	0.8
380.15387	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	380.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59977	0.5
53.03871	0.9
54.81979	0.7
55.01807	1.3
55.05454	12.0
55.20355	0.6
55.61547	0.5
56.04964	1.3
57.03368	1.5
59.04914	0.8
60.04446	1.1
64.33806	0.7
64.34731	0.6
67.05424	16.9
69.01247	0.6
69.03339	3.9
69.06981	1.7
70.06511	10.1
72.08067	100.0
73.08406	0.9
74.05991	3.1
76.56544	0.8
79.05406	1.5
81.03329	20.0
81.06964	11.0
82.06500	8.5
83.04881	0.9
84.04421	2.9
84.08052	8.1
84.95874	0.6
85.02834	1.3
85.03933	1.0
86.09626	14.2
87.09941	0.7
88.03901	16.1
89.56949	0.7
91.05386	1.6
93.06965	4.5
95.04901	3.0
95.08536	9.3
96.08057	6.7
97.02847	0.8
98.02364	6.5
98.97504	1.0
99.04393	2.7
99.09140	4.7
102.05417	0.8
103.05393	1.6
105.06982	0.8
107.04888	1.0
107.08527	4.2
109.02814	16.9
109.06476	3.0
109.10098	56.1
110.05975	0.6
110.07120	4.0
113.05962	0.7
119.08517	3.7
120.08048	56.7
121.08373	0.8
121.10133	1.2
124.07553	4.3
125.05944	3.9
127.08630	25.6
128.07050	5.0
129.10194	3.5
131.04893	1.3
134.39839	0.8
135.08034	1.6
137.09583	80.9
138.09920	1.3
141.10208	1.2
142.08609	47.2
149.05907	1.2
152.07051	1.6
155.10620	8.8
165.09068	28.1
166.08572	14.9
169.09691	8.2
170.08092	4.3
172.13315	2.7
183.10089	5.5
187.10735	74.7
188.11226	0.8
201.11127	9.6
212.89018	0.7
215.10228	15.7
218.13805	1.1
248.29636	0.7
291.94965	0.7
300.51620	0.7
309.13007	1.0
310.59641	0.7
327.14325	13.1
345.15265	10.0
350.01611	0.9
363.16492	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	1.4
55.01806	1.4
55.05456	2.4
57.03378	1.1
57.07831	0.2
59.04937	0.4
65.67403	0.2
67.05428	21.9
68.14909	0.2
69.03351	2.7
69.06985	1.1
70.06517	2.7
71.04903	1.8
72.08063	1.1
79.05399	1.7
81.03339	18.0
81.06504	0.5
81.06979	12.8
83.04906	0.4
84.04426	0.4
84.08062	2.0
85.02831	1.3
85.06460	0.5
86.09626	2.7
91.05396	1.4
92.10200	0.3
93.06963	4.0
95.04910	3.9
95.08535	9.2
97.06487	0.5
98.97464	0.3
99.04379	3.5
99.08028	1.0
103.05401	0.3
107.08543	2.4
109.02832	15.8
109.06446	2.3
109.10108	63.3
110.07108	0.5
110.10421	0.6
113.05959	0.4
116.98678	0.2
119.08544	3.8
120.08054	1.5
120.08823	0.2
121.08384	0.3
121.10116	1.2
123.11667	0.3
125.05965	4.9
127.03861	1.1
129.10213	0.4
131.04875	0.4
132.10208	0.3
135.08029	0.4
137.05975	1.6
137.09596	100.0
138.09940	1.4
145.04968	0.3
147.08041	0.5
147.39600	0.2
155.10649	11.2
163.07503	0.5
165.09081	32.8
166.09537	0.4
169.27945	0.3
180.81685	0.2
183.10132	5.7
187.10818	0.3
201.09340	0.5
201.11197	14.0
202.05991	1.8
202.11478	0.4
219.12215	0.4
291.12354	0.3
309.13327	1.3
327.14316	17.2
328.14578	0.4
345.15384	13.7
363.16476	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	1.8
53.98319	0.3
55.01806	0.8
55.05437	1.9
57.03358	0.8
59.30272	0.3
63.01476	0.4
67.05424	16.7
69.03349	4.7
69.06981	0.9
69.47633	0.4
70.06524	0.7
70.14934	0.4
71.04900	1.9
72.08044	0.5
74.06001	0.4
78.20046	0.5
79.05392	1.1
81.03331	14.0
81.06967	11.7
83.25983	0.4
85.02812	4.9
85.49413	0.4
86.09620	1.0
91.05392	0.9
93.06965	3.2
95.04874	3.6
95.08514	7.3
97.02824	4.3
99.04385	2.4
99.08040	0.7
102.43969	0.4
104.78939	0.4
105.06977	0.6
107.08526	3.6
109.02829	9.0
109.06423	2.0
109.10098	51.0
110.10457	0.5
119.08528	3.5
120.08096	0.5
121.10087	1.7
125.05943	2.8
127.03878	5.3
127.07496	0.4
132.96773	0.4
135.08026	1.8
137.09583	100.0
138.09904	1.8
147.07948	0.6
155.10637	8.6
165.09073	46.7
183.10121	6.4
201.11142	12.2
210.46916	0.5
291.12244	2.4
309.13257	18.4
327.14365	9.7
345.15216	2.4
388.92654	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0789
Annotation	Resorcinolnaphthalein
Peak:m/z	Relative Intensity
59.98997	0.5
66.73780	0.5
75.13388	0.6
77.02673	0.5
80.65116	0.5
94.92920	0.6
201.01616	0.9
219.02635	0.7
248.89650	0.8
258.21823	0.7
304.49326	0.8
381.07834	100.0
382.08154	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0788
Annotation	Resorcinolnaphthalein
Peak:m/z	Relative Intensity
75.98942	6.3
97.50086	5.9
99.90167	4.9
135.34587	5.4
185.24686	6.3
188.19070	5.9
246.40536	5.0
381.07892	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01883	1.8
53.03885	2.6
55.01803	15.8
55.05444	14.2
56.04961	3.6
57.03380	35.7
59.04927	3.6
60.04445	14.1
61.02853	20.2
67.05431	19.7
69.03352	98.1
69.06998	21.3
69.07440	2.1
70.06510	42.1
71.04888	3.0
72.08060	18.4
73.02815	9.4
74.05987	2.5
75.04388	5.7
76.07569	7.8
79.05409	30.3
81.03324	14.9
81.06506	4.3
81.06975	83.0
83.04905	10.3
83.06033	4.7
83.08540	4.7
84.04457	18.1
84.08067	21.9
85.02344	4.3
85.02832	100.0
85.06462	24.3
85.08349	2.5
86.09142	3.9
86.09630	71.9
86.59258	2.2
87.04391	46.4
87.05522	2.9
87.92997	2.4
88.03886	5.3
88.84673	2.0
91.03875	9.8
91.05410	40.7
91.18022	2.2
93.04504	2.4
93.06973	76.3
93.78461	2.3
95.04889	21.6
95.08550	19.3
97.02829	58.8
97.06465	29.1
99.08028	4.1
102.05460	2.7
103.03888	3.9
105.06973	31.1
107.04890	11.0
107.08545	28.5
109.06470	21.1
109.10095	4.5
110.07111	25.8
111.04375	3.1
111.08031	58.6
112.01846	2.7
115.03893	31.7
115.07510	3.5
117.06963	27.4
119.04893	4.0
119.08521	43.8
120.08056	9.7
121.06456	5.3
123.08032	17.1
125.09588	14.1
127.03861	12.1
127.07539	3.6
129.06958	11.2
129.09106	5.3
129.10170	12.6
131.08507	5.2
133.04924	42.1
133.06448	3.2
135.08022	37.7
136.07556	13.8
137.09579	14.3
139.07489	3.5
141.09116	20.3
145.04939	5.8
145.06496	2.5
147.08026	38.8
153.09119	35.8
165.05435	2.7
165.09087	47.3
171.10129	5.4
173.12782	22.1
183.10089	30.1
189.11189	20.2
200.16530	4.0
201.10992	28.8
214.40909	2.5
219.10332	4.3
219.12259	51.8
324.32211	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.297
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81978	2.2
70.09639	1.7
76.22144	1.8
80.87762	1.7
89.05931	2.5
92.10235	4.1
106.97655	1.8
111.05532	2.0
162.94452	1.7
189.69557	1.9
202.91249	2.1
226.47514	2.1
381.29636	100.0
382.30066	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	381.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05458	29.0
57.07011	14.1
60.97004	2.8
62.34408	3.6
62.77506	3.0
67.05434	70.4
69.07002	34.2
71.04903	3.4
79.05412	30.4
81.06982	100.0
83.08562	24.0
85.58158	2.8
89.05959	4.9
91.05424	25.8
92.10915	14.8
93.06974	46.2
95.08540	78.1
97.06474	5.2
97.10126	7.4
98.53815	3.2
105.06972	20.6
107.08532	33.3
109.10101	37.5
111.08038	4.6
111.11683	5.5
119.08574	12.4
121.10103	32.7
123.11622	5.3
131.08510	7.1
133.10106	12.3
135.11687	17.3
137.09450	3.3
145.10146	5.6
149.09587	4.0
149.13248	4.1
167.84021	3.4
173.13266	4.4
317.28293	5.6
335.29315	19.2
341.67963	3.7
345.27817	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38276	2.5
53.68178	2.1
55.05440	3.4
57.01492	2.5
67.05412	3.4
69.06972	5.5
71.08545	14.0
71.57138	2.4
72.04424	33.6
79.05409	3.1
81.06971	13.3
81.16184	2.4
83.08517	3.8
89.05975	2.7
93.06977	4.5
95.08541	6.2
107.08541	4.4
109.06413	4.7
109.10145	4.2
111.07994	3.2
114.09078	2.5
119.08525	2.6
130.69981	2.8
141.97624	2.6
165.12697	10.0
188.56705	3.5
195.12302	3.1
238.21593	14.2
267.61115	3.4
291.23077	10.5
336.28912	100.0
393.63809	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	382.1704
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
51.21838	0.6
55.01806	1.8
55.05445	0.7
57.03363	0.7
57.07011	6.0
59.04933	5.3
61.02834	0.8
67.05408	4.4
67.49110	0.7
69.03365	2.4
69.06970	4.2
70.02859	5.2
70.16821	0.7
71.04884	1.1
72.04421	16.5
73.02803	4.0
74.02311	1.0
81.03297	1.2
83.04882	1.5
84.04399	1.5
84.08047	1.0
85.02819	11.6
85.06459	10.7
86.09619	3.6
88.79117	0.6
90.05470	100.0
95.04893	7.1
96.08028	1.7
97.02808	3.0
98.02334	14.3
100.03896	1.5
103.07498	7.8
110.07095	0.7
113.05908	3.2
116.03394	13.2
120.08028	6.1
124.07538	19.4
136.07552	0.8
142.08607	8.2
146.03850	0.8
147.62686	0.8
156.10135	1.0
160.09596	1.2
166.08574	1.3
174.11180	2.8
184.09642	18.7
202.10687	26.4
207.11221	1.4
220.11742	86.2
221.12469	1.3
222.62431	0.8
257.56546	0.8
277.07779	0.8
287.04837	0.7
383.09277	1.5
389.12683	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1705
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
53.03881	0.7
54.81348	0.7
55.01814	1.1
57.03364	1.1
57.07005	6.2
59.04924	5.0
62.40664	0.7
67.05418	4.3
67.55385	0.9
67.96024	0.8
69.03333	5.0
69.06979	6.5
70.02861	3.6
70.06480	1.1
72.04427	17.2
73.02814	3.9
81.03284	1.2
83.04890	1.4
84.08051	0.9
85.02820	9.2
85.06466	9.0
85.85318	0.7
86.09621	2.0
87.08041	1.4
90.05476	100.0
92.10829	1.3
95.04877	6.1
95.58972	0.7
96.08044	1.7
97.02816	4.3
98.02342	15.7
100.03906	4.1
103.07511	5.9
109.02794	0.8
113.05937	3.7
116.03394	15.9
120.08033	3.4
124.07558	16.3
127.03876	0.9
131.07059	0.9
136.07440	1.0
142.08607	10.8
152.65652	1.0
156.10217	1.3
160.07103	0.8
160.09744	1.1
166.08693	1.0
174.11253	0.9
184.09656	18.2
202.10693	27.3
220.11755	87.1
221.11995	1.3
272.13138	0.9
276.07489	1.4
383.09009	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	0.2
55.05442	1.2
56.04980	1.8
56.05193	0.2
56.96475	0.2
57.03378	0.2
57.05742	0.4
58.06525	0.2
60.04467	1.7
61.01045	0.2
64.13178	0.2
67.05433	0.3
68.04936	0.2
69.03360	0.4
69.04466	0.2
69.06987	1.5
70.02868	0.2
70.06138	0.4
70.06510	9.0
71.04903	1.0
71.06834	0.3
72.08079	2.5
74.05964	0.4
76.79077	0.2
79.05402	0.9
81.03323	0.2
81.04474	1.2
81.06970	0.5
83.04916	0.4
83.06024	9.2
84.04433	3.1
84.08068	8.1
85.02840	1.9
85.08440	0.2
85.75452	0.2
86.09628	14.1
87.10014	0.2
88.03909	0.4
91.05420	0.5
93.04457	7.2
93.06969	0.6
95.04964	0.2
95.06020	7.8
96.08048	0.3
97.02790	0.3
101.85441	0.2
102.05495	0.6
103.05433	0.4
105.06981	0.3
107.08556	3.3
109.10178	0.3
110.07117	100.0
111.04367	0.3
111.05521	0.3
111.07445	0.5
112.08643	0.4
116.07063	0.3
120.08047	2.5
121.10094	1.6
122.07125	0.3
127.08604	0.2
129.10205	3.4
130.10620	0.3
136.07547	1.1
138.06586	3.8
139.11182	0.2
149.09604	1.4
153.09088	0.3
161.10812	0.2
166.06180	0.3
167.10609	2.3
171.10092	0.3
178.04927	0.3
178.13368	21.1
196.06042	0.3
200.01880	0.3
203.12682	0.3
206.12883	1.1
223.15501	16.3
234.12471	0.3
240.03119	0.3
240.13322	0.2
245.18547	1.2
251.12372	0.5
251.14983	12.2
251.17462	0.5
269.16153	0.5
346.22324	0.9
364.23322	1.0
382.19833	0.5
382.24408	8.3
401.56281	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0756
Annotation	12a-Hydroxypachyrrhizone
Peak:m/z	Relative Intensity
50.73444	0.8
55.10679	0.6
56.04955	3.3
61.01078	1.5
68.99705	1.5
70.06495	4.0
72.08067	1.2
74.05984	0.9
75.12074	0.9
78.11778	0.7
79.05417	0.8
84.08041	4.7
85.02808	1.1
86.09624	4.2
87.61043	0.7
91.05388	0.7
95.04875	0.9
104.05258	3.6
107.04941	1.1
110.07150	1.3
120.08065	4.4
129.10213	0.9
130.08609	0.9
135.04404	3.1
147.04449	1.8
149.02333	1.3
152.70215	0.8
163.03857	6.9
164.01044	1.4
164.04669	1.0
175.03853	7.5
176.08142	1.0
177.05432	1.2
178.02568	1.1
179.03401	8.5
179.04836	1.6
191.03381	10.7
192.04097	1.5
193.04927	1.9
196.05193	1.5
205.04890	1.0
207.04366	1.2
211.07430	1.8
224.04689	3.9
231.44992	0.9
235.03870	9.7
236.04671	3.4
239.03412	1.2
239.06992	6.8
252.04173	8.9
253.04921	1.5
256.07224	6.7
263.03308	13.2
264.04010	1.6
266.05884	1.3
267.06418	11.9
268.07043	1.2
269.04333	6.3
280.03635	11.9
281.04401	4.9
284.06714	13.7
291.02789	11.7
292.03601	1.0
294.05029	1.7
295.05948	17.9
299.09048	8.8
308.03064	9.7
311.05557	1.2
312.06180	6.2
319.02304	5.6
322.04706	1.8
323.05414	26.7
324.06348	3.5
325.03351	1.5
327.08536	33.8
328.09116	1.0
340.05740	3.9
350.04202	1.7
351.05008	5.8
355.08017	4.7
368.05295	7.6
383.07532	100.0
384.07962	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19046	0.6
54.81895	0.7
55.05453	6.0
56.96494	1.0
63.34156	0.7
70.06514	1.4
78.51228	0.7
79.05389	0.9
81.06963	1.0
83.08530	1.4
86.06002	0.9
95.08499	1.2
96.86481	0.9
100.11179	6.9
101.11429	0.9
107.08514	1.2
116.98571	1.6
131.00238	1.0
131.08614	1.0
134.99620	1.8
156.13817	1.9
173.32448	0.7
179.03380	1.3
182.15385	5.3
183.15813	1.0
208.05153	0.9
210.14862	1.9
224.04590	3.5
227.06857	1.0
231.07968	0.9
235.03972	1.1
236.04678	1.3
239.07005	5.6
241.04982	4.5
247.38635	0.8
251.07097	1.0
252.04108	9.4
253.04758	0.9
256.07294	12.2
266.05618	1.4
267.06491	15.2
269.04401	8.0
280.03616	18.1
281.04294	1.9
283.05930	0.9
284.06729	33.6
294.05350	1.0
295.05939	14.8
296.06659	1.2
299.09091	19.3
308.03113	13.2
309.03653	1.2
312.06250	10.4
315.19437	1.0
323.05417	45.2
323.09262	1.5
323.12650	1.7
324.06021	3.0
327.08572	59.9
328.08859	1.5
340.05716	3.9
351.04916	1.3
355.08167	7.0
368.04980	1.7
378.10867	1.0
382.30353	3.9
383.07535	100.0
383.27380	1.7
384.07907	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0757
Annotation	12a-Hydroxypachyrrhizone
Peak:m/z	Relative Intensity
54.81828	0.8
55.05436	0.7
56.96498	0.9
65.03857	1.0
67.05435	0.8
68.99706	13.5
72.68726	0.8
73.45399	0.7
79.05396	4.9
81.06989	1.1
89.03844	2.8
91.05394	5.2
93.06956	1.4
95.04890	4.8
98.97514	1.3
103.05399	8.6
107.04893	9.9
116.98534	1.3
117.03320	1.4
118.04056	1.2
119.04881	3.1
119.08531	1.2
121.02814	4.8
121.06421	1.3
128.98441	0.7
131.04892	0.7
131.08485	0.8
133.02838	1.3
134.99641	3.1
135.04381	14.3
136.01532	4.2
137.02254	0.7
145.02802	1.8
146.03624	4.6
147.04387	11.9
148.01517	0.8
148.05165	4.7
149.02260	8.6
150.03021	5.0
151.03873	12.8
152.04630	0.9
162.03101	1.0
163.03857	37.1
164.01001	11.8
164.04659	10.3
165.01834	1.1
175.03868	47.6
176.04425	1.0
177.01849	5.6
177.05374	7.1
178.02565	13.7
179.03346	59.4
191.03348	72.1
192.04114	11.7
193.01341	3.2
208.03642	1.6
237.02908	0.9
281.04449	1.4
297.03882	1.6
321.03961	4.6
322.04672	1.3
325.03400	3.0
337.03275	8.0
368.05203	6.5
383.07510	100.0
384.07919	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0758
Annotation	Bikaverin
Peak:m/z	Relative Intensity
55.05444	34.1
56.96495	2.9
57.06991	2.7
58.22338	2.1
69.03342	5.2
69.06982	3.4
70.06492	13.5
81.06934	10.3
82.06503	4.7
83.04888	9.9
83.08546	25.8
84.08057	10.0
85.02813	9.8
86.09611	4.9
91.05370	5.2
93.06937	3.6
95.04887	3.3
97.06457	2.6
98.09602	2.9
98.97495	3.6
100.07534	8.3
100.11189	81.8
103.05396	4.0
105.06980	9.7
107.08533	2.9
110.05952	3.9
111.04381	10.7
112.07426	2.4
116.98535	4.6
119.08541	10.7
120.08019	4.4
121.10026	2.6
128.06992	4.7
129.10185	3.9
133.10081	9.1
134.34067	2.2
141.11380	3.6
161.13223	3.7
168.17406	4.3
182.15419	28.6
199.17967	4.1
209.16437	11.7
210.14787	17.6
211.07431	2.8
213.17720	3.4
221.15274	2.6
224.04553	2.7
227.17609	3.1
235.03801	16.4
239.07120	3.2
250.37256	2.3
252.04166	4.0
253.04829	3.1
263.03293	24.0
267.06464	11.4
280.03656	5.0
291.02777	30.6
295.06021	25.3
309.03864	2.7
310.75894	3.9
319.02164	17.3
323.05255	4.2
326.27921	2.7
343.30307	5.1
350.04041	5.5
351.04715	8.8
368.05133	9.2
383.07474	100.0
383.30038	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53106	2.2
55.01799	2.1
57.03358	11.6
61.02841	13.9
67.66763	2.1
69.03338	26.3
70.02840	2.6
73.02837	4.2
74.02367	4.5
76.07196	1.8
76.70458	1.9
81.03344	23.1
85.02821	54.0
86.09606	9.6
87.04385	12.4
87.65248	2.1
97.02830	27.3
99.04385	4.2
109.02840	3.3
110.07109	9.9
111.76378	2.7
111.88894	2.0
115.03894	5.1
117.05728	3.1
118.06493	11.4
120.04376	2.8
127.03811	2.9
129.07025	2.6
130.06496	100.0
132.04408	27.0
132.08017	18.3
142.06517	9.1
143.07275	8.9
144.04416	4.6
144.06822	11.7
144.08057	43.0
145.07581	38.5
146.05957	34.8
148.07556	11.6
154.06390	15.9
156.08047	12.7
157.07581	68.9
158.05981	70.4
159.09134	28.5
160.07529	10.3
167.07271	3.7
169.07582	43.5
170.06026	5.4
170.08327	16.5
171.09131	25.1
172.07544	17.3
174.05435	4.5
175.08635	52.8
180.08073	5.2
181.07579	5.7
182.08354	9.4
183.09148	35.9
184.07565	2.6
185.07057	38.6
186.05383	3.5
187.08650	10.5
188.06989	5.6
195.09229	3.4
196.07626	4.2
197.07072	4.7
198.05563	4.5
199.08611	13.9
200.07025	23.1
203.05273	5.1
203.06183	3.3
203.08107	75.3
204.06667	3.2
204.08545	5.1
206.08430	5.0
207.09167	24.3
208.07492	3.7
208.09914	4.4
209.07053	9.1
210.09145	5.4
211.08578	5.5
213.06577	5.3
214.08617	3.3
215.08061	16.7
216.08932	12.4
217.09686	14.1
219.09143	4.0
221.09097	27.0
221.10910	2.9
223.08681	3.7
225.10222	2.8
227.07982	5.3
228.06689	2.9
231.07581	14.4
235.08626	4.1
237.10239	4.0
238.08461	3.7
245.09152	14.8
256.09616	3.2
257.09152	11.4
263.10303	11.0
267.11209	3.3
269.09143	10.2
275.10297	4.9
282.46924	2.6
283.10684	5.4
287.10147	3.2
293.09036	4.1
299.10178	12.4
301.11896	2.9
311.09921	3.0
328.92587	2.5
329.11172	11.5
347.12378	48.4
365.13416	56.3
383.07971	3.3
383.14371	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	383.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05440	17.7
56.96492	5.9
63.68297	3.2
67.05426	3.5
69.06976	19.9
70.06494	14.3
71.04538	3.0
81.06963	13.8
83.08527	23.6
84.08057	6.4
85.02824	9.1
86.09624	14.1
93.06998	5.1
95.08529	4.1
97.02830	5.1
100.11269	3.7
107.08519	6.4
111.08050	5.1
120.08049	4.2
120.59665	3.7
121.10082	4.0
144.75073	3.9
149.13223	15.9
167.14259	21.4
182.15343	4.4
185.15349	19.2
247.42017	3.5
293.28882	3.7
339.92801	4.3
383.14578	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68684	0.5
54.20477	0.5
56.51526	0.7
77.01022	0.6
79.05415	5.0
81.06976	3.0
90.26067	0.6
91.05402	4.1
94.04110	7.2
95.04890	1.3
102.62778	0.6
103.05419	4.0
104.53269	0.7
105.06973	13.7
107.04904	1.2
109.06460	2.9
110.66013	0.6
111.04346	0.9
113.20393	0.6
115.05431	5.6
119.08564	1.2
121.09959	0.6
122.03609	12.9
123.08025	0.9
123.47803	0.6
128.06181	4.6
129.06949	0.7
132.05679	0.7
133.06458	9.4
137.05946	100.0
138.06302	0.8
141.07027	1.2
143.05988	0.9
146.03627	6.4
147.04404	1.1
156.05667	2.8
159.08093	0.7
161.05936	33.8
171.08057	1.5
175.64255	0.8
184.05202	5.7
190.07677	0.9
191.08456	5.6
192.09315	4.1
196.55595	0.8
198.75987	0.7
199.07507	17.5
202.07751	24.2
203.08508	34.4
204.09236	0.9
205.06467	4.3
215.08411	0.7
219.07988	15.0
220.08795	10.6
221.09525	0.7
222.06702	0.9
230.07259	5.0
231.07988	42.8
231.10262	1.5
232.08751	10.4
233.05920	1.3
233.09508	1.1
235.11211	1.6
237.09041	1.2
242.07349	0.8
243.08118	0.7
245.09528	1.3
247.07498	8.5
248.08260	22.3
249.08897	2.7
252.92549	0.7
258.06696	4.0
259.07477	30.9
260.08237	19.7
261.09027	3.9
263.10565	13.7
265.08536	2.7
275.07010	3.4
276.07709	15.3
277.08453	5.7
278.77325	0.8
291.10083	55.2
292.10815	6.3
293.07996	3.0
295.13303	0.8
299.06134	2.7
308.10297	2.6
323.12711	17.1
349.08658	0.7
350.10785	0.7
351.12344	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01801	6.4
56.96497	9.4
57.08560	2.8
67.05405	4.6
69.06989	4.1
79.05396	5.4
81.06959	15.3
84.04429	3.9
91.05392	9.1
94.04121	5.1
95.08488	5.9
98.97562	5.8
102.12779	3.8
105.06955	8.1
109.06470	5.4
115.05428	5.6
116.98579	4.2
121.10027	4.9
122.03633	13.9
128.06146	5.0
133.06441	6.2
134.99635	4.2
137.05949	100.0
146.03551	3.5
161.05884	28.2
184.05078	6.9
184.16881	5.0
193.44066	3.7
199.07487	32.6
202.07724	30.3
203.08543	30.8
219.07944	16.9
220.08720	5.3
231.08058	45.1
232.08742	7.7
247.07437	6.4
248.08046	31.0
249.40733	4.4
259.07489	31.8
260.08197	20.1
263.10455	9.1
276.07724	7.8
277.08423	6.3
282.13568	15.2
291.10107	68.2
292.10843	6.7
300.14832	30.0
318.15686	27.4
323.12680	20.9
336.13272	4.0
349.77713	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	383.279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93490	0.6
53.03883	1.0
55.01802	3.5
55.05449	14.0
57.03372	6.4
57.07001	4.1
67.05428	21.5
69.06660	0.8
69.06991	16.8
71.04904	3.4
71.08555	13.0
75.04399	3.2
79.05407	11.6
81.06972	31.6
83.04890	2.5
83.08535	2.7
85.06466	3.2
91.05409	7.3
93.06976	19.1
95.04894	11.2
95.08530	20.0
97.06461	6.8
97.10148	0.9
99.07999	5.0
105.06973	8.3
107.08543	13.3
109.06469	56.1
109.10088	7.0
111.08026	1.3
114.37994	0.7
117.06882	0.7
119.08543	6.8
121.06507	0.8
121.10122	5.8
123.08009	6.0
123.11646	3.9
131.08519	3.3
133.10081	5.3
135.11630	1.1
137.09608	1.4
137.13234	0.8
140.36655	0.6
145.10149	1.0
147.11624	2.8
149.13210	2.4
151.11197	2.5
153.12680	1.3
157.10036	0.9
159.11659	0.8
161.13211	1.2
165.12714	66.2
166.13060	1.1
173.13242	1.0
175.14833	2.5
179.14296	1.6
180.41035	0.7
191.14322	0.7
193.15909	1.0
194.23338	0.6
199.14870	1.0
235.16835	12.2
273.21890	1.3
291.23123	100.0
292.23502	2.9
309.24130	2.8
365.26755	1.2
368.82147	0.8
383.22897	1.3
383.27805	37.2
384.28177	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92791	0.7
55.05451	11.1
57.05762	1.0
57.07006	1.5
59.53589	0.8
69.04467	1.0
69.06981	1.3
71.08544	1.1
72.08067	100.0
74.09647	1.1
77.39025	0.9
79.05426	0.8
81.06968	0.8
84.03851	0.7
90.92653	0.9
92.10970	1.9
94.13020	0.8
95.08562	1.9
105.06966	1.6
119.76713	0.9
143.28462	0.9
159.62871	0.8
202.31743	0.9
231.68123	0.9
310.30933	3.5
338.30353	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	383.363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38493	0.8
53.00296	0.8
55.05444	5.1
57.06997	4.3
67.05417	1.5
69.06979	6.7
72.08074	21.7
74.45295	1.4
86.09633	100.0
89.79219	1.1
91.92036	1.0
95.43640	1.1
104.16651	1.0
109.26046	1.0
114.74828	1.2
140.62376	1.0
211.29399	1.2
237.60808	1.1
278.25882	1.2
324.32584	5.6
338.30447	1.6
352.32031	4.9
383.31339	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38187	0.3
55.30120	0.3
62.20846	0.3
62.33854	0.3
69.03369	0.4
74.02339	1.7
76.16157	0.3
76.87920	0.3
84.93819	0.4
91.05396	1.6
97.02808	0.5
98.05938	0.5
115.03860	0.6
115.05392	2.0
117.05704	1.4
117.06963	1.8
118.06480	29.6
121.48068	0.3
130.06488	2.5
132.07100	0.6
132.08047	8.3
142.06531	2.7
143.07263	3.8
144.06516	1.4
144.08054	18.6
146.05977	94.0
147.06310	0.8
159.09123	8.7
160.07510	1.5
162.07552	6.6
170.05962	7.4
175.83125	0.4
180.08633	0.8
188.07014	100.0
189.07370	1.4
205.09676	21.2
246.83672	0.3
310.68652	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81324	0.5
55.05439	1.2
57.06735	0.8
57.07008	17.7
69.06992	1.0
78.10213	0.5
79.05376	0.6
81.07005	0.7
91.05424	3.9
93.06947	1.2
105.06971	14.4
107.04873	1.1
107.08528	3.5
119.08528	21.3
120.16178	0.5
121.06460	4.6
121.10091	40.2
122.10525	0.6
133.06500	1.1
133.10081	20.5
134.99580	0.6
142.07787	1.3
145.10083	1.1
147.08078	1.0
147.11658	30.1
151.11212	0.8
157.10118	2.3
160.08780	1.2
163.11154	2.5
175.11128	18.4
177.12732	0.9
187.12503	0.6
211.81288	0.5
283.16855	100.0
284.17258	5.2
293.21036	0.7
339.23105	46.5
340.23492	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	384.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02078	0.4
50.91890	0.4
55.05450	6.8
55.18719	0.3
57.07000	1.8
59.04413	0.4
60.48138	0.4
67.05425	7.3
69.06982	5.1
70.41030	0.4
71.08549	0.5
79.05400	5.9
81.06980	7.0
83.08519	3.2
84.18085	0.4
85.54193	0.3
86.05956	0.4
91.05420	1.6
93.06966	1.8
95.04893	1.8
95.08520	6.3
95.87920	0.4
97.06490	0.5
97.10104	0.5
103.05380	3.0
105.06972	100.0
106.07289	1.0
107.08533	0.7
109.10097	1.9
112.67941	0.4
114.78770	0.4
120.08048	0.9
121.10094	0.5
122.09618	15.4
148.07541	1.9
152.17221	0.4
160.68939	0.4
163.15004	0.4
190.12254	0.7
204.13788	0.5
305.61597	0.5
384.32581	11.5
384.37643	0.7
386.30933	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84012	1.1
54.81562	1.5
56.96476	2.7
58.88486	1.4
59.06692	1.2
75.02980	1.5
79.00000	1.3
79.05363	1.7
81.06953	5.7
86.44234	1.5
91.05393	1.6
93.06966	2.0
97.06506	1.6
100.31422	1.5
116.98539	2.1
121.29893	1.6
134.99554	1.6
146.03593	30.6
163.03871	10.3
174.03056	6.3
192.04080	8.7
194.55853	1.7
207.06454	53.7
235.05945	100.0
236.06293	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1464
Annotation	Asp Asn His
Peak:m/z	Relative Intensity
50.54121	0.5
53.76717	0.5
53.88026	0.4
57.76076	0.5
69.06971	0.7
70.06508	4.9
72.08046	0.7
73.02185	0.5
84.04415	2.2
84.08065	2.4
85.02811	0.7
86.09620	2.4
86.75733	0.6
92.10860	0.7
110.07139	0.9
120.08094	0.5
129.10202	0.8
144.88618	0.5
176.04977	0.7
223.09389	12.5
241.09155	3.4
250.04570	0.6
283.10272	1.1
319.44073	0.6
325.12448	4.6
352.03616	0.6
385.14569	100.0
386.14926	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	385.1468
Annotation	Asp Asn His
Peak:m/z	Relative Intensity
54.81918	0.6
55.05446	1.2
56.04966	1.0
56.96524	0.7
60.04456	1.3
61.02837	1.0
69.03345	2.3
69.06981	0.8
70.06515	18.0
71.06827	0.7
72.08069	10.7
74.05998	0.5
79.05359	0.8
81.03323	1.0
83.04851	0.5
83.06048	0.7
84.04421	3.3
84.08064	8.6
85.02831	7.6
86.09629	17.1
87.04417	0.7
88.03900	0.7
91.05410	1.1
93.06960	1.3
97.02818	1.3
98.97490	0.9
103.05386	0.6
105.06971	1.3
105.44456	0.6
107.08573	2.0
109.10077	0.9
110.07107	4.7
112.08672	0.7
116.07054	5.0
116.98556	1.1
119.08571	0.9
120.08057	3.0
121.06503	0.7
121.10086	2.5
127.03900	0.7
129.10199	6.8
137.05951	1.4
137.09569	1.3
139.07515	0.8
143.11787	1.4
161.05937	0.6
163.11075	0.6
170.05917	0.7
171.19215	0.6
177.00719	0.6
204.49214	0.7
205.12195	2.6
223.09618	0.9
223.13248	11.5
223.15260	0.8
270.18015	0.8
378.76785	0.7
385.14609	100.0
386.14737	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	385.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22962	0.3
54.81515	0.4
69.03348	0.3
70.06501	0.7
74.02356	1.5
80.53726	0.3
86.87641	0.3
91.05396	1.8
99.10181	0.3
115.05394	3.1
117.05693	0.7
117.06931	2.2
118.06487	34.6
130.06488	3.3
132.08046	11.5
142.06493	3.6
143.07278	5.3
144.08058	20.9
145.06474	0.3
145.08255	0.3
146.05984	100.0
147.06294	1.2
159.09137	9.0
160.07539	1.5
160.11180	1.1
162.07581	1.4
163.07932	0.3
170.05971	7.1
178.12277	0.5
188.07027	97.2
189.07312	1.4
193.59975	0.3
205.09688	20.6
206.10114	0.3
224.12769	0.6
286.21530	0.3
329.77725	0.3
366.40756	0.4
367.45822	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	1.8
55.01802	1.8
55.05437	4.5
57.03376	15.5
59.04923	4.0
61.02856	7.8
63.07735	0.6
69.03349	51.6
69.06957	0.7
70.06509	9.5
71.04893	3.1
73.02806	3.0
73.06467	21.1
75.04365	1.5
76.56223	0.8
77.65623	0.8
81.03336	6.0
83.04910	1.0
84.08057	1.5
85.02827	100.0
86.09604	1.8
87.04392	23.4
91.03855	4.4
92.10850	0.9
97.02820	38.8
99.04364	4.5
109.02853	7.3
110.07106	1.7
115.03881	22.7
116.07030	3.2
122.02667	1.0
123.56452	0.8
127.03864	16.0
133.04936	19.3
145.04932	21.3
163.05969	7.5
175.11861	1.0
187.13098	0.7
218.24120	0.7
253.12718	3.5
380.75424	0.9
385.25397	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40229	0.4
60.05577	7.8
60.29465	0.4
61.78337	0.4
67.69397	0.4
69.06984	0.9
70.06505	100.0
71.04877	0.4
71.06805	0.4
72.08068	2.0
79.04355	0.3
85.02815	0.5
86.09621	20.9
87.09940	0.7
88.02138	1.0
108.56806	0.4
110.07109	0.5
112.08670	2.6
114.09070	0.5
114.10268	0.9
115.08638	2.3
116.07034	7.8
130.09737	3.7
132.10173	0.5
136.06148	2.4
156.11302	3.0
158.09190	5.3
168.86948	0.4
175.11856	19.9
183.14882	11.3
211.14334	0.9
213.85396	0.4
227.25276	0.5
228.17207	0.5
263.79581	0.5
271.17603	1.9
279.07800	0.5
288.20319	0.8
336.86978	0.4
367.24225	1.7
368.22815	1.8
385.25458	36.2
386.25681	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	3.4
55.01815	4.1
55.05439	20.5
57.03369	11.2
60.23298	2.1
67.05419	37.2
69.03323	2.8
69.06977	21.4
73.44387	2.7
75.70854	2.3
79.05401	41.2
81.06965	100.0
83.04882	4.8
83.08527	12.4
91.05409	31.9
92.10894	4.5
93.06963	22.9
95.04894	10.4
95.08539	25.4
97.06448	10.3
105.06952	30.6
107.04919	11.8
107.08538	14.4
109.06458	21.2
109.10120	4.5
117.06967	11.0
119.08549	21.6
121.06501	5.1
121.10088	10.4
123.07987	13.1
123.11628	4.3
131.08501	6.2
133.10086	10.4
135.07968	4.3
135.11638	4.2
145.10068	5.7
147.08031	5.0
147.11633	9.2
149.09637	5.7
149.13214	4.9
151.07475	2.8
151.11174	2.6
157.10144	2.8
158.36485	2.6
159.11726	3.8
165.12752	3.4
275.20117	21.3
349.23605	13.4
367.24728	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	385.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	3.4
55.01815	4.1
55.05439	20.5
57.03369	11.2
60.23298	2.1
67.05419	37.2
69.03323	2.8
69.06977	21.4
73.44387	2.7
75.70854	2.3
79.05401	41.2
81.06965	100.0
83.04882	4.8
83.08527	12.4
91.05409	31.9
92.10894	4.5
93.06963	22.9
95.04894	10.4
95.08539	25.4
97.06448	10.3
105.06952	30.6
107.04919	11.8
107.08538	14.4
109.06458	21.2
109.10120	4.5
117.06967	11.0
119.08549	21.6
121.06501	5.1
121.10088	10.4
123.07987	13.1
123.11628	4.3
131.08501	6.2
133.10086	10.4
135.07968	4.3
135.11638	4.2
145.10068	5.7
147.08031	5.0
147.11633	9.2
149.09637	5.7
149.13214	4.9
151.07475	2.8
151.11174	2.6
157.10144	2.8
158.36485	2.6
159.11726	3.8
165.12752	3.4
275.20117	21.3
349.23605	13.4
367.24728	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	386.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03865	1.1
55.01792	1.4
55.05455	1.0
56.04969	1.2
57.03371	28.9
59.04924	6.0
60.04435	2.1
61.02848	4.1
66.26512	0.7
69.03345	80.8
69.48109	0.8
70.06514	8.8
71.01270	1.4
71.04906	1.4
71.06876	0.7
72.08072	1.9
72.21175	0.9
73.02822	4.5
74.95633	0.8
75.04380	5.1
81.03326	5.2
84.04434	1.4
84.08058	5.9
84.08484	0.8
85.02825	100.0
86.09612	4.8
87.04391	54.4
91.03870	3.3
92.10284	1.1
97.02822	57.0
99.04360	2.1
101.69250	0.8
103.03866	1.0
109.02819	5.6
110.07111	4.5
115.03879	50.8
123.04394	1.8
127.03864	11.8
129.10184	1.2
133.04933	51.3
136.61821	0.9
139.03886	3.3
145.04922	21.3
150.07567	4.1
163.05942	7.2
163.97879	0.9
232.50278	0.8
237.13124	1.6
241.06775	1.0
259.08185	3.5
295.10242	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	386.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	0.6
54.81606	0.5
55.01811	0.7
55.05453	2.4
57.03370	9.6
59.04913	0.9
61.02848	1.1
69.03343	3.1
70.06505	0.8
71.01283	0.7
71.04906	77.0
73.02818	2.6
75.04404	4.9
81.03326	0.8
83.04898	8.8
85.02824	100.0
86.05954	0.5
87.04401	1.3
97.02831	4.6
99.04374	0.9
109.02818	1.2
110.07129	1.2
111.04390	4.0
127.03896	4.0
129.05429	24.7
145.04953	5.0
147.06499	10.9
163.05962	0.9
164.09154	2.6
251.54597	0.5
255.08392	0.9
264.44852	0.5
273.09613	1.0
309.11826	1.2
322.19141	0.5
344.17563	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99847	0.7
53.03890	1.2
55.01802	1.3
55.05191	1.0
55.05448	26.2
57.03366	1.9
57.07006	13.1
64.69140	0.7
67.05425	9.2
69.03316	1.4
69.06975	1.5
71.04891	0.9
71.08548	0.8
79.05396	5.1
80.55299	0.8
81.06983	7.2
83.04894	100.0
83.08518	1.5
84.05247	0.8
85.02822	1.0
91.05407	7.2
93.06985	6.5
95.04879	3.0
95.08523	5.9
97.02782	1.0
103.05251	0.8
105.06958	4.5
107.08510	3.3
109.10102	3.7
119.08511	4.1
121.10024	1.4
123.11614	0.9
128.06100	1.0
129.06938	4.6
131.08534	1.0
133.04948	0.9
135.11664	3.2
137.09584	1.0
147.08046	3.2
147.11659	6.7
157.09969	1.2
168.64999	0.9
175.01508	13.7
182.60152	0.7
225.50359	0.7
227.04608	5.8
257.05624	11.5
277.21573	1.2
289.95349	1.1
313.11902	50.9
314.12039	0.9
351.24973	1.8
369.18103	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	386.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64215	2.1
53.03873	2.6
55.01792	11.0
55.05451	39.9
57.03374	37.1
57.06992	6.3
65.03821	3.3
67.05421	75.4
67.79642	2.6
69.03349	3.7
69.06981	28.8
72.07127	2.2
72.79556	2.3
75.90990	2.2
78.64510	2.2
79.04963	3.5
79.05403	81.4
81.06509	4.3
81.06968	90.7
83.04865	3.2
83.08521	14.0
85.02824	5.8
85.06430	4.7
87.04399	3.8
91.05397	79.2
93.06962	100.0
95.04875	13.0
95.08526	67.9
97.06449	11.8
99.08004	5.2
100.32316	2.6
105.06968	71.1
107.08524	56.7
109.06452	4.7
109.10094	24.4
111.08020	4.5
117.06932	29.0
119.08522	52.4
121.06514	2.6
121.10091	45.9
123.07988	3.8
123.11646	4.9
125.09446	3.1
129.06915	5.7
131.08519	41.4
133.10095	42.0
135.11638	21.5
137.09583	5.1
142.07776	2.6
145.10088	33.8
146.80405	2.7
147.11674	25.8
149.13190	14.0
159.11610	23.3
161.13246	13.4
171.11569	6.1
173.13187	5.8
175.14763	6.1
177.12628	4.5
177.26802	2.7
185.13148	4.5
187.14760	10.3
199.14752	3.2
201.16219	4.8
219.17307	3.7
238.60358	2.9
241.19444	12.5
259.20505	30.3
277.21533	15.5
319.57028	2.5
351.25253	35.1
387.26804	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	386.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00867	2.3
53.03872	3.8
55.01814	5.2
55.05455	33.7
57.03378	38.3
57.07016	4.6
59.76229	2.0
67.05428	82.3
69.03345	5.4
69.06986	26.0
71.04903	2.9
78.04256	2.3
79.05406	92.1
80.03853	2.1
81.06972	87.5
83.08547	16.2
84.48895	2.3
85.02833	4.2
87.04399	2.7
91.05408	76.3
93.06969	100.0
95.04900	5.2
95.08534	65.2
97.02838	2.6
97.06461	5.1
97.10120	4.4
105.06973	63.5
107.08542	53.0
109.06448	3.8
109.10103	26.5
111.08038	11.9
117.06954	26.1
119.08530	60.6
121.10099	35.4
123.08046	4.5
125.09628	3.0
129.06963	14.3
131.08553	34.5
133.10109	36.6
135.08070	2.7
135.11646	21.4
137.09586	11.1
139.11136	2.8
143.08516	9.2
145.10080	23.0
147.11670	29.9
149.13220	14.1
153.88159	2.4
157.10072	9.4
159.11714	20.5
161.13243	18.5
164.49835	2.4
171.11650	4.8
173.13272	5.1
175.14836	4.4
177.12749	3.8
185.13252	10.7
187.14804	12.6
199.14790	3.7
201.16287	2.4
241.19444	13.3
259.20517	31.2
267.34177	2.6
277.21588	13.6
340.32745	2.8
341.15170	2.5
351.25177	41.4
387.27081	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	387.1069
Annotation	Cleomiscosin B
Peak:m/z	Relative Intensity
55.01797	2.4
56.62096	1.1
56.97943	1.0
59.22654	1.1
65.03858	1.8
68.99352	1.2
69.03323	1.3
79.05410	3.1
85.02853	2.0
89.03826	2.8
91.05408	19.9
93.06986	1.5
93.14134	1.7
95.04890	19.2
95.08566	2.3
98.97523	1.6
102.04635	10.1
103.05414	24.9
103.28239	1.5
105.03326	2.1
105.06961	8.6
107.04892	11.7
107.08508	2.1
110.03625	3.2
115.05375	1.8
117.03386	1.8
119.04860	14.4
120.01986	3.3
121.06473	8.2
123.04379	23.4
124.05170	5.7
130.04109	10.6
131.04903	44.6
133.02826	14.4
134.03593	1.5
135.04388	22.5
137.05960	29.2
145.06477	6.5
146.03606	1.7
147.04382	28.5
148.01530	9.4
148.05188	3.5
149.02345	12.8
149.05962	10.1
150.06732	22.7
151.03912	8.4
151.07549	2.4
153.05434	3.0
161.02351	9.1
161.05922	9.1
162.03073	3.0
162.06760	16.7
163.03870	15.8
163.07556	2.6
165.01788	9.2
167.07051	1.8
175.03909	2.0
177.01830	1.5
179.03375	43.0
181.04884	2.2
190.02580	2.8
191.03450	1.8
193.04895	5.7
194.02087	5.5
205.04932	2.7
207.02855	51.9
208.03510	2.2
209.04401	26.5
218.02129	6.8
219.02872	9.7
221.04379	6.2
223.05902	1.7
232.96423	1.6
233.04405	7.8
245.04396	9.4
263.05405	17.0
327.28281	1.6
337.07101	5.8
369.09390	1.6
387.05643	3.3
387.10669	100.0
388.10974	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60359	1.7
51.87852	1.7
55.05416	2.0
56.96495	4.8
60.71217	1.7
67.05394	1.8
67.22819	1.8
69.03329	3.7
69.06981	3.6
70.06503	11.6
71.04877	1.9
72.08068	2.3
79.05398	4.1
81.06958	3.5
84.04408	2.4
84.08065	13.9
85.02812	4.3
86.09600	8.3
91.05396	15.9
92.10966	4.2
93.06958	4.1
95.04878	16.8
95.05913	1.5
95.08511	4.0
97.02779	2.3
98.97495	2.9
99.08001	1.7
100.11199	1.9
102.04609	39.5
103.05386	31.4
105.06969	17.9
107.04888	6.8
107.08540	2.5
109.02837	2.8
115.05396	3.7
116.98525	2.5
117.06953	10.1
119.01881	3.2
119.04896	16.4
119.08545	2.1
121.06441	2.9
123.04349	13.5
123.07983	2.3
124.05141	2.2
129.10184	3.5
130.04109	47.6
131.04884	98.7
131.08521	2.3
132.05673	2.8
133.02785	9.6
133.06418	9.7
133.10085	3.3
135.04321	13.3
135.08005	3.3
137.05934	35.6
138.06360	2.6
143.01822	2.8
145.06454	44.4
145.10068	2.3
146.03546	4.1
146.99561	3.0
147.04373	77.6
148.01511	7.7
148.05093	2.5
149.02248	3.0
149.05942	3.3
150.06702	12.8
151.03856	4.3
151.07547	2.6
156.13783	3.6
161.02190	3.2
161.05891	13.9
161.09560	2.8
162.03145	2.8
162.06712	100.0
163.03867	15.2
163.07419	11.8
165.01799	3.9
165.06923	4.3
167.07031	2.6
171.11749	2.9
179.03322	26.0
181.04901	2.1
181.06511	2.0
182.15381	2.5
183.08041	2.0
193.06369	2.2
194.02043	2.0
200.16380	2.4
207.02808	21.8
207.13681	2.5
209.04427	16.2
215.07095	2.8
221.06023	13.4
222.06593	3.5
226.37456	2.2
237.05438	2.1
249.05331	11.7
250.06247	3.5
253.08560	2.8
258.18369	3.0
266.05838	4.5
277.04828	3.0
281.07806	2.7
294.05173	2.6
309.07507	2.8
337.06964	67.3
338.07309	2.4
357.09610	4.4
369.09479	9.8
386.33841	2.8
387.10480	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	387.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02306	0.6
52.86993	0.6
53.00214	0.6
53.03883	0.8
53.30017	0.5
55.01811	1.1
56.96474	0.6
59.28988	0.7
64.33865	0.8
65.03855	2.7
67.05412	0.9
68.98260	0.6
68.99689	1.2
70.06519	0.7
77.03835	3.4
79.05396	5.2
80.64281	0.6
86.09662	0.8
89.03819	1.5
91.05396	15.6
91.28991	0.6
92.10093	0.6
93.06918	0.8
95.04888	21.2
97.44602	0.6
98.97535	1.1
102.04623	46.7
102.05311	1.5
103.05412	24.3
105.03355	5.4
105.06970	12.0
105.49234	0.7
107.04894	8.1
109.02837	1.3
109.06475	0.7
111.04391	0.7
115.05405	8.3
117.03336	1.3
117.06958	7.1
118.04098	1.4
119.04893	18.4
120.02041	4.0
121.02804	1.2
121.06454	5.1
123.04382	21.8
124.05145	3.7
130.04111	67.8
131.04895	98.6
132.05768	5.8
133.02821	10.1
133.06450	8.8
134.03603	0.9
135.04384	18.0
136.01474	0.9
136.05159	1.0
137.05956	8.1
145.06458	48.2
146.03606	7.0
146.06735	0.7
147.00758	2.6
147.04384	90.0
148.01527	8.3
148.05122	4.5
149.02321	7.6
149.05917	4.7
150.06732	18.5
151.03893	7.1
151.07556	1.5
152.08354	0.7
153.05420	1.2
155.05965	1.5
161.02277	7.4
161.05957	18.4
162.06725	100.0
163.03870	16.2
163.07501	7.3
164.04567	0.9
165.01805	3.9
165.07013	5.0
179.03355	29.8
179.06931	0.9
180.07796	1.0
181.06441	1.6
182.07220	2.7
189.07112	0.9
191.03346	4.3
192.04109	1.5
193.06456	3.3
194.02101	3.1
194.07193	1.2
201.05415	0.8
204.04141	1.6
207.02861	25.9
207.04707	1.3
207.08006	0.9
208.03615	1.2
209.04355	15.1
210.06741	4.2
220.05347	2.4
220.97540	0.7
221.05957	19.3
221.08093	0.9
222.06673	4.1
229.04912	4.3
235.07341	0.9
237.05475	3.4
237.09093	0.9
238.06203	7.5
249.05435	13.2
250.06154	6.2
253.08575	1.6
265.04868	1.1
266.05707	9.5
277.04913	7.2
278.05759	1.5
281.08072	1.5
294.05264	5.6
305.04401	1.1
309.07480	3.9
321.03757	0.9
322.04727	3.2
337.06995	71.9
338.07388	1.3
338.68866	0.8
357.09735	4.8
369.09592	11.7
387.10632	37.8
388.11072	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	0.8
54.81626	0.3
55.01809	1.5
55.05445	0.9
56.04962	0.9
57.03366	1.9
60.04448	1.6
60.23487	0.3
61.02861	0.4
65.03863	3.0
67.05426	2.0
69.03343	2.2
69.06976	0.9
70.06511	12.8
71.04904	0.7
72.08071	8.1
73.02827	0.8
74.05991	0.6
76.56259	0.4
77.16521	0.4
78.96936	0.4
81.03325	0.9
84.04431	4.3
84.08074	7.1
85.02840	4.2
85.08421	0.4
86.09636	6.1
88.03924	0.6
93.03308	0.6
95.04897	2.1
95.06017	0.3
97.02816	3.9
98.97504	0.5
99.04388	2.4
101.07081	0.5
102.05485	0.5
104.05233	0.5
108.02048	1.6
109.02843	1.6
110.07111	3.6
111.04396	7.2
112.08689	1.4
115.08617	0.4
116.07043	1.6
116.98561	0.7
125.05952	4.0
127.03886	0.7
129.10170	3.5
134.99596	0.5
137.05908	0.5
141.05463	5.7
145.04938	0.5
146.99571	0.5
151.03888	100.0
151.04980	8.4
152.04269	0.5
155.13376	0.5
158.09293	0.5
158.99605	0.6
167.28477	0.4
169.04909	4.3
175.11880	1.0
187.14223	0.4
189.00694	0.5
210.01555	0.4
219.01691	0.7
225.04083	1.3
225.07529	20.5
237.02821	0.4
243.08522	0.9
271.77985	0.4
274.18692	1.7
301.14142	0.4
344.81406	0.4
356.20099	0.4
387.12186	3.8
387.16928	0.6
387.27066	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02320	0.4
53.03878	0.7
55.01805	2.0
55.05433	1.8
56.04961	0.9
56.96498	0.7
57.03364	2.1
60.04444	1.1
60.05558	0.7
60.77620	0.4
61.01061	0.6
61.02854	0.6
65.03856	3.5
67.05426	1.8
69.03339	1.9
70.02898	0.4
70.06148	0.6
70.06506	13.8
71.04892	0.9
72.08064	9.8
73.02813	1.2
74.05966	0.7
75.04372	0.4
75.60411	0.4
75.67944	0.5
81.03320	1.2
82.22219	0.4
83.06007	0.7
84.04419	6.0
84.07594	0.6
84.08062	10.7
85.02804	5.5
86.09624	7.3
87.05522	0.6
91.05370	0.6
93.03319	0.7
95.04897	2.4
97.02821	4.0
97.06491	0.5
98.97494	0.8
99.04370	3.3
102.05474	1.0
108.02052	2.0
109.02803	2.0
110.03616	0.8
110.07111	5.2
111.04382	8.3
111.22740	0.5
112.08652	2.2
115.08653	0.6
116.07036	1.2
116.98545	1.0
125.05955	4.1
127.03836	2.2
127.08624	0.5
129.10210	3.8
130.04933	0.5
130.65016	0.5
133.06091	0.5
134.99611	0.6
136.07526	0.8
137.05937	0.8
141.05424	5.5
145.04927	0.6
151.03874	100.0
151.04956	7.2
152.04115	0.5
169.04951	6.6
175.11826	0.8
177.00594	0.9
182.94542	0.5
187.09396	0.5
190.95428	0.5
203.72275	0.4
210.01494	0.8
219.01674	0.6
225.04124	0.6
225.07523	19.9
237.02846	0.6
243.08646	2.1
261.02722	0.6
274.18570	0.9
289.11557	0.6
302.14798	0.8
326.14633	0.7
352.79333	0.6
387.12329	4.3
387.16931	0.6
387.27145	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1433
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3',4'-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
51.91491	1.5
54.59679	1.3
60.27005	1.4
60.60151	1.3
65.03847	2.7
67.05421	2.2
67.83867	1.5
79.05399	2.1
81.03304	2.1
81.06971	2.3
85.02811	2.9
91.05398	3.7
95.04891	2.4
95.08516	1.8
98.97516	2.9
103.05399	11.6
105.06974	2.5
107.04884	5.9
109.06441	2.5
109.10049	1.5
115.05357	1.8
116.98612	3.3
117.06968	3.5
117.19566	1.6
119.08491	1.7
122.03592	10.4
123.04428	1.9
124.73721	1.4
131.04889	12.8
132.05742	1.6
137.05946	100.0
137.09509	1.9
141.05447	2.4
143.04877	2.4
145.06442	2.2
148.05133	6.3
151.03894	20.5
151.05006	2.8
163.07486	10.9
167.06966	12.5
173.05943	1.9
175.07520	2.5
181.04942	17.6
190.95427	2.6
191.06982	17.1
197.33583	1.6
357.13245	8.3
387.14398	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	387.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96497	1.5
59.56270	1.1
65.03865	1.0
67.05416	1.5
68.07306	1.0
69.03336	5.0
69.06985	1.4
79.05396	7.2
81.06966	1.2
83.04863	1.1
85.02811	1.4
91.05392	2.2
93.06966	9.2
95.04881	2.0
95.08528	5.2
96.78991	1.4
103.05390	1.8
105.06971	100.0
121.06442	7.4
167.06950	1.1
185.42105	1.1
208.96329	1.4
213.21741	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25733	1.9
53.03852	2.1
54.82220	2.5
55.01801	4.0
55.05446	13.8
56.96490	2.3
57.03368	3.2
62.11118	2.6
65.03844	3.2
67.05420	16.5
69.06976	3.6
70.06501	4.5
79.05405	25.8
80.39196	2.2
81.06987	17.6
83.08543	4.6
85.02830	4.3
91.05411	28.9
91.53355	2.5
93.06974	30.3
95.04877	11.1
95.08530	5.6
98.97495	3.7
103.05423	9.9
105.07004	16.4
107.04893	44.3
107.08533	4.4
109.06474	3.1
116.98591	3.6
117.06962	9.6
119.04912	3.3
119.08547	3.4
121.06467	26.3
121.10094	3.1
122.03574	3.1
123.04348	10.9
123.08008	2.9
124.05148	10.3
125.05973	4.2
126.02211	2.2
128.06133	4.2
129.06999	3.6
130.07744	19.7
131.08693	2.6
135.08060	2.9
137.05937	17.7
143.08530	26.1
145.06538	3.8
145.10091	58.8
147.04309	4.3
149.05986	3.4
152.04628	3.4
153.06999	2.8
155.08536	16.9
158.07236	66.8
163.02657	2.7
163.07489	2.3
165.09041	2.6
166.06174	18.2
167.05548	3.3
167.06982	85.3
167.08319	4.1
173.09595	95.5
181.08557	100.0
183.09099	4.4
186.06628	4.2
189.09021	2.3
195.10112	5.7
201.09085	75.4
218.09328	3.2
232.96422	3.8
233.11650	36.1
247.46429	2.6
263.37363	2.5
266.42047	2.4
269.17462	4.0
387.17838	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	387.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48352	0.8
53.03880	2.2
55.05453	9.4
57.03371	1.1
57.07011	21.9
58.64687	0.8
67.05425	3.6
69.06989	2.4
69.87087	1.1
71.04908	17.7
73.33331	1.0
79.05385	4.1
79.56190	0.9
81.06974	4.9
83.04893	24.0
91.05393	6.4
93.06941	5.0
95.04888	8.4
95.08534	2.5
98.98387	1.6
101.05941	4.6
105.06966	4.0
107.08556	1.2
109.10107	1.3
119.08553	2.3
121.10058	1.0
133.10081	1.9
147.08006	4.8
147.11665	4.0
175.01509	100.0
180.63281	1.0
193.02594	5.3
197.14085	1.2
227.04599	1.8
231.07780	5.0
275.06778	8.8
307.51880	1.2
331.12979	51.3
387.19226	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	387.2009
Annotation	Corchoionoside C
Peak:m/z	Relative Intensity
52.55128	0.4
54.81089	0.4
55.01808	0.5
55.05451	3.9
57.03376	0.4
57.07011	4.3
59.04917	0.7
59.96308	0.4
59.99781	0.4
60.12624	0.4
67.05074	0.8
67.05426	20.5
68.43008	0.4
69.03341	2.7
69.06985	2.6
70.62585	0.4
71.04879	0.8
79.05399	1.0
81.06956	3.6
83.04896	1.0
83.08513	0.5
85.02825	2.4
85.06461	8.9
91.05417	3.4
93.06960	8.4
95.04893	3.1
95.08529	100.0
96.08863	2.2
97.06474	0.5
105.06980	4.9
107.08532	6.8
109.06474	2.3
109.10092	1.0
111.08035	0.5
113.05954	6.4
114.05408	0.4
119.08531	14.0
121.06476	0.9
121.10095	5.5
123.08018	27.7
123.11636	2.8
124.08379	0.6
131.08447	0.8
133.06502	0.6
133.10089	3.0
135.11649	10.2
137.09619	1.8
137.13243	0.6
137.37752	0.4
147.07988	0.8
147.11676	3.7
149.09595	14.6
151.07510	0.9
151.14812	2.8
161.09511	0.7
161.13206	7.2
163.11168	2.7
165.12704	4.7
171.11678	0.7
174.10353	1.1
179.14304	0.9
189.12706	5.6
207.13759	24.6
408.17557	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00246	0.7
53.03877	1.7
55.01813	1.0
55.05444	7.8
56.04963	1.3
56.96482	1.2
57.03366	3.0
59.04650	0.6
59.04932	17.4
61.02856	1.1
67.05428	13.6
69.03349	8.5
69.06993	6.4
70.06506	11.7
71.04895	1.7
72.08059	13.3
74.05994	0.9
79.05402	6.9
80.59712	0.7
81.03317	3.7
81.06971	10.2
83.04880	3.9
84.04413	3.7
84.08056	16.6
85.02830	14.1
86.09624	15.8
88.03907	0.8
91.05401	15.8
93.06967	15.6
95.04906	8.9
95.08528	11.1
97.02819	4.1
97.06429	1.3
98.97526	2.8
101.05959	3.4
103.05411	3.9
105.06968	31.6
107.04887	3.6
107.08533	51.3
109.06465	26.1
109.10088	15.8
110.07101	3.6
111.04375	1.3
111.08039	1.8
116.98558	3.1
117.06944	3.4
119.08523	25.3
120.08088	3.6
121.06440	5.4
121.10091	6.8
122.07207	2.8
123.08015	36.4
123.11593	1.0
125.05969	0.9
127.03860	1.4
129.10175	7.2
131.04892	1.4
131.08537	3.5
133.06421	3.5
133.10060	6.5
135.08012	17.9
135.11618	9.8
136.07481	0.8
136.08420	0.8
137.05949	2.8
137.09586	100.0
143.08533	1.1
145.10098	1.5
147.08035	4.1
147.11678	14.2
149.09535	6.8
151.07518	3.7
151.11122	6.0
153.09076	9.6
156.09320	4.1
157.09721	1.0
159.11699	1.3
159.36890	0.8
161.09605	1.4
161.13191	12.7
163.11182	1.5
171.11617	3.2
175.02766	1.3
177.12666	1.7
178.88844	0.8
179.14207	1.4
189.12686	10.7
193.03828	1.5
197.04196	0.8
207.13730	13.7
208.96489	0.9
213.04305	4.3
225.14845	10.4
231.05312	8.5
249.06271	6.9
387.13513	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82164	0.1
53.03881	0.2
53.59175	0.1
55.05455	1.5
56.04971	1.5
56.45881	0.1
56.96492	0.5
57.03362	0.3
58.06517	0.1
60.04435	0.8
60.05569	0.1
61.01081	0.2
61.02846	0.2
62.00832	0.1
67.05406	0.2
69.03342	1.1
69.06985	2.2
70.02837	0.1
70.06506	7.4
71.04899	0.2
72.08064	12.4
73.02810	0.2
73.08404	1.0
74.02333	0.8
74.05982	2.0
79.05396	0.5
81.03316	0.6
81.06989	0.3
82.06484	0.2
83.04906	1.2
83.05977	0.2
83.90560	0.1
84.04420	3.0
84.08062	6.0
85.02823	3.0
85.06442	0.2
85.08392	0.5
86.09621	11.5
87.04398	0.2
87.09943	1.0
88.03910	1.6
90.05441	0.1
91.05396	0.8
93.06953	0.6
95.04900	0.2
95.05993	0.2
95.08527	0.6
97.02811	0.7
97.03880	0.2
98.97491	0.3
101.07059	0.1
102.05470	1.2
104.05265	0.2
105.06970	0.3
107.04890	4.0
107.08565	0.4
109.02832	0.2
109.06459	0.6
109.51315	0.1
110.03564	0.1
110.07117	1.8
112.08661	1.1
113.07055	0.2
115.08636	0.5
116.07029	1.2
116.98579	0.2
119.04867	0.2
119.08546	0.2
120.08038	1.0
121.02791	0.6
121.10098	0.6
122.10372	0.1
123.07982	0.2
125.05960	0.2
127.03815	0.3
129.06529	0.2
129.10181	2.4
130.04962	0.2
130.06509	0.2
130.08566	0.6
131.04875	0.2
131.08533	0.2
132.08029	0.3
134.04437	0.8
134.99611	0.6
135.04370	2.9
136.07550	0.8
137.06000	0.2
138.03088	0.7
143.11726	0.2
145.09970	0.1
149.02304	11.6
149.09608	0.5
150.03084	0.3
152.07997	0.2
152.14290	0.1
153.05434	4.0
155.08078	0.2
159.09201	0.2
161.01070	0.2
163.03850	7.6
165.05443	0.6
166.02560	1.8
167.06989	0.2
169.07571	0.6
170.06044	0.2
171.14859	1.9
177.01883	0.9
181.04897	3.2
185.16446	0.2
189.12300	1.2
190.08594	0.2
190.95338	0.1
194.02058	9.5
199.14436	1.0
200.14781	0.2
201.08684	0.2
207.13747	0.1
208.09610	0.2
209.04401	100.0
210.04749	1.8
219.01631	0.2
225.14838	0.5
237.02884	0.2
241.12924	0.2
269.03302	0.3
395.06323	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91164	0.1
51.49092	0.1
51.60682	0.1
58.73436	0.2
63.22108	0.1
70.06492	0.2
74.05998	0.2
79.05402	0.8
82.59398	0.2
83.06015	0.2
84.04407	0.7
84.08060	0.3
85.02820	0.3
86.09624	1.1
88.58602	0.1
91.05384	0.2
93.06955	1.3
95.04896	0.4
99.98182	0.2
103.05400	6.4
107.04894	2.1
110.07116	0.4
119.69106	0.2
120.08050	100.0
121.08394	1.4
131.04858	2.1
141.58221	0.2
145.65819	0.2
149.05980	1.9
166.08591	20.6
167.08942	0.2
196.14525	0.2
197.12860	0.2
318.60345	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	1.6
55.56652	0.8
56.04980	1.5
56.44722	0.6
56.96500	2.0
57.03362	0.9
58.42179	0.7
58.79669	0.7
61.02824	1.0
67.05416	2.0
67.05743	0.7
69.03333	6.3
69.06975	3.6
70.06500	8.7
71.04913	1.3
72.08067	3.1
79.05386	2.0
81.06985	6.9
83.04897	0.9
84.04410	1.1
84.08070	5.8
85.02826	4.9
85.06433	0.9
86.09622	7.2
91.05397	5.0
93.06944	2.0
95.04877	3.2
95.08499	1.6
97.02824	0.9
98.97504	1.9
102.33744	0.8
103.05392	7.8
105.06966	8.1
107.04883	1.7
107.08530	20.2
109.02805	0.9
109.06470	8.3
109.10097	5.4
110.07128	1.8
115.05392	1.6
116.98562	1.5
117.06962	4.2
119.08511	2.0
119.74966	0.8
120.08041	3.2
121.06438	1.1
121.10094	16.4
122.07249	4.1
123.07992	1.6
129.10226	0.9
131.04892	8.7
131.08511	3.5
133.10086	100.0
134.10435	3.8
134.99634	1.1
135.08011	17.7
135.11676	0.9
137.05971	5.6
137.09583	63.6
137.62190	1.0
138.09923	1.2
145.10095	1.9
147.11676	1.4
149.13237	13.9
153.05421	0.8
163.07491	1.3
163.14783	3.1
173.13220	6.2
175.07306	0.8
190.95268	1.0
191.14247	27.5
209.15341	12.5
237.02687	1.7
243.17073	0.9
306.25674	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19633	2.7
52.37427	3.0
53.00232	3.7
53.03893	2.7
55.01817	4.3
55.05451	29.8
57.03365	5.7
57.06995	7.5
63.26171	2.7
64.32973	2.8
67.05433	100.0
69.06993	30.3
69.37121	2.8
71.04906	4.6
71.08550	36.8
76.55892	3.1
79.05411	41.2
81.06976	97.1
83.04912	3.6
83.08527	14.8
91.05391	27.2
93.06982	43.4
94.06487	3.3
95.06017	7.8
95.08535	62.2
97.10097	12.6
99.08015	24.2
105.06973	19.1
107.08545	36.4
109.06564	3.2
109.10120	41.3
119.08524	14.2
121.10094	19.2
123.11619	3.8
125.09606	4.3
128.66154	4.0
131.08530	17.2
135.11705	7.7
145.10104	7.2
147.11655	15.7
149.13283	6.1
153.34726	3.3
159.11746	3.4
163.11180	3.9
163.14766	5.1
173.11674	3.8
173.13164	3.8
181.15681	3.7
229.14275	6.1
243.21057	7.2
253.67010	3.4
261.22122	16.7
279.23181	14.8
344.30417	5.5
348.69168	3.6
353.26740	41.4
377.02792	3.4
389.22769	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	388.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01798	1.0
55.05458	13.2
57.03351	1.5
57.07010	5.2
58.23368	1.1
67.05420	16.9
69.03370	1.2
69.06979	19.5
70.63324	1.2
71.04913	2.5
71.08546	29.3
73.44479	1.2
79.05409	9.6
81.06973	28.6
83.08533	7.6
85.06474	1.5
86.99340	1.4
91.05392	2.2
92.10284	1.3
93.06971	23.3
95.04883	2.4
95.08529	23.3
97.06460	6.6
97.10123	4.9
99.08028	20.7
105.06969	8.6
107.08544	18.1
109.06460	10.6
109.10101	8.0
110.78516	1.2
111.08018	2.0
113.72551	1.1
116.01062	1.6
119.08551	6.8
121.10096	7.0
123.08034	5.2
123.11665	4.7
131.08565	2.0
133.10075	5.8
135.11642	5.0
137.09572	1.2
147.11679	2.8
149.13277	5.3
151.11240	1.3
153.06393	1.2
153.12704	1.4
161.13196	1.7
163.14832	1.7
165.12675	18.8
170.72401	1.3
175.01678	1.4
175.14790	2.3
179.14328	1.2
191.41768	1.2
193.15817	7.8
235.16917	5.1
283.03729	1.3
291.23083	38.5
309.24179	65.0
353.26797	100.0
354.26944	1.5
357.36292	1.2
359.39096	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05224	2.1
55.05448	20.1
57.03364	4.5
57.07005	4.1
67.05070	4.0
67.05424	91.6
69.06999	18.4
71.08548	3.0
74.66234	2.0
77.69010	1.8
79.05404	74.6
81.06974	100.0
83.04909	3.3
83.08542	7.9
85.06480	2.3
89.05996	2.0
89.10024	2.1
91.05400	33.6
93.06972	79.6
95.04900	8.7
95.08532	61.1
97.06457	2.4
97.10072	2.2
99.08031	2.5
105.06975	24.4
107.04894	13.1
107.08541	47.9
109.10114	25.0
113.09634	2.5
117.06976	15.5
119.08538	14.0
121.10108	23.9
123.11654	9.2
131.08516	26.6
132.91266	2.2
133.10086	9.8
135.08035	2.1
135.11636	20.5
141.66138	2.2
145.10100	15.9
147.11694	3.7
149.09679	3.0
149.13220	15.8
151.14830	2.8
159.11662	8.9
161.13225	9.2
163.07507	3.7
163.14775	10.8
173.13242	11.0
177.16324	3.0
187.14809	5.2
194.09306	2.4
195.10115	8.1
196.56992	2.2
201.16391	3.7
233.22511	2.5
243.20996	17.7
245.32881	2.1
260.02887	2.2
261.22076	61.8
261.24640	3.8
321.43292	2.7
335.25534	3.2
353.26691	15.7
399.47443	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05224	2.1
55.05448	20.1
57.03364	4.5
57.07005	4.1
67.05070	4.0
67.05424	91.6
69.06999	18.4
71.08548	3.0
74.66234	2.0
77.69010	1.8
79.05404	74.6
81.06974	100.0
83.04909	3.3
83.08542	7.9
85.06480	2.3
89.05996	2.0
89.10024	2.1
91.05400	33.6
93.06972	79.6
95.04900	8.7
95.08532	61.1
97.06457	2.4
97.10072	2.2
99.08031	2.5
105.06975	24.4
107.04894	13.1
107.08541	47.9
109.10114	25.0
113.09634	2.5
117.06976	15.5
119.08538	14.0
121.10108	23.9
123.11654	9.2
131.08516	26.6
132.91266	2.2
133.10086	9.8
135.08035	2.1
135.11636	20.5
141.66138	2.2
145.10100	15.9
147.11694	3.7
149.09679	3.0
149.13220	15.8
151.14830	2.8
159.11662	8.9
161.13225	9.2
163.07507	3.7
163.14775	10.8
173.13242	11.0
177.16324	3.0
187.14809	5.2
194.09306	2.4
195.10115	8.1
196.56992	2.2
201.16391	3.7
233.22511	2.5
243.20996	17.7
245.32881	2.1
260.02887	2.2
261.22076	61.8
261.24640	3.8
321.43292	2.7
335.25534	3.2
353.26691	15.7
399.47443	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96072	2.7
57.07011	23.7
58.06535	3.7
71.08530	7.5
75.64528	3.4
77.00542	4.6
80.41672	3.4
85.10081	7.4
85.57864	3.2
95.08533	5.1
105.03670	80.4
112.53444	3.3
122.06345	18.0
324.32547	100.0
388.32352	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	388.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	0.7
55.05439	0.8
57.07013	7.0
67.05414	1.5
71.08548	3.2
72.18752	0.7
79.05410	4.0
85.10061	1.1
95.08514	1.8
103.05417	1.1
105.06970	100.0
114.38292	0.9
117.47598	0.9
122.09614	13.8
187.50677	0.9
209.02219	0.7
239.94086	0.9
255.29443	1.0
284.29407	1.0
388.35583	27.6
389.35910	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	2.3
56.96498	2.6
65.03852	4.2
67.05423	2.8
69.83336	2.1
70.06509	5.4
70.65121	2.3
71.88537	2.1
78.04594	2.6
79.05398	9.6
81.06931	3.6
84.04423	3.2
84.08057	4.6
85.02814	2.7
86.09619	11.5
88.66924	2.2
91.05415	17.4
92.93065	2.2
95.04884	12.0
97.06410	2.6
103.05388	11.9
104.44590	2.4
105.06964	11.8
107.04874	11.4
107.08528	4.1
109.06446	2.4
110.07099	4.9
111.04369	3.4
114.09117	2.3
114.81337	2.6
115.05361	2.9
116.98536	3.4
117.06982	2.5
119.04961	3.1
120.08040	2.9
121.02763	3.9
121.06467	4.0
123.04352	18.2
123.07991	3.5
127.41972	2.1
129.06921	11.0
131.04880	15.3
131.08432	2.8
132.05659	3.1
132.07990	2.6
133.06422	4.0
134.99675	2.7
136.05113	3.7
137.05928	16.1
145.06436	3.5
151.03760	3.1
151.07481	8.5
152.04584	3.5
159.08035	3.3
160.05040	3.3
161.05875	9.4
165.08961	3.0
167.07001	100.0
175.07492	21.0
178.07632	3.6
179.06934	13.1
181.04973	3.5
187.07370	3.7
189.08965	2.7
191.06917	5.5
195.08160	3.7
203.08647	2.8
219.09927	3.1
223.07469	3.7
234.06645	2.7
237.09102	2.9
249.09006	3.1
277.08636	2.7
298.97348	2.6
309.11044	2.5
313.10989	4.1
327.12305	3.3
359.14911	6.7
371.14786	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	389.178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68200	0.3
53.03890	0.4
55.05453	1.3
56.04979	1.6
57.03377	0.6
60.04465	1.3
67.82224	0.3
68.79684	0.3
69.03344	0.6
69.06987	1.3
70.06507	9.4
70.15816	0.3
71.04903	0.4
72.08070	7.4
74.06001	0.8
81.03346	0.7
82.05319	0.3
84.04431	4.6
84.08073	8.3
85.02818	2.6
85.06474	0.3
86.05982	0.4
86.09622	7.5
87.09959	0.4
88.03922	0.4
91.05424	0.7
93.06977	0.5
95.65526	0.3
97.02830	1.4
98.97529	0.7
99.04427	0.4
101.10741	0.4
102.05476	1.4
103.05413	0.6
105.06977	2.5
107.04913	0.4
107.08528	0.5
109.02846	0.5
110.07117	4.2
115.05367	0.3
116.07029	0.7
119.04913	0.3
120.08099	2.0
125.71443	0.4
127.03831	0.4
129.06560	0.3
129.10214	4.2
130.04993	0.5
133.02835	0.8
133.06488	1.8
136.07559	0.4
137.05977	0.7
149.02368	0.5
161.05969	1.9
163.03894	0.5
167.07010	0.4
170.05972	0.3
173.12990	0.5
177.09160	0.3
178.02603	0.4
181.04909	0.5
181.06430	0.3
187.08737	0.4
193.04961	3.9
193.08537	0.4
194.05295	0.4
201.12216	0.4
203.08171	0.3
203.13928	0.3
209.04550	0.3
209.11464	3.1
215.10602	0.4
215.13895	0.4
223.07935	0.4
227.12503	5.8
237.02946	0.4
247.09581	0.8
250.03583	0.4
259.11972	0.7
288.13400	5.2
328.28827	0.4
343.14017	1.4
343.24020	0.3
345.15469	3.2
381.04404	0.3
389.17825	100.0
390.18207	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	389.2163
Annotation	Macarangioside F
Peak:m/z	Relative Intensity
53.03874	0.4
55.01806	0.4
55.05436	1.3
56.04965	0.3
57.03356	0.5
61.02841	0.9
64.33728	0.2
67.05406	0.9
69.03337	2.4
69.06975	1.2
70.06177	0.2
70.06508	3.1
71.04895	1.6
72.08047	1.3
77.52609	0.2
79.05387	1.4
81.03327	1.2
81.06970	1.0
84.04398	0.9
84.08062	1.9
85.02821	6.2
85.06474	0.3
86.09629	2.3
86.52802	0.2
91.05403	1.3
92.10911	0.3
93.06965	4.7
95.04866	0.4
95.08517	1.3
97.02813	1.3
97.06439	0.4
98.97491	0.3
99.04381	2.8
103.05377	1.3
105.06975	2.6
107.04880	0.3
107.08543	3.2
109.02824	0.4
109.06449	1.3
109.10084	1.1
109.33224	0.2
110.07108	0.6
116.98547	0.3
119.08529	1.0
120.08038	1.1
121.06432	0.5
121.10087	7.6
123.07994	0.8
123.11631	0.4
127.03887	0.6
129.10211	0.9
131.04881	1.4
131.08505	0.4
133.10083	1.7
135.08011	1.2
135.11635	0.5
136.07532	0.4
137.05943	0.4
137.09579	1.4
139.11140	0.3
145.05031	0.3
145.10124	0.4
146.17462	0.2
149.09584	100.0
150.09959	2.6
151.11156	1.0
163.14804	0.4
170.77501	0.2
173.13116	0.4
178.84084	0.2
191.14284	3.6
209.15326	5.9
227.16330	2.1
235.64073	0.2
327.91275	0.3
368.23309	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2167
Annotation	Debiloside B
Peak:m/z	Relative Intensity
52.96478	0.5
53.03891	0.7
55.01805	1.3
55.05452	13.1
57.03383	2.1
57.07003	2.6
59.04931	2.0
61.02855	0.8
61.38337	0.4
67.05423	6.0
68.99706	1.2
69.03345	31.4
69.06989	10.0
70.06509	2.6
71.04909	3.6
72.08070	3.1
76.05068	0.5
76.60212	0.4
79.05392	5.2
81.03338	0.9
81.06969	10.5
82.12770	0.5
83.04902	14.5
83.08533	8.0
84.04442	0.7
84.08095	1.2
85.02831	6.1
85.06483	5.8
86.09625	2.2
88.76881	0.5
89.05946	0.8
91.05396	5.3
93.06974	13.6
95.04893	3.1
95.08536	11.2
97.02838	1.3
97.06470	2.9
97.10100	14.4
98.10447	0.6
99.08028	14.3
103.05399	7.6
105.06976	5.9
107.04934	0.7
107.08537	35.7
109.06467	6.2
109.10101	9.8
111.04361	0.6
111.08025	13.2
113.05965	5.6
119.08524	3.2
120.08218	0.5
121.06453	2.8
121.10096	20.1
123.08009	3.3
123.11658	3.0
125.05947	4.1
125.09583	100.0
126.09912	2.3
127.03883	0.6
127.07533	3.4
129.10164	0.9
131.04893	8.1
131.08548	4.0
133.10126	6.5
135.08038	11.5
135.11636	3.5
137.09566	5.1
139.07503	6.7
139.11140	1.2
143.08484	0.7
147.11668	2.9
149.09592	99.9
149.13202	9.8
150.09940	3.2
151.11143	24.2
152.85304	0.6
153.07813	1.0
153.09076	29.5
154.09866	7.5
158.10901	1.2
163.07513	2.3
163.14799	9.2
165.12698	1.3
167.10585	0.7
173.13200	7.9
181.15913	0.6
189.85239	0.6
191.12473	0.8
191.14261	32.0
193.04926	3.5
209.15324	97.1
210.15680	3.6
227.16406	9.9
352.59286	0.5
394.95303	0.6
409.01511	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2166
Annotation	Foliasalacioside A1
Peak:m/z	Relative Intensity
53.03878	1.6
53.76388	0.9
54.81973	1.0
55.01794	4.5
55.05444	10.6
57.03365	8.1
57.06994	6.3
58.34898	0.9
59.04932	3.7
60.20215	0.9
63.12606	0.9
64.33265	1.0
67.05428	15.1
68.99684	1.5
69.03352	11.7
69.06986	20.4
70.06484	1.8
71.04895	6.5
72.08051	1.1
79.05411	15.2
81.03307	1.9
81.06510	1.3
81.06972	28.3
83.04891	16.8
83.08534	10.1
84.61665	1.0
85.02820	12.5
85.06474	10.2
85.87498	0.9
86.09602	4.7
90.45043	1.2
90.61771	0.9
91.05390	16.6
93.06969	45.0
95.04897	10.1
95.08529	36.2
97.02792	2.0
97.06442	9.3
97.10085	1.2
99.04365	1.4
99.08024	29.6
105.06971	23.5
107.04917	11.2
107.08533	85.1
109.02818	1.1
109.06470	21.7
109.10094	24.6
111.08020	8.7
116.20975	1.0
117.06966	4.6
119.08527	11.7
120.08034	1.5
121.06450	28.8
121.10091	61.8
123.08013	32.8
123.11651	8.4
125.05927	4.9
125.09597	15.9
131.08536	26.2
133.10095	32.2
135.08014	25.4
135.11639	7.0
137.09589	14.7
139.07481	1.7
139.11116	5.4
143.08516	1.5
145.10068	7.4
147.11676	11.4
149.09593	100.0
149.13217	25.8
150.09962	1.5
151.11148	37.1
153.09050	10.4
158.10860	6.6
160.42706	1.0
163.11133	2.5
163.14780	30.2
173.13213	28.3
191.14258	61.3
209.15326	84.1
210.15681	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	1.7
67.05441	2.0
69.07001	1.5
74.48888	1.4
80.73228	1.3
81.06987	2.0
98.78284	1.8
107.08543	2.0
121.94181	1.8
138.11832	1.7
270.34485	1.6
277.97113	2.0
389.22916	100.0
389.27921	4.0
390.22882	2.8
404.76950	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67385	0.2
54.82150	0.2
55.01798	0.3
55.05450	2.6
56.04962	1.8
56.49513	0.2
57.03359	0.2
60.04440	0.4
61.02838	0.2
63.35379	0.2
69.03334	1.0
69.06985	0.8
70.06506	5.7
72.08065	48.9
73.08412	0.4
74.05978	3.1
79.05414	0.3
81.03306	0.2
81.06958	0.3
83.04879	0.3
84.04430	3.7
84.08062	5.5
85.02821	1.2
86.09621	100.0
87.05533	0.3
87.09956	1.7
88.03884	0.8
91.05401	1.1
95.04858	0.3
95.08495	0.2
97.02803	0.3
98.97504	0.4
101.07069	0.4
102.05460	1.6
103.05377	0.5
105.06965	2.1
107.04892	0.2
107.08478	0.3
110.07105	3.2
111.07369	0.2
112.08691	0.3
116.06963	0.2
116.98581	0.3
119.08582	0.3
120.06543	3.0
120.08055	1.3
121.06455	0.2
121.23737	0.2
127.03879	0.4
127.08679	0.3
128.10672	0.3
129.10190	37.5
130.04935	2.2
130.10539	0.5
133.02783	0.3
133.06470	1.3
136.07555	1.2
137.05951	0.4
138.32738	0.2
142.12273	0.2
143.11804	0.5
151.35715	0.2
157.09676	8.0
157.10870	0.3
158.10016	0.2
161.05980	1.7
173.12898	0.4
178.02625	0.2
185.16431	0.3
187.14426	1.3
189.12447	0.4
193.04926	2.4
193.08534	0.4
194.05231	0.2
201.12337	0.5
215.13878	4.7
225.15938	1.9
233.14908	12.0
270.18018	5.7
371.22717	3.5
389.17752	13.5
389.22888	0.5
390.10635	0.2
390.18030	0.4
400.22592	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96244	2.4
56.96504	49.9
57.07014	3.6
68.26408	1.7
71.08539	2.6
74.97513	2.1
79.28788	2.0
82.19026	1.8
82.75171	2.3
85.96648	1.8
95.08482	2.1
116.98538	4.1
124.81821	2.2
128.98570	11.7
134.99666	3.7
137.02710	2.5
144.74895	1.9
146.99625	20.1
149.01181	4.0
149.02280	32.4
157.11325	2.0
165.00723	4.4
171.03259	13.0
176.14149	2.0
185.04765	4.5
189.04253	22.6
201.04410	2.4
203.05850	21.1
215.05841	3.7
217.07430	4.7
221.06929	3.0
223.08435	3.2
225.07907	3.7
227.09538	3.6
229.07320	2.9
237.04219	3.4
237.08064	2.3
243.08972	3.4
245.10591	19.2
251.05920	3.8
262.08890	3.0
273.10095	2.6
278.11008	2.3
279.09036	9.1
280.09601	10.4
281.10492	2.5
297.09897	3.6
331.15793	21.9
349.16791	100.0
350.17084	3.9
367.17841	82.1
385.18790	13.6
389.23227	4.0
390.23227	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	390.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08515	1.0
51.52152	0.9
53.20070	1.0
56.96500	50.8
60.52386	1.1
61.35242	1.1
66.66653	1.1
69.07017	1.1
71.95172	4.7
72.55360	1.1
72.95953	2.5
74.97515	4.5
75.58489	1.0
84.95921	2.0
92.98537	1.5
97.96723	9.7
98.97553	1.3
110.97504	4.8
115.97822	8.2
116.98540	1.6
128.98558	11.2
133.98828	6.8
146.99629	15.5
149.02281	5.3
153.02235	1.3
155.03746	1.4
160.00343	4.6
161.01183	2.6
165.00653	4.8
169.05376	1.5
171.03214	4.7
173.01198	2.9
175.02731	1.5
185.04872	2.4
185.98235	1.6
187.02724	2.3
189.04274	5.4
190.05066	1.6
193.03836	1.2
194.42899	1.1
199.02797	4.8
199.06401	2.5
203.05928	10.0
205.07423	1.6
207.83224	1.2
211.06404	1.4
213.04291	1.6
213.08012	2.4
216.03026	1.9
216.06757	2.1
217.03822	4.5
217.07394	12.6
223.08356	2.1
225.07887	2.0
227.09444	1.6
231.09009	17.2
237.04204	2.3
239.09464	12.4
241.07318	2.3
241.11052	38.9
242.08191	6.1
242.10689	1.2
243.08913	4.0
245.10651	1.5
249.07852	1.3
253.11023	2.0
254.11859	1.3
255.08978	1.9
257.10522	13.0
259.12115	91.5
260.09232	6.4
267.08951	4.7
269.10480	7.6
271.12094	4.8
273.09787	1.7
279.08969	4.7
280.09698	6.0
282.13651	2.0
285.10040	2.8
287.11588	7.1
297.10141	5.5
298.10971	8.8
307.15646	2.3
316.11905	5.8
327.79245	1.2
331.15717	7.3
349.16766	48.2
350.17236	1.6
367.17838	100.0
368.18295	4.6
385.18893	13.0
390.19363	6.8
413.70627	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63247	3.0
53.03885	3.1
55.01802	3.8
55.05443	16.8
56.96498	6.2
57.03372	4.4
57.06997	8.2
67.05428	18.9
69.03345	15.5
69.06985	17.0
70.06499	4.9
71.04900	61.7
71.08533	6.1
73.02840	4.2
75.39654	3.2
79.05403	25.3
80.80395	2.9
81.06976	100.0
83.08524	8.2
85.02829	20.5
85.06446	37.2
85.12099	3.3
86.09628	5.3
91.05396	20.0
93.06978	53.4
93.69833	3.3
95.04877	4.3
95.08533	81.4
96.87733	3.4
97.02861	5.3
97.06470	6.6
97.10082	5.6
99.08006	8.4
105.06969	24.6
107.08533	61.5
107.53063	3.2
109.06445	5.7
109.10114	22.9
111.08017	14.7
119.08545	35.4
121.10110	21.1
123.08002	3.7
123.11655	17.2
133.10107	26.0
135.11647	17.8
137.09499	3.9
145.10133	5.2
147.11668	26.0
149.02321	95.0
149.13237	31.5
150.96886	5.0
156.44252	3.3
163.14777	51.0
167.03322	6.2
167.07011	5.2
171.92650	4.1
174.96828	3.6
175.14842	18.8
181.15823	36.8
193.15852	28.5
211.16873	76.8
314.22922	4.6
354.23358	3.8
390.27597	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	390.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00235	1.5
55.01823	1.5
55.05450	33.1
57.03367	9.7
57.06734	3.3
57.07013	100.0
58.95612	1.7
63.60429	1.4
65.03859	1.7
67.05427	52.9
69.06989	41.1
71.08546	98.6
73.06465	3.7
77.89259	1.6
78.44180	1.4
79.05408	18.3
81.06973	75.9
83.08529	28.8
84.69846	1.5
85.06470	2.6
91.05408	9.1
93.06982	13.3
95.08533	42.2
97.06458	3.9
97.10095	25.5
105.06953	10.3
107.08527	16.2
109.10105	30.2
110.07307	1.7
111.08054	2.3
111.11650	7.5
119.08511	3.5
121.02742	2.4
121.10079	8.3
123.08096	1.6
123.11673	22.2
133.10100	7.7
135.11639	3.1
137.13266	3.2
141.12735	26.6
147.11671	3.7
148.23300	1.8
149.02316	94.8
151.14705	1.5
161.13187	3.7
163.14771	1.8
167.03349	3.6
175.14799	6.7
177.16508	2.1
193.15825	2.0
202.21150	1.6
226.04414	2.3
235.24017	1.9
245.22528	11.7
253.25111	2.7
263.23557	9.0
281.24985	2.0
299.25821	19.2
330.91028	1.8
355.28366	99.5
355.32730	3.3
356.28580	8.4
390.29800	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	390.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	32.5
56.50621	2.0
57.03355	8.4
57.07008	22.1
57.56314	1.8
65.03863	2.2
65.15267	1.9
67.05427	28.1
69.06993	38.7
71.08546	81.0
79.05398	5.1
81.06974	31.4
83.08538	37.1
91.05402	3.7
91.31036	2.0
93.06973	10.2
95.08528	40.9
96.77962	2.1
97.06485	2.5
97.10104	25.8
99.08020	36.9
105.06954	3.2
107.08537	12.3
109.10103	19.3
111.11664	8.2
121.02792	3.9
121.10115	2.8
123.11638	7.9
133.10068	2.9
135.11694	2.4
136.89441	2.1
147.11696	3.9
149.02309	100.0
149.13210	4.0
167.03337	2.8
172.95117	2.5
191.26656	1.9
204.08850	2.2
263.23730	3.4
275.30557	2.1
299.25787	27.4
355.24152	2.8
355.28351	68.9
361.60666	2.4
378.07166	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	390.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03733	3.4
52.68064	3.5
55.05455	35.4
57.07010	8.1
64.33503	3.3
66.77290	4.0
67.05421	15.6
67.51949	3.6
69.06981	19.4
71.08543	25.7
78.95413	3.8
79.05398	7.0
79.78296	3.3
81.06978	22.9
83.08532	44.5
85.06489	3.8
93.06967	20.0
95.08519	21.9
97.10074	4.9
99.07991	6.8
100.11193	100.0
105.07000	5.2
107.08537	4.9
109.06458	21.0
109.10100	16.7
115.64385	3.6
119.08559	4.1
119.60201	3.7
120.47505	3.5
133.10120	5.0
137.08044	4.1
149.02327	76.7
165.12709	23.3
167.03334	6.7
168.12709	3.6
212.63458	4.0
290.24506	3.9
291.23209	29.3
292.26160	7.5
382.39001	4.0
390.29092	5.8
390.33594	87.1
391.34109	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	390.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70636	1.2
54.57740	1.6
57.06777	1.5
57.07014	23.6
58.06528	2.3
65.03870	1.4
67.05408	1.7
69.06992	1.7
70.06511	33.5
71.08547	11.0
72.08067	2.3
80.32751	1.5
81.06958	2.7
84.08041	2.1
86.09622	5.6
88.07547	12.5
93.06929	1.4
95.08512	2.3
102.09113	7.5
103.42294	1.7
107.08566	1.7
107.51511	1.5
132.10144	13.2
146.11740	9.6
149.02321	87.0
149.03503	3.4
167.03375	6.7
172.95177	1.9
190.96280	3.0
240.26874	2.0
284.26660	1.7
284.29453	24.4
328.32025	60.8
390.29868	6.7
390.35626	100.0
391.24298	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60255	0.5
55.01812	1.0
55.05447	1.6
56.04976	7.1
56.96485	1.0
57.03381	0.8
57.07005	10.0
57.83788	0.6
60.04438	1.4
61.01073	3.0
64.33371	0.7
65.03841	1.2
67.38935	0.6
68.04973	0.8
69.03336	1.6
69.06979	4.8
70.06136	1.2
70.06506	31.6
71.08546	10.2
72.08063	8.1
74.05981	1.0
83.06025	15.1
84.04425	26.7
84.08067	14.6
85.02823	1.6
86.09620	23.2
88.03901	0.8
91.05398	1.4
91.26604	0.6
92.10278	0.8
95.04922	1.5
95.06001	0.8
96.04411	3.6
97.03957	1.4
97.07579	1.2
98.97506	0.9
101.07059	1.6
102.05486	3.5
104.05276	4.8
105.03375	0.7
105.06959	1.1
107.08524	0.8
109.06438	0.7
110.07107	9.4
111.04377	1.5
111.05506	10.2
112.06298	12.3
112.08665	0.7
115.08647	1.7
116.07047	1.2
116.98593	1.5
119.08562	1.0
120.04423	3.5
120.08051	10.3
121.02837	5.7
123.04387	1.3
125.07043	1.1
127.03861	4.4
129.06525	7.7
129.10199	7.0
130.06450	2.7
132.04410	62.6
132.08031	1.3
133.03125	3.8
134.05981	0.8
136.07492	0.7
137.05971	1.0
139.03877	8.0
141.06535	0.8
144.08041	1.0
146.06010	3.2
149.02307	100.0
150.05785	5.1
152.10680	1.4
158.06013	3.9
159.07883	0.7
159.09129	5.6
160.07491	1.2
167.03374	6.8
170.05939	1.3
173.06984	1.1
177.00662	1.4
187.10678	0.7
188.07045	4.1
196.14368	9.2
197.12837	5.6
205.09570	0.9
214.15517	2.7
216.11250	3.8
224.13979	2.8
226.09773	1.3
226.11899	1.3
244.10750	88.4
245.11040	0.9
247.13153	1.1
263.98764	0.7
352.17218	0.7
373.19019	3.4
390.17993	1.6
391.15588	71.5
392.16122	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1565
Annotation	Chidamide
Peak:m/z	Relative Intensity
59.25165	0.5
79.92813	0.6
80.41338	0.7
80.51705	0.7
86.10126	0.6
92.10803	1.3
112.20422	0.6
149.02345	6.8
154.92430	0.6
184.01880	0.7
231.95509	0.7
255.68257	0.6
294.53979	0.7
335.15823	0.7
350.72446	0.8
391.15649	100.0
392.15784	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70967	0.4
55.09903	0.5
55.45599	0.5
56.04971	0.9
57.07012	9.5
60.11530	0.6
65.03845	0.7
65.27065	0.7
69.03345	0.6
69.06962	0.6
70.06497	2.1
71.08543	8.8
72.08065	0.8
74.05988	1.2
78.25231	0.4
84.04425	6.7
84.08061	2.4
85.02829	1.3
85.60543	0.5
86.09631	8.9
87.09921	0.6
90.64338	0.5
98.97521	0.5
102.05479	2.6
116.07077	0.6
121.02800	3.9
137.06020	0.9
146.06049	0.6
149.02313	100.0
159.79276	0.5
167.03357	5.3
230.13911	2.4
355.18442	1.3
391.15598	23.7
406.44449	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03892	0.6
55.05446	0.8
56.04969	4.2
56.96519	0.5
57.06779	0.4
57.07010	5.5
60.04451	1.1
61.01075	0.9
61.71732	0.4
65.03860	0.6
67.05423	0.5
67.32909	0.4
69.06985	4.0
70.06506	20.6
71.04896	0.7
71.08540	4.9
71.45022	0.5
72.08073	6.6
74.02335	0.7
74.05982	0.8
82.49433	0.5
83.06023	14.8
84.03945	1.0
84.04427	20.4
84.08060	11.3
86.09143	0.9
86.09628	17.5
88.03901	0.7
91.05438	0.8
93.06971	0.9
94.42762	0.5
96.04403	3.2
97.03964	1.1
97.07580	1.3
98.97559	0.6
101.07066	2.4
102.05481	3.5
104.05309	4.8
105.03331	2.4
105.06950	0.8
109.06475	0.5
110.07105	5.2
111.04380	0.7
111.05513	9.9
112.06286	14.6
112.08710	0.6
115.08640	2.1
116.07022	0.7
118.06505	0.7
119.08502	0.6
120.04395	4.5
120.08057	6.0
121.02822	2.8
123.04369	2.1
125.07061	2.1
127.03888	3.6
129.06519	7.6
129.10196	4.7
130.06471	2.7
132.04410	71.3
132.08070	1.8
133.03145	2.5
134.06003	2.1
136.07600	1.0
139.03914	3.7
139.07292	0.5
141.06570	1.0
144.08061	0.5
146.06017	1.9
149.02307	60.3
150.05838	7.0
152.10641	2.2
158.05936	4.6
159.09140	2.7
161.09541	0.7
167.03368	2.4
169.07530	0.6
169.13376	0.8
170.05952	0.8
173.07115	0.7
188.07011	2.4
196.14413	9.0
197.12761	6.8
205.09718	0.8
214.15430	3.3
216.11324	3.9
224.13928	2.1
226.09821	1.9
226.11838	0.9
227.08066	0.7
240.41115	0.5
242.14850	1.3
244.10748	100.0
245.10968	0.7
247.13191	0.9
373.18976	3.9
373.99594	0.6
390.18243	2.1
391.15604	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	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00248	0.7
53.03883	0.5
55.05446	13.0
55.84949	0.4
56.04967	6.0
56.96495	2.6
57.03371	0.4
57.07006	9.3
60.04455	2.6
61.01088	0.7
65.03851	0.6
69.03333	2.6
69.06981	2.4
70.02860	0.5
70.06507	26.5
70.06895	1.0
71.08537	8.7
72.08067	52.9
73.08408	0.7
74.05988	1.2
81.03333	0.6
83.04888	2.4
83.06026	4.7
84.04424	36.2
84.08062	16.0
85.02835	3.2
85.04720	0.5
85.06461	0.7
86.09618	15.7
87.09940	0.7
88.03930	1.3
91.05405	9.3
91.10999	0.5
92.05759	0.5
93.06993	1.1
95.04955	0.6
95.08580	0.6
97.02872	0.8
98.97521	4.4
101.07083	4.4
102.05466	3.1
103.05398	1.3
104.05243	1.1
105.06969	1.2
107.04910	2.0
110.07116	7.5
111.07420	0.5
112.07501	0.6
112.08651	0.8
116.07014	4.5
116.98586	3.9
118.06485	38.5
119.04897	1.3
120.08044	11.1
121.02847	4.8
121.08411	0.6
126.05523	0.5
129.06578	3.1
129.10184	5.9
130.04959	28.3
130.06453	0.9
131.04877	0.7
131.08470	0.6
132.10110	0.7
133.10178	1.1
134.99586	2.1
136.07573	3.9
137.05962	2.9
144.08067	0.7
146.05945	4.6
147.07619	18.1
149.02310	100.0
158.09633	0.6
161.05908	0.6
163.08687	0.7
164.07089	0.7
167.03351	7.8
167.06909	1.0
167.08139	2.5
174.05511	1.3
177.00665	1.2
177.05460	4.9
186.09108	6.1
187.08691	0.9
193.12195	0.7
195.10150	2.8
228.10237	5.8
229.07486	0.9
229.09645	1.0
230.12689	0.7
245.12718	4.9
258.14557	1.2
274.11975	0.6
275.10245	1.2
292.12769	9.2
327.09094	0.5
373.19299	0.8
391.13608	4.1
391.18781	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81626	0.5
55.05446	6.2
56.04958	2.9
56.96503	0.6
57.03376	1.0
57.06737	0.5
57.07010	11.3
60.04445	3.2
61.01053	0.5
61.02838	0.6
65.03865	1.2
67.05423	4.5
69.03340	3.6
69.06975	9.2
70.06504	16.1
71.04899	2.4
71.08538	8.7
72.08058	8.9
74.05978	0.9
79.05405	3.3
81.03324	2.9
81.06969	10.8
83.04899	2.5
83.08527	2.9
84.04433	3.2
84.08057	9.2
85.02818	7.4
85.06467	0.8
85.08372	0.6
86.09620	12.0
87.09956	1.2
88.03897	1.3
91.05392	7.3
92.05713	0.7
93.06966	9.0
95.04892	0.9
95.06008	0.6
95.08525	14.0
97.02826	1.0
97.10079	0.6
98.97481	0.9
99.08025	1.3
102.05495	0.8
103.05401	1.1
105.06968	12.0
107.04932	0.5
107.08524	12.3
109.02805	0.9
109.06455	2.6
109.10103	16.0
110.07095	5.3
111.08070	0.6
111.20642	0.6
112.07545	0.7
113.09570	0.8
114.09103	1.1
115.76527	0.5
117.06965	0.7
119.04837	0.7
119.08527	18.3
120.08034	3.8
120.08813	0.6
121.02797	4.8
121.06447	0.9
121.10081	11.1
123.08018	3.1
123.11653	8.1
125.09585	0.7
129.06989	1.2
129.10207	4.2
130.06471	2.7
130.07312	1.0
131.08492	1.3
132.08037	2.3
132.08911	0.7
133.06499	0.6
133.10088	18.1
135.11664	16.3
135.76677	0.5
136.07574	1.3
137.05957	1.2
137.09534	4.0
137.13249	0.8
144.07996	0.6
146.05962	2.8
147.08020	3.7
147.11629	2.7
148.08365	3.2
149.02304	100.0
149.13252	1.1
150.02724	0.6
151.11142	1.0
151.14767	2.6
159.09164	2.1
159.11263	3.9
161.05928	1.3
163.14740	4.7
165.09081	0.9
166.09406	0.7
167.03357	7.5
167.06972	1.3
170.05861	0.6
173.12836	0.6
175.07513	0.7
175.14767	23.7
175.16261	0.8
177.05472	1.4
187.10588	0.6
188.07056	4.3
193.08569	0.8
193.15817	10.8
205.09659	2.0
211.16890	10.1
229.17813	4.7
231.09004	0.6
268.41443	0.7
270.49588	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2323
Annotation	Turpinionoside D
Peak:m/z	Relative Intensity
53.00233	1.1
53.03882	1.8
55.01807	1.7
55.05449	21.6
56.96493	1.3
57.03360	4.3
57.06782	1.0
57.07013	22.8
59.04923	6.1
61.02861	0.9
63.32666	0.8
65.03870	1.6
67.05081	1.3
67.05424	30.7
69.03345	11.8
69.06609	1.2
69.06981	33.1
70.06504	13.1
71.04911	13.4
71.08537	9.4
72.08055	3.8
74.05966	0.9
76.55556	0.8
78.91441	1.1
79.05404	8.4
79.74039	0.9
81.03345	1.4
81.06510	2.3
81.06969	50.4
81.41439	0.9
83.04893	9.8
83.08541	12.6
84.04401	2.1
84.08064	7.4
84.46333	1.0
85.02827	16.5
85.06471	8.0
86.09624	8.8
89.68585	0.9
91.05401	12.2
93.06964	32.6
95.04871	10.4
95.08526	71.1
97.02794	2.3
97.06463	10.4
97.10069	2.3
97.72350	1.0
98.97491	1.6
99.04377	1.3
99.08015	2.3
105.06978	20.4
107.08530	41.0
109.06477	12.2
109.10099	61.7
110.07114	1.9
111.08031	8.7
111.11633	1.3
113.06022	1.0
119.08524	60.4
120.08057	2.4
121.02813	2.3
121.10090	13.8
123.08014	15.1
123.11656	45.3
125.09566	10.0
129.10201	1.6
130.06470	9.3
133.02911	1.6
133.10098	28.0
135.11647	45.5
136.07520	1.4
137.09581	22.4
139.11166	1.3
147.11630	7.2
149.02307	100.0
149.13231	13.4
151.11157	4.7
151.14841	8.7
153.12723	2.6
155.10588	2.2
157.07570	20.1
161.05977	1.7
163.14812	1.7
165.16284	1.7
167.03349	6.1
175.14777	54.1
176.15242	1.0
185.07066	1.9
193.15826	50.9
211.16884	75.1
212.17155	1.5
214.09636	1.6
224.09595	1.2
229.17923	5.5
237.02744	1.6
256.86444	1.1
332.45700	1.1
373.18481	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82496	0.7
54.19632	0.7
55.05452	1.2
56.96484	0.9
57.07009	10.1
60.89741	0.7
62.13837	0.7
69.06956	0.9
71.08552	8.7
78.65015	0.8
81.06992	1.2
84.35880	0.8
93.06979	1.4
95.08513	1.5
97.10046	1.1
98.98386	4.0
108.88882	0.9
121.02797	4.8
141.11058	0.8
149.02316	100.0
155.00999	1.7
156.12520	0.9
167.03366	4.9
197.19109	0.9
211.14104	0.9
259.04730	1.0
351.18384	1.8
369.19330	4.8
384.54163	0.9
390.35925	1.4
391.24463	96.5
392.24918	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47279	0.5
55.05441	3.7
57.03373	0.7
57.07007	12.4
65.03857	0.9
67.05428	4.4
69.06985	2.5
69.78944	0.5
70.06506	0.6
71.08536	8.6
79.05422	0.9
81.06976	4.7
83.08530	3.3
93.06969	2.4
93.53539	0.6
95.08529	3.2
98.98397	10.7
102.87962	0.5
107.08531	0.9
109.41529	0.5
121.02831	4.5
121.10106	2.4
132.10208	0.7
135.11638	1.2
149.02309	100.0
150.02626	0.7
155.01001	7.2
167.03365	7.6
172.95200	2.4
190.96205	1.1
204.76869	0.7
237.22058	0.7
353.40671	0.6
390.36023	1.1
391.16101	2.1
391.24454	82.5
392.24817	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	391.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	1.1
56.96483	0.9
57.07008	9.2
62.30316	1.0
62.48647	0.8
65.03845	1.0
66.87456	0.7
67.05411	0.8
68.02559	0.7
70.67139	0.7
71.08543	6.0
81.06959	1.0
95.08507	1.1
98.98400	4.5
105.27091	0.8
110.04751	0.8
121.02798	1.6
149.02307	81.0
155.01027	3.4
167.03394	5.8
177.85690	0.8
201.95100	1.1
275.69888	1.0
315.73917	0.9
351.18396	3.9
369.19565	4.9
391.24451	100.0
392.24765	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	391.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70350	0.3
52.97811	0.3
54.81223	0.4
55.05446	3.6
55.48864	0.3
56.96487	0.7
57.06741	0.4
57.07008	11.6
65.03856	0.7
67.05417	2.7
69.06975	2.0
71.08544	8.9
73.92355	0.4
79.05379	2.5
81.06970	5.0
82.06496	0.7
83.04920	0.4
83.08530	2.6
91.05379	2.0
91.65742	0.4
92.57150	0.4
93.06955	3.1
95.08524	2.8
98.74590	0.4
105.06970	1.8
107.08530	3.1
109.06451	3.4
109.10088	2.3
114.36275	0.4
117.06939	0.7
119.08501	2.3
121.02817	4.7
121.06448	1.8
121.10062	2.2
123.07993	0.5
131.08505	0.8
133.10091	0.9
135.11646	1.0
140.88396	0.5
145.10123	0.5
147.11673	0.7
149.02310	100.0
149.13263	0.6
150.02649	1.9
159.11656	1.8
161.13216	0.5
163.11153	0.6
165.12703	0.7
167.03383	6.3
177.12679	2.8
229.19542	1.0
247.20538	2.2
264.23151	14.7
265.23520	0.6
328.81369	0.4
342.93378	0.4
373.28348	7.9
391.29471	15.9
392.29807	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	2.6
54.13366	2.0
55.05453	23.9
57.07004	12.1
58.31938	2.0
64.02741	2.0
67.05424	41.5
68.84718	2.0
69.06982	16.7
71.08549	10.9
79.05401	32.9
81.06994	30.9
81.91744	1.9
83.04885	10.9
83.08533	10.0
84.65752	2.1
91.05419	21.7
93.06971	40.3
95.04888	12.0
95.08537	23.4
97.06491	17.9
97.10080	2.9
98.14260	2.2
105.06976	11.9
107.08549	19.6
109.10118	5.0
109.87375	1.9
111.07944	2.6
117.07000	3.6
119.08533	8.3
121.02833	8.6
121.10088	20.1
131.08516	4.3
133.10104	5.2
135.11664	10.2
147.11685	2.5
149.02321	100.0
149.13261	3.5
151.10976	2.7
167.03401	9.2
234.84706	2.4
244.84648	2.3
280.26196	2.4
355.30038	8.8
373.30853	19.1
391.15509	2.6
391.33426	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	392.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81721	0.2
55.01814	3.5
55.05455	0.3
56.04969	0.8
56.96489	0.3
57.03376	0.4
57.07011	1.6
60.04444	0.4
61.01073	0.5
61.02850	0.5
65.03864	0.2
69.03355	2.1
70.06510	3.4
70.35420	0.2
71.04887	0.3
71.08541	2.1
72.08073	2.4
73.02810	0.9
74.05975	0.3
81.03339	1.2
81.08557	0.2
83.05988	0.2
84.04420	1.8
84.08067	2.4
85.02826	6.1
86.09619	2.0
91.03864	0.3
91.05369	0.3
93.03306	0.3
94.86698	0.2
97.02805	1.9
97.06455	0.4
98.97517	2.2
99.04404	0.3
102.05516	0.2
104.05260	0.5
107.04911	0.9
109.02818	0.9
110.07127	1.1
116.98536	2.0
119.04922	0.2
121.02813	1.1
121.03892	0.2
123.04361	0.5
125.05961	2.4
127.03876	1.1
129.10176	0.9
132.08948	0.2
134.99641	1.3
135.04347	0.4
136.07695	0.2
137.05971	0.3
138.03065	1.0
141.05508	0.3
145.04941	0.4
147.04378	0.2
149.02322	19.7
150.02664	2.8
151.03883	1.4
153.05440	100.0
154.05725	1.8
158.99663	0.3
163.03854	1.0
166.09772	0.3
167.03317	1.3
167.07014	1.1
172.11522	0.3
177.00648	1.0
195.06490	15.7
196.06863	0.3
197.83809	0.2
201.84990	0.2
207.05406	0.3
213.07536	14.4
217.13722	0.5
227.17365	0.3
230.13884	0.5
245.12923	0.3
256.17920	0.2
303.08655	0.8
351.09576	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02315	0.3
51.18602	0.3
53.00222	0.4
53.03878	0.5
54.81700	0.3
55.01805	0.8
55.05442	1.9
56.04766	0.3
56.04975	4.7
56.96499	0.7
57.03370	1.3
57.07013	2.7
60.04452	0.6
61.01066	1.8
61.02837	1.8
67.05414	0.4
69.03336	2.4
69.06991	0.6
70.06506	14.8
71.04903	0.5
71.08555	2.5
72.08073	11.7
73.23179	0.3
74.05994	0.5
79.05408	4.3
81.03325	2.3
81.06934	0.4
83.06030	0.6
84.04435	5.6
84.08068	8.0
85.02831	10.3
86.09636	6.4
87.04404	0.6
91.05400	4.2
95.04903	3.2
96.83468	0.4
97.02811	1.9
98.97497	1.5
102.05460	2.5
103.05402	7.1
104.05257	1.9
105.06971	6.1
107.04899	57.3
107.08540	1.4
108.92249	0.4
109.02842	0.9
109.06448	0.4
110.07079	2.3
115.05390	3.6
116.07037	3.0
116.98568	1.4
117.06966	1.8
119.01617	0.6
119.04930	0.4
119.08483	0.4
120.05669	1.8
120.08071	6.5
121.02796	0.8
121.06467	0.6
122.05956	0.5
122.06799	0.4
123.04374	1.6
124.05183	1.4
125.06000	1.2
127.03873	1.4
129.10222	3.3
130.04984	0.4
131.04893	3.2
132.10143	1.5
133.06432	0.7
134.99706	0.5
135.08018	18.0
136.07523	2.8
137.05972	0.7
140.04678	1.7
141.05486	0.6
143.11816	0.6
145.04959	0.7
145.07573	0.8
147.04440	0.7
149.02316	23.6
149.05928	0.4
150.02660	3.3
151.03912	0.4
152.04593	0.4
152.69205	0.3
154.06226	5.7
155.07048	0.8
161.05969	1.6
163.07516	28.0
164.08147	0.6
165.05420	0.6
167.06992	40.2
167.08109	2.7
169.04936	2.3
173.25583	0.4
177.00652	0.5
180.07704	5.6
185.09184	1.6
187.32047	0.4
195.10135	100.0
196.10493	1.5
198.08728	0.6
213.09160	0.6
213.11168	11.6
233.09451	0.5
392.12900	0.4
415.08911	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24725	0.5
51.05632	0.6
52.35430	0.4
53.03880	1.1
55.01807	0.6
55.05456	4.1
56.04969	3.4
57.03381	1.1
57.07013	5.1
58.07330	0.6
60.04444	0.9
61.01071	1.3
61.02851	1.4
65.03855	0.6
65.62679	0.5
67.05422	0.5
69.03361	4.5
69.06980	3.6
70.02860	0.7
70.06510	43.8
71.04899	1.4
71.08559	5.8
72.08070	16.0
73.02803	0.6
74.05994	0.9
78.90339	0.6
79.05408	5.4
81.03331	1.4
81.06994	0.9
83.06029	0.9
84.04435	10.1
84.08066	13.6
85.02829	12.7
86.09628	26.4
87.05502	0.6
87.09980	0.9
88.03896	0.7
91.05387	4.1
92.65164	0.7
93.06956	0.7
93.50420	0.6
95.04913	1.1
97.02831	4.9
99.04392	2.5
100.02187	0.9
102.05478	3.2
103.03875	1.1
103.05386	6.0
104.05260	2.8
105.06989	4.4
107.04897	48.9
107.08530	1.2
109.02823	1.3
110.05993	0.6
110.07110	6.2
112.08656	1.1
115.05462	1.6
116.07035	3.5
117.06945	0.8
119.04932	1.3
120.05646	0.9
120.08067	6.5
121.02825	3.6
121.06490	0.8
123.04363	3.2
124.05180	1.1
127.03884	4.2
129.10211	7.3
130.04951	0.8
131.04903	2.7
131.44859	0.7
132.10129	0.6
135.08015	15.8
136.07530	6.1
137.05971	1.0
141.10175	1.0
145.04965	0.8
149.02318	56.9
150.02675	10.0
150.05835	3.5
152.04649	1.0
154.06238	1.0
163.07509	32.0
166.08522	0.8
167.03363	2.6
167.07001	100.0
180.07814	3.7
181.08453	0.7
181.46521	0.6
181.70105	0.6
195.10135	24.3
195.11923	0.9
213.11185	52.5
215.13844	2.9
217.13451	0.8
243.13368	1.1
261.08951	1.1
392.18179	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00233	0.6
53.03874	0.6
55.01801	1.0
55.05438	1.0
56.04764	0.4
56.04973	8.4
57.03364	1.1
57.07019	4.5
57.21054	0.4
59.04934	0.5
59.56682	0.4
60.04448	2.7
61.01069	1.9
61.02848	0.9
65.03867	0.6
69.03357	4.3
69.06981	2.4
70.06509	31.8
71.04903	0.9
71.08546	3.7
72.08058	6.0
73.02847	0.5
74.05981	1.1
79.05402	4.5
81.03330	0.9
81.06969	1.0
83.06027	0.9
84.04423	22.8
84.08066	20.1
85.02340	0.8
85.02827	14.4
85.08408	0.8
86.09624	46.0
87.04400	0.9
88.03922	1.1
91.03942	0.5
91.05383	4.4
93.06950	1.0
95.04883	3.6
95.05981	0.5
95.08519	0.7
96.04420	0.6
97.02840	3.8
99.04389	0.6
102.05478	9.3
103.05402	5.5
104.05268	6.0
105.06981	7.4
106.07282	0.4
107.04898	62.3
107.08516	2.4
108.05197	0.5
109.02829	1.0
109.06458	0.7
110.07109	9.0
111.04381	0.7
113.07056	0.6
115.05409	4.5
116.06219	0.7
116.07006	5.3
117.06955	1.9
119.04892	1.0
120.05670	0.9
120.08052	5.3
121.02849	2.1
121.06422	0.8
121.08395	0.5
122.03600	0.8
124.05145	0.7
125.05920	2.5
126.05516	0.5
127.03865	1.9
127.08610	0.9
129.06549	1.7
129.10219	8.6
130.04959	1.9
130.06483	0.6
131.04961	0.8
131.08514	0.7
132.08049	0.6
132.10144	0.6
133.03157	4.0
133.10088	0.9
135.08026	20.1
136.07559	5.0
137.05952	20.6
139.03864	0.8
141.06567	1.7
141.10185	0.6
145.06496	0.6
145.07558	0.7
146.05989	0.5
147.04398	0.7
147.11592	0.5
149.02316	41.3
150.02625	7.0
150.05797	8.7
151.07530	0.6
152.10715	0.7
153.05388	2.2
154.06207	8.4
155.08128	0.6
159.07735	0.5
159.09116	0.6
163.07512	30.9
164.08136	0.5
165.05499	0.6
167.03357	2.4
167.06992	32.1
170.11732	2.2
174.88887	0.5
180.07681	5.1
183.14900	0.7
184.07237	0.5
195.10129	100.0
195.13838	2.1
196.10446	2.0
197.12822	3.6
198.08786	0.7
198.41037	0.5
213.09137	0.7
213.11183	17.4
213.13141	0.9
215.13878	8.0
225.12288	1.0
230.07849	1.0
231.02502	0.8
243.13321	3.4
263.14169	0.6
368.23410	0.5
383.74460	1.0
392.13171	3.1
393.07703	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	392.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96499	10.4
57.06813	0.8
57.07010	13.1
58.07344	1.0
60.78030	0.9
65.03892	1.2
71.08541	8.0
71.95165	2.6
81.06969	1.0
83.08519	1.2
98.98396	1.5
101.16138	1.1
108.30067	1.0
111.76353	1.0
116.98573	1.2
121.02814	5.8
126.98708	1.1
128.98531	5.5
132.10249	1.1
139.92336	1.1
143.00243	1.3
146.99606	11.1
148.00377	1.5
149.02313	100.0
150.02661	20.6
155.00899	1.3
161.01218	5.0
165.00613	1.4
167.03394	6.6
179.02272	1.9
179.99408	1.6
184.03969	1.1
189.04297	4.2
199.06314	1.2
201.00490	1.6
203.05882	4.6
215.02284	8.3
217.07486	6.7
219.08850	1.3
229.07390	2.6
231.08925	1.4
239.05931	2.3
245.06900	2.3
247.08443	6.8
257.06885	10.4
258.07675	12.7
275.07898	4.8
276.06161	1.2
276.08762	10.1
309.17239	2.0
333.17377	11.6
340.40488	1.1
351.18427	18.5
369.19382	40.2
370.19812	1.5
387.20337	7.3
392.20480	1.6
392.24985	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96499	10.4
57.06813	0.8
57.07010	13.1
58.07344	1.0
60.78030	0.9
65.03892	1.2
71.08541	8.0
71.95165	2.6
81.06969	1.0
83.08519	1.2
98.98396	1.5
101.16138	1.1
108.30067	1.0
111.76353	1.0
116.98573	1.2
121.02814	5.8
126.98708	1.1
128.98531	5.5
132.10249	1.1
139.92336	1.1
143.00243	1.3
146.99606	11.1
148.00377	1.5
149.02313	100.0
150.02661	20.6
155.00899	1.3
161.01218	5.0
165.00613	1.4
167.03394	6.6
179.02272	1.9
179.99408	1.6
184.03969	1.1
189.04297	4.2
199.06314	1.2
201.00490	1.6
203.05882	4.6
215.02284	8.3
217.07486	6.7
219.08850	1.3
229.07390	2.6
231.08925	1.4
239.05931	2.3
245.06900	2.3
247.08443	6.8
257.06885	10.4
258.07675	12.7
275.07898	4.8
276.06161	1.2
276.08762	10.1
309.17239	2.0
333.17377	11.6
340.40488	1.1
351.18427	18.5
369.19382	40.2
370.19812	1.5
387.20337	7.3
392.20480	1.6
392.24985	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	1.3
55.01802	2.0
55.05439	5.9
57.03359	4.9
57.06767	1.2
57.07008	21.7
59.04941	0.9
60.04459	1.2
61.02861	8.5
67.05420	7.3
69.03347	13.3
69.06982	20.4
70.06503	4.9
71.04899	1.8
71.08543	7.1
79.05404	54.9
79.05862	2.0
81.03338	5.0
81.06963	11.0
83.04890	16.6
84.04422	1.9
84.08071	2.2
85.02827	51.4
86.09619	13.7
91.05385	9.3
93.06968	66.6
95.04920	1.9
95.08556	6.9
97.02798	14.3
97.06443	8.5
98.97555	1.8
99.04361	2.2
103.05388	1.3
105.06950	5.3
107.04899	7.5
107.08532	22.2
109.02807	4.3
109.06474	1.7
109.10107	1.6
111.08057	1.0
111.11655	1.0
113.14063	1.1
116.98542	1.7
118.04032	1.1
119.08541	1.9
120.08040	4.8
121.02830	1.5
121.06458	1.9
121.10065	4.6
125.05941	22.7
127.03888	7.3
131.04874	1.4
131.08521	1.8
132.38936	1.0
133.10103	10.6
135.11658	100.0
136.12009	1.1
137.05963	4.3
139.07518	12.7
139.11115	2.3
145.04912	2.4
149.02307	85.5
149.13246	10.4
150.02647	19.0
153.05373	1.1
153.12723	6.6
158.59706	1.0
159.11687	3.3
167.03352	4.4
177.12683	13.0
195.13756	53.8
195.17416	2.0
229.26407	1.0
239.54518	1.1
260.10101	1.0
344.99487	0.9
392.23001	2.1
415.13165	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59671	0.5
53.00246	0.9
53.03878	0.6
55.01810	0.7
55.05187	0.6
55.05446	16.0
56.96495	1.2
57.03356	2.6
57.07012	15.0
57.80408	0.5
60.04479	0.6
61.02863	2.1
65.45808	0.5
67.05408	2.6
67.53172	0.6
69.03342	6.0
69.06984	100.0
70.07303	0.6
71.04900	1.0
71.08523	2.5
73.02815	0.8
79.05415	2.1
81.03338	0.9
81.06966	10.3
83.04886	3.3
83.08523	5.8
84.08054	1.0
85.02825	15.2
85.06465	1.3
86.09131	0.8
86.09615	10.1
91.05387	1.4
93.06969	7.7
95.08528	14.0
95.86423	0.6
97.02805	3.8
97.06455	5.2
97.10108	15.3
98.97488	1.4
99.11651	3.5
107.08540	8.7
109.02801	1.3
109.10095	3.7
110.07202	0.6
111.08022	6.0
111.11660	26.0
114.38037	0.5
115.05376	0.6
116.98576	3.1
119.04897	1.1
120.08044	3.1
121.02756	1.1
121.10079	15.1
121.73478	0.7
122.69362	0.6
123.11693	1.3
125.09596	6.5
127.03857	2.7
135.11665	7.8
137.05930	1.1
137.13217	7.6
139.10114	1.2
139.11145	25.3
145.04936	1.0
149.02301	18.4
150.02641	7.1
151.07423	0.8
151.14803	0.8
155.14214	0.6
167.03342	1.4
167.06960	0.8
177.00633	0.6
177.16351	20.3
179.07004	0.6
189.17366	0.6
195.17392	30.2
199.17874	0.5
213.18460	31.6
222.64026	0.6
227.17514	0.6
240.97783	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	10.7
57.03136	1.9
57.03373	31.5
57.07014	55.3
60.46843	2.0
62.27606	1.6
65.74034	1.8
67.05408	9.8
67.38938	1.6
69.06981	10.7
71.08543	35.6
74.79759	1.7
75.04382	1.9
81.06970	15.4
83.08541	7.3
85.10115	14.2
90.31670	1.7
95.08554	17.5
97.10078	2.2
101.05948	8.4
109.10085	11.3
121.02715	2.2
144.11296	2.0
147.09274	2.0
149.02309	45.0
150.02641	16.3
169.95633	2.1
223.30994	2.2
239.23607	2.9
262.90784	2.2
283.26273	100.0
283.99414	2.1
284.26834	4.4
313.27234	31.5
357.29895	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71329	1.4
54.82017	1.8
55.01810	2.1
55.05441	7.0
56.04966	15.8
57.03362	2.9
57.06992	3.9
60.04453	13.0
61.01069	3.3
61.02831	2.1
65.03876	1.6
67.05415	2.0
69.03336	10.8
69.06988	11.5
70.06505	85.0
71.04904	1.8
71.06825	6.1
71.08546	2.8
72.08072	25.6
74.05972	6.1
76.56665	1.5
79.05418	3.7
80.04856	1.4
81.04445	1.7
81.06966	2.4
83.06017	8.0
84.04419	72.9
84.08064	50.8
85.02824	23.9
85.04752	3.4
86.09624	100.0
87.05511	2.8
87.09943	7.4
88.03881	3.3
91.05397	10.3
93.06958	3.6
95.04861	3.7
95.08500	2.3
97.02800	7.3
98.05983	2.3
98.09619	6.7
99.10802	1.5
101.05909	2.0
101.07103	1.7
102.05464	28.1
103.05404	11.0
104.05238	16.2
105.06964	9.7
107.04884	50.7
107.08521	6.4
108.05215	7.1
109.06505	2.3
110.07112	42.6
112.08632	1.9
113.07060	2.9
114.64325	1.7
115.08662	3.0
116.07038	12.4
116.98544	2.3
119.04896	3.3
120.08047	44.4
121.08414	2.2
121.10094	2.1
122.03551	2.2
129.06488	3.6
129.10178	26.1
130.04953	7.5
131.04851	1.8
131.08141	2.5
133.03188	6.1
134.99608	2.0
135.08000	18.8
136.07545	9.0
137.05948	43.6
138.06311	3.7
141.06635	2.1
143.11731	6.3
147.07544	1.6
149.02313	33.0
150.02637	21.8
150.05806	14.4
151.07486	1.6
154.06236	6.6
155.08144	2.3
161.55464	1.6
163.07509	23.3
164.07906	2.8
167.06982	28.5
168.07281	3.1
170.87378	2.0
180.07748	3.3
185.04166	2.2
195.10112	75.7
196.10486	20.4
197.12799	7.2
213.11194	12.1
214.11397	2.7
215.13765	11.8
225.09752	2.1
225.12506	1.9
230.07530	1.9
231.02570	39.8
235.46608	1.7
243.85580	1.6
393.07797	81.8
393.12350	3.1
393.24994	3.1
394.08075	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1149
Annotation	SB 242084
Peak:m/z	Relative Intensity
54.81845	5.9
61.11473	4.5
67.01309	4.6
69.21250	4.2
79.64870	4.7
83.74903	6.4
92.10287	23.1
92.10884	16.7
103.62725	5.6
163.36281	7.8
186.38962	5.6
260.78625	5.3
284.33505	5.8
314.33133	5.4
393.11539	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04957	6.8
58.99514	18.3
60.04440	2.0
63.43214	1.4
63.69197	1.2
70.02862	17.4
70.06497	5.6
70.25859	1.2
74.00570	6.0
74.02326	2.3
76.02142	11.2
76.03909	9.1
79.03672	1.2
83.06011	5.2
84.04427	66.0
85.03938	5.9
86.09634	2.2
86.98977	8.9
88.02131	3.1
88.03916	2.8
99.05518	13.7
101.01657	34.7
102.16030	1.4
107.06001	10.4
108.04370	1.9
111.09137	1.9
112.05295	1.5
116.01628	69.5
116.03409	1.8
117.01940	1.6
118.06511	2.1
120.08124	1.7
125.07077	1.7
128.05260	39.7
130.04964	19.3
135.05504	1.7
136.03864	3.0
142.03192	6.7
143.06337	6.2
144.01106	18.0
145.06021	20.5
146.05986	10.4
149.02299	8.5
150.02679	3.6
153.06560	27.7
161.07387	2.8
162.02190	27.7
170.02692	1.6
177.03249	3.0
179.05000	1.4
181.05937	2.1
185.03700	1.8
185.07417	2.3
187.05336	5.7
188.07022	13.1
189.06888	2.9
199.07085	19.6
231.07927	100.0
231.10245	3.3
233.05916	2.4
285.08875	1.9
303.23154	1.6
318.11087	5.9
319.70703	1.6
393.14334	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	393.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04966	8.0
56.96502	2.2
57.07013	1.9
58.99507	17.3
60.04450	2.8
61.01071	1.3
62.00584	1.7
65.09658	1.3
69.03345	3.3
70.02872	17.0
70.06516	11.3
71.04901	1.5
71.41847	1.4
72.08052	2.4
72.32484	1.6
73.01037	1.9
74.00569	3.5
74.02363	2.3
76.02131	13.2
76.03905	9.8
80.04915	1.5
81.03344	2.3
83.05995	1.8
84.04427	67.3
84.08059	2.1
84.63116	1.4
85.02831	12.3
85.03950	6.7
86.09592	1.6
86.98979	9.9
88.02136	1.8
88.03900	2.1
93.92670	1.6
97.02819	8.9
98.05930	1.5
98.97486	1.9
99.05510	13.1
99.79087	1.5
101.01659	28.9
102.00096	1.8
107.06009	8.6
108.04405	2.3
114.39926	1.5
116.01630	57.3
116.03407	2.6
116.98544	6.5
120.08069	1.8
125.07076	2.9
128.05249	30.4
130.04999	15.3
130.06506	1.8
136.03897	1.6
136.07541	10.2
142.03175	2.5
143.06326	5.7
144.01118	19.1
145.06044	18.7
146.05937	2.6
146.97418	1.4
146.99667	2.6
149.02319	23.4
150.02605	11.4
153.05423	2.3
153.06552	22.4
159.09158	2.0
161.07439	2.8
162.02176	31.2
170.02736	2.2
171.07545	1.8
177.03218	6.1
179.04742	2.1
181.06107	1.9
185.03729	1.8
185.07443	1.6
189.00696	1.8
189.06927	3.1
199.07101	18.4
219.01709	1.9
231.07921	100.0
231.10234	3.4
233.05946	1.5
237.02834	1.8
318.11063	2.3
359.40872	1.5
365.99249	1.6
383.99863	1.7
393.11392	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	393.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22385	0.2
53.03860	0.3
55.01780	0.3
55.05415	1.9
55.37622	0.3
56.04955	0.5
57.06972	0.5
60.04438	0.5
60.77124	0.3
67.05389	1.4
68.04906	2.0
69.03321	0.4
69.06989	2.2
69.07276	0.3
70.06505	8.7
71.04887	0.6
72.08067	4.8
73.02769	0.3
74.05986	0.5
79.05380	1.2
81.03315	0.3
81.06969	4.0
83.04899	0.3
83.08521	1.2
84.04430	2.5
84.08075	5.2
85.02793	1.3
85.06436	0.5
86.09625	5.9
87.09943	0.5
88.03873	0.6
91.05363	1.7
93.06980	2.7
95.04849	1.4
95.08521	4.9
96.06717	0.3
97.02778	0.3
97.10101	0.4
100.07539	0.4
103.05391	0.4
105.06937	1.5
107.04868	0.7
107.08530	3.1
109.06423	2.0
109.10118	2.1
110.07114	2.7
112.08688	0.4
115.05363	1.2
115.08612	0.4
116.06999	0.4
117.06947	0.3
119.08515	0.4
120.08053	6.5
121.10094	4.0
122.03559	0.6
123.11637	0.6
124.05002	0.4
125.05858	0.4
129.10208	2.6
130.04941	0.6
130.06528	0.4
133.06177	0.3
133.10104	0.4
134.88173	0.3
135.07982	0.3
135.11627	1.5
136.07500	1.3
137.05011	0.5
137.05946	8.5
137.13185	0.3
139.08704	0.3
140.03392	0.4
142.06499	1.1
143.04820	0.4
149.02289	2.5
149.04544	0.5
149.13268	0.4
150.02617	1.5
151.03845	1.2
151.07516	0.3
153.12642	0.3
158.05994	0.3
161.05969	0.4
161.56630	0.3
163.07410	0.3
166.07210	0.7
170.05965	20.7
170.07434	0.7
171.06348	0.4
177.16310	3.4
179.08508	0.3
189.06285	0.4
189.10156	0.4
195.10092	0.5
195.17331	0.7
201.06375	2.1
202.07140	3.2
203.07959	2.5
204.08769	6.5
213.12842	0.3
215.07988	3.2
216.08762	100.0
217.09573	3.3
218.10316	6.9
225.06403	11.8
226.07182	4.4
227.08011	1.8
228.08708	1.3
229.09538	1.2
230.10324	10.0
231.19608	0.5
240.08742	61.8
241.09425	2.6
242.10374	0.6
246.09776	6.3
251.20927	0.3
255.09929	0.4
258.09805	2.0
268.08218	4.6
272.11288	3.3
283.09335	1.4
285.10956	0.4
291.13715	0.3
300.10846	32.4
301.11285	0.4
309.11212	0.4
315.12061	0.5
333.13058	1.3
343.11554	0.5
353.43137	0.3
361.12326	2.5
375.14127	3.5
393.15103	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	393.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75253	0.5
53.33574	0.5
54.81730	0.5
55.00182	0.5
55.01803	0.9
55.05450	7.8
56.04968	1.0
56.40948	0.5
56.96488	0.9
57.03371	1.5
57.07005	5.1
58.02890	4.3
60.04444	0.9
61.02861	0.5
61.29591	0.5
67.05408	1.4
69.03347	4.3
69.06982	4.1
70.06515	7.4
71.04898	1.1
72.04419	0.8
72.08069	61.2
73.02820	0.6
79.05388	1.3
79.74036	0.6
81.03345	1.4
81.06983	1.3
82.06474	1.2
83.04887	0.7
84.04406	2.8
84.08061	12.2
85.02831	10.9
86.09625	61.5
87.05502	1.1
88.03912	0.7
91.05398	0.8
93.06973	3.1
94.06493	1.2
95.08517	3.3
96.04361	0.9
96.08048	4.7
97.02840	3.4
98.02359	1.1
98.97517	0.8
103.05421	0.8
105.06964	1.0
107.08544	1.5
109.10097	1.1
110.05961	1.0
110.07109	3.0
114.09118	100.0
116.98566	1.2
120.08059	7.7
121.10136	1.0
127.03897	0.9
128.10646	3.0
129.10178	1.5
131.04845	0.8
132.10173	2.3
134.99559	0.6
137.05957	3.4
141.10196	2.8
149.02338	5.6
150.02655	3.8
150.09143	5.6
155.11758	1.4
156.06488	1.1
158.71408	0.6
161.07249	0.7
164.52036	0.6
167.07013	0.8
174.11235	3.6
180.10223	0.7
195.17462	0.9
198.11247	1.3
200.13893	4.1
201.73775	0.6
216.12311	5.1
222.99425	0.8
227.17503	1.5
228.13318	0.8
231.17039	8.9
255.16937	1.2
273.18018	37.2
309.18115	6.3
357.20013	1.0
372.74374	0.7
393.22092	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06812	0.4
53.03879	0.6
53.23060	0.4
55.01797	0.8
55.05448	6.1
56.04959	2.3
56.49912	0.4
56.96500	0.5
57.03359	2.3
57.07000	3.3
57.07244	0.5
58.02877	2.8
58.06530	1.0
60.04449	3.9
61.02841	2.0
63.23538	0.4
67.05412	2.6
67.38760	0.5
68.04927	0.8
69.03345	6.1
69.06985	9.9
70.02860	0.8
70.06137	0.7
70.06503	14.5
71.04893	2.9
71.08546	0.9
72.04425	9.1
72.08064	33.8
73.52914	0.5
74.05959	0.5
74.28735	0.4
78.32192	0.4
79.05389	2.2
81.03324	3.6
81.06965	7.0
82.06494	0.5
83.04884	2.0
84.04425	4.8
84.08065	12.6
85.02824	13.1
85.06435	1.6
86.05972	2.6
86.09622	73.3
87.09947	0.8
88.03898	1.1
91.05369	2.1
93.06952	3.9
94.06495	0.7
95.04864	0.6
95.08514	3.8
95.23689	0.5
96.04402	2.8
96.08056	2.3
97.02811	4.6
97.06463	0.6
97.10060	0.6
98.09626	4.4
98.97511	0.5
99.04363	2.1
100.11177	8.0
102.05477	0.8
105.06966	2.9
107.04910	0.6
107.08540	4.1
108.04436	0.7
109.02811	1.1
109.06440	1.0
109.10144	3.5
110.06001	0.6
110.07115	4.5
110.09626	2.8
111.04384	0.5
111.08056	0.6
112.03873	0.5
113.07083	0.9
114.09116	51.4
116.07036	0.6
116.17184	0.5
117.06964	0.7
118.06483	3.5
118.08569	2.3
119.08543	1.0
120.08070	6.5
121.10110	4.1
123.11660	1.2
126.05473	0.6
127.03895	1.0
128.10667	100.0
129.05441	0.9
129.10199	3.6
129.11043	0.7
130.06439	0.6
130.08641	0.6
131.04878	0.6
132.08038	1.1
132.10141	2.7
133.10088	0.6
135.08069	0.7
135.11671	1.8
136.07574	0.7
138.05429	0.7
138.09096	0.7
139.11165	0.7
141.10237	0.6
144.08058	1.2
146.05989	5.8
149.02286	5.9
150.02678	4.0
150.09055	3.8
151.02728	0.5
152.10689	0.5
156.06522	1.9
157.07945	0.5
159.09116	0.8
160.09645	1.2
164.10561	3.4
173.42482	0.7
174.11288	0.7
177.16328	1.2
180.10182	0.8
185.16417	0.7
188.07025	4.7
194.11714	0.6
195.17395	1.2
197.81331	0.6
212.12820	2.2
216.12334	2.2
227.17551	3.9
230.13841	5.9
231.05348	3.1
231.16959	12.1
249.06401	2.4
255.16806	1.6
273.06250	0.6
273.18002	47.4
274.18497	1.0
298.82965	0.5
309.17984	9.2
339.19107	0.7
357.20108	2.6
375.21045	1.2
393.22171	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	9.3
57.03358	8.3
57.06736	2.5
57.07010	62.2
60.96846	1.1
65.26498	1.2
67.05419	20.2
69.06990	9.2
71.08180	2.3
71.08545	39.2
81.06974	20.5
83.08529	9.2
85.10103	16.0
95.08522	24.8
97.10107	2.5
98.98394	100.0
99.11658	1.5
109.10114	10.4
116.99430	2.7
123.11645	2.8
149.54887	1.2
155.01003	81.4
239.23593	5.7
275.09476	1.6
393.26077	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53518	0.4
53.03870	0.8
55.01811	0.8
55.05193	0.7
55.05451	17.5
57.03367	2.5
57.07014	12.7
61.02842	0.9
62.77166	0.5
67.05428	13.5
69.03337	3.5
69.06988	28.0
70.06496	0.7
71.04903	4.3
71.08524	0.8
72.08057	0.9
79.05408	15.3
81.03345	0.8
81.06975	54.1
83.04900	0.8
83.08540	20.3
84.08059	0.9
85.02832	10.6
85.05986	0.8
85.06464	14.0
85.10088	0.7
86.09619	3.4
91.05407	6.3
93.06970	41.5
95.04892	1.1
95.08531	83.0
97.02828	2.2
97.06454	2.1
97.10101	12.4
99.08018	7.5
99.11637	0.5
105.06984	4.1
107.08537	66.5
108.08858	0.9
109.02764	0.9
109.10105	41.3
111.08015	4.3
111.11668	5.2
113.09569	1.2
119.08498	0.8
120.08038	1.2
121.10094	80.3
122.10441	1.0
123.07959	0.7
123.11659	10.4
125.09582	2.5
127.03893	0.9
133.27856	0.5
135.11662	21.8
137.13220	10.9
139.11125	5.8
149.13217	7.9
151.14804	3.1
164.34192	0.5
165.16362	9.0
170.31314	0.6
177.16347	100.0
178.16719	2.3
183.15016	0.5
183.17413	5.8
195.17403	48.1
196.14259	0.5
196.17773	1.3
213.18462	15.6
231.19502	43.4
329.44495	0.6
332.62152	0.7
377.10388	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86287	0.5
53.00241	0.6
53.03876	1.3
53.12123	0.5
55.01804	1.2
55.05185	0.8
55.05447	19.7
56.04958	0.8
57.03360	3.4
57.07006	9.9
59.04919	0.7
61.02844	1.1
67.05421	14.9
69.03351	5.0
69.06982	30.7
70.06509	6.6
70.55907	0.5
71.04910	5.7
71.08535	2.3
72.08063	2.6
79.05403	18.2
81.03316	1.2
81.06969	50.8
82.07314	0.5
83.04893	1.2
83.08531	21.7
84.04404	1.2
84.08055	5.6
85.02818	12.8
85.06459	14.4
85.10090	0.6
86.09606	4.8
91.05411	5.5
93.06965	39.2
95.04887	2.8
95.08527	87.6
96.08830	0.8
97.02808	2.6
97.06435	2.7
97.10105	12.4
99.04366	1.0
99.08015	8.0
103.05385	1.1
105.06985	4.3
107.04890	1.3
107.08530	71.6
108.08841	0.7
109.02851	0.7
109.06436	2.2
109.10102	43.9
110.07110	1.3
111.08022	4.3
111.11697	4.6
113.09612	0.8
119.08473	1.1
120.08041	3.3
121.10091	78.8
122.10398	1.2
123.11644	14.1
125.09553	2.6
127.03835	0.7
129.10197	2.4
130.06461	1.3
135.11650	20.2
137.05919	0.8
137.13226	10.0
139.11113	4.6
145.04935	0.6
146.99110	0.6
149.02310	1.0
149.05977	0.8
149.13182	7.2
151.03870	0.8
151.14769	3.5
158.05966	0.8
165.16370	8.2
177.05389	0.6
177.16338	100.0
178.16667	4.7
183.17374	5.2
195.10117	0.8
195.17387	53.3
196.10422	2.4
196.17664	1.2
213.18436	14.8
216.08717	5.0
231.19493	34.6
232.19823	0.7
240.08728	3.2
300.11002	1.1
376.10367	0.7
393.14890	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03873	1.3
55.01804	1.2
55.05185	0.8
55.05443	17.9
56.42671	0.5
57.03368	2.9
57.06770	0.8
57.07010	11.6
59.04921	0.9
61.02858	0.7
61.30811	0.6
62.44593	0.6
67.05424	15.8
68.88609	0.6
69.03343	5.0
69.06983	30.5
70.06509	9.3
71.04893	5.0
71.06848	0.6
71.08540	1.4
72.08060	1.4
74.48369	0.7
79.05402	17.2
81.03336	0.8
81.06970	54.7
83.04895	1.1
83.08536	20.0
84.04392	1.3
84.08061	5.3
85.02816	13.9
85.06459	14.4
85.10078	0.6
86.09618	5.4
91.05408	6.0
91.20377	0.6
92.10876	1.2
93.06966	42.6
95.04886	2.5
95.08524	87.2
96.08882	1.1
97.02815	3.3
97.06445	3.2
97.10091	12.9
98.97518	1.0
99.04377	0.7
99.08039	6.8
105.06959	5.1
105.37897	0.6
107.04909	2.5
107.08530	66.4
109.06447	1.2
109.10100	43.8
110.07107	2.8
111.08057	4.5
111.11659	4.2
113.09608	0.7
119.08504	1.0
120.08044	4.5
121.10091	81.8
122.10375	0.9
123.11650	11.1
125.09594	3.6
127.03864	0.6
129.10190	3.3
133.10168	0.7
135.08128	0.7
135.11646	23.5
136.07564	1.0
137.05978	1.0
137.13219	11.1
139.11136	4.8
149.05920	1.2
149.13182	7.1
151.03828	1.0
151.14792	4.0
153.12727	1.4
156.08015	1.2
158.06004	0.6
165.16353	6.8
167.73283	0.6
177.16339	100.0
178.16692	1.0
183.17415	3.9
195.10081	1.0
195.17403	54.6
196.10474	2.7
196.17802	0.9
213.18425	13.3
216.08807	4.7
231.19482	31.9
232.19637	1.0
240.08682	2.5
300.10934	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2607
Annotation	Butaprost (free acid)
Peak:m/z	Relative Intensity
53.13254	1.2
56.32963	1.0
57.07007	1.7
64.64755	1.0
71.73489	1.1
71.73878	0.9
77.74331	1.1
88.23192	1.0
92.10317	2.2
97.45949	1.0
120.96588	5.5
129.95657	1.3
137.09665	1.2
149.02284	7.7
150.02661	4.3
151.02782	1.8
393.26031	100.0
394.26529	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	393.2608
Annotation	Butaprost (free acid)
Peak:m/z	Relative Intensity
56.73755	0.8
89.62315	1.0
103.30272	1.0
149.02310	2.3
171.11771	1.2
194.11473	16.4
197.35411	1.2
305.01395	1.0
393.25998	100.0
394.26248	2.1
400.29965	1.1
402.16824	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2605
Annotation	Latanoprost (free acid)-d4
Peak:m/z	Relative Intensity
53.45230	0.8
56.96492	2.2
57.07018	0.7
58.07323	0.9
63.75059	0.9
68.20035	0.8
87.68964	0.8
87.83572	0.8
96.44189	0.8
100.68700	0.9
109.10074	1.2
116.98546	1.0
131.83099	1.0
149.02322	1.5
150.02647	4.2
198.31194	0.9
228.73663	1.0
241.11086	1.2
259.11996	1.8
260.12506	1.7
370.19785	2.2
393.26016	100.0
394.26337	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2608
Annotation	Butaprost (free acid)
Peak:m/z	Relative Intensity
56.73755	0.8
89.62315	1.0
103.30272	1.0
149.02310	2.3
171.11771	1.2
194.11473	16.4
197.35411	1.2
305.01395	1.0
393.25998	100.0
394.26248	2.1
400.29965	1.1
402.16824	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87756	0.6
56.96490	1.2
57.06744	1.7
57.07008	38.1
67.13194	0.7
71.07761	0.6
71.28141	0.8
80.55502	0.7
83.97338	0.8
100.44268	0.7
125.07042	4.0
126.05451	3.9
143.29526	0.8
149.02292	1.1
208.14449	1.8
209.12828	11.3
210.11092	1.0
218.12802	5.0
219.11298	1.1
259.12155	1.1
260.12436	0.9
275.17450	8.9
292.20078	6.5
293.18674	5.7
302.18500	12.7
352.18448	2.8
358.24496	0.9
370.19632	1.1
376.25836	100.0
377.26245	3.7
394.26849	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	393.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63655	0.4
54.70280	0.4
55.05447	22.0
57.06993	2.7
67.05074	1.1
67.05422	30.0
69.06983	25.0
71.08532	1.0
74.13699	0.5
79.05405	7.5
81.06968	39.0
82.06487	5.4
82.07294	0.5
83.04889	2.9
83.08031	0.6
83.08534	15.6
84.08070	1.1
91.05387	5.6
93.06961	11.7
95.04853	0.6
95.08527	33.9
97.06445	2.6
97.10095	4.5
105.06966	6.9
107.08527	10.9
109.06469	10.1
109.10101	15.5
109.10841	0.9
109.72323	0.5
110.05969	3.4
119.08522	8.2
121.10073	6.8
123.08038	2.3
123.11665	5.4
128.07072	0.9
133.10098	4.8
135.11629	4.2
137.09587	0.6
137.13225	2.2
147.11649	6.9
149.02345	1.0
149.13232	7.2
150.02568	0.6
151.14743	0.5
161.13210	6.1
163.14749	1.1
165.12755	0.7
166.47345	0.7
175.14760	2.5
179.14255	4.8
182.15417	1.1
189.16129	0.6
196.16890	2.5
209.62059	0.6
231.21075	7.2
238.25227	2.8
248.23662	2.0
249.22055	6.6
266.24701	91.8
267.25073	4.3
283.27502	0.9
291.20529	0.7
305.22076	1.2
326.96243	0.6
337.28687	0.6
347.30368	0.8
351.88232	0.6
357.28906	4.0
367.43182	0.5
375.29953	41.6
376.30206	2.2
393.30984	100.0
394.31326	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	393.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05855	0.4
53.18769	0.6
55.05188	0.8
55.05448	21.5
57.06998	3.6
67.05080	1.3
67.05425	31.0
69.06985	28.5
71.08544	0.8
73.57697	0.6
74.82164	0.6
79.05411	9.0
81.06971	40.8
82.06491	4.6
82.07298	0.8
83.04881	3.0
83.08086	1.0
83.08536	14.6
84.08090	1.0
91.05390	5.0
92.26693	0.6
93.06966	12.7
95.04892	1.0
95.08528	39.3
97.06465	2.3
97.10085	5.3
98.63335	0.6
105.06973	6.0
107.08537	8.8
109.06464	7.9
109.10104	17.6
109.65041	0.7
110.05984	2.6
119.08517	7.6
121.10099	8.2
123.08003	3.3
123.11649	5.8
127.08597	0.6
128.07048	1.0
133.10100	5.0
135.11671	4.2
137.09595	2.3
137.13255	2.7
139.08649	0.7
147.11627	7.2
149.13208	6.4
150.02655	2.3
151.14694	0.9
154.00459	0.7
161.13229	7.0
163.14798	0.7
165.04977	0.6
165.12674	0.9
170.60345	0.7
175.14780	2.8
179.14262	4.4
182.15352	1.3
189.16264	0.8
196.16962	1.0
231.21025	9.2
238.25272	2.3
248.23682	3.6
249.22073	5.7
261.15167	0.6
266.24716	94.7
267.25012	4.9
283.27386	2.2
291.20746	1.1
305.22269	1.1
357.29037	2.7
375.29974	42.0
376.30295	1.4
393.31006	100.0
394.31213	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	393.3147
Annotation	Ergosta-4,6,8(14),22-tetraen-3-one
Peak:m/z	Relative Intensity
55.05439	13.9
57.06994	15.0
61.19669	2.8
65.20972	2.4
69.06651	4.7
69.06987	75.9
75.94439	2.5
75.98138	2.7
78.80605	2.3
79.05420	3.5
81.06958	11.1
81.40659	2.6
83.08517	15.6
87.27286	3.4
89.05939	6.8
92.10860	3.0
92.63889	3.4
94.53571	2.6
95.08527	4.9
97.06430	5.6
97.59672	2.7
109.10123	11.7
116.27761	3.1
125.81992	3.1
143.08591	3.8
145.10092	3.4
155.08463	4.2
157.06473	2.9
171.11618	5.5
181.10013	3.7
183.11629	4.0
195.12015	3.2
197.13168	6.1
209.13145	10.2
224.15599	5.8
253.13499	2.9
253.15692	22.5
268.18149	65.8
269.18445	4.9
376.25861	4.6
393.31403	100.0
394.31747	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	394.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	1.0
55.05450	1.1
56.04980	1.0
57.03372	4.4
57.07018	8.9
61.02857	3.3
69.03008	1.0
69.03352	20.1
69.03697	1.2
70.06507	1.4
72.08080	1.2
73.02842	1.2
73.06465	5.9
79.20054	0.7
81.03335	3.8
83.01273	0.8
83.04898	2.7
84.04432	6.6
84.08080	0.8
85.02827	26.6
86.05954	0.9
87.04384	5.0
91.03883	1.0
96.04416	1.3
97.02827	55.4
99.04333	0.9
100.07546	10.1
109.02848	0.8
114.05485	4.4
114.36652	0.7
115.03886	8.1
117.25258	0.6
118.08617	1.4
120.73423	0.7
124.07555	9.9
127.03881	1.2
128.72667	0.7
129.10202	0.9
133.04971	3.5
142.08586	0.7
160.06024	9.5
166.08478	0.8
214.10728	11.2
232.11758	100.0
233.12138	3.5
241.33826	0.7
244.33069	0.7
394.17056	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	394.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79340	0.5
53.03870	1.7
55.05439	3.2
57.03358	3.7
57.07010	5.3
61.02837	2.8
62.57403	0.6
69.03345	19.9
70.06496	0.9
72.08060	3.1
73.02811	1.3
73.06457	4.0
81.03326	4.5
83.04917	1.5
84.04414	4.6
84.08061	0.9
84.36127	0.8
85.02343	1.3
85.02819	24.8
86.09591	0.7
87.04380	3.8
92.10869	0.7
95.62166	0.8
96.04386	2.8
97.02816	54.1
98.97511	1.3
100.07539	12.7
102.05473	1.3
103.47141	1.0
109.02832	1.6
114.05476	4.3
115.03876	7.5
118.08586	1.2
124.07549	11.0
127.03814	1.7
133.04916	3.6
153.05377	1.0
160.06036	8.2
214.10696	11.4
215.07901	0.9
221.50113	0.8
232.11740	100.0
233.12091	1.7
293.16803	1.0
336.12222	0.7
394.17023	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	394.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	1.1
53.55289	0.6
54.91296	0.7
55.01815	9.1
55.05432	0.9
56.04962	0.7
56.96489	3.1
65.03846	1.4
65.31261	0.6
67.05417	2.9
69.03313	1.5
69.06968	3.4
70.06504	10.0
70.15768	0.7
71.04867	0.7
72.08062	6.4
72.65663	0.7
74.05297	0.6
79.05394	7.4
81.06967	4.3
84.04387	3.5
84.08064	7.9
85.02808	1.6
85.08374	0.7
86.09142	1.1
86.09623	21.4
86.88024	0.7
87.09938	1.5
88.03887	3.8
91.05399	74.4
93.06959	6.5
94.04091	1.6
95.04894	7.3
95.08511	1.4
96.08036	1.1
98.97501	3.4
102.04607	0.9
103.05392	27.5
105.03320	16.2
105.04431	0.9
105.06953	18.2
107.04905	8.6
107.08534	1.5
108.05672	1.0
109.06467	18.1
110.07092	4.5
111.04311	0.7
113.10664	0.7
114.09083	3.3
115.05387	4.6
116.06999	0.9
116.98557	3.8
117.06963	3.1
118.04082	1.7
119.04888	100.0
119.08535	1.3
120.08047	34.5
121.06451	8.6
121.08433	1.1
121.10096	1.2
122.03603	8.3
123.08012	7.5
124.05081	1.0
125.05906	0.7
128.06163	1.0
129.06937	1.3
129.10188	3.1
130.04100	3.0
130.06491	8.3
131.04881	38.0
132.05627	1.3
132.10133	1.3
133.02818	1.8
133.06465	14.6
134.99608	3.0
135.04376	1.5
135.08006	4.6
136.05167	1.5
136.07530	1.4
137.05943	96.8
144.08022	2.7
145.06413	3.2
147.04381	39.1
147.08000	3.0
148.05138	2.8
149.02315	1.2
149.05963	8.3
150.06796	5.3
151.07518	29.9
159.07983	3.4
160.05125	1.2
161.05919	26.4
162.06728	16.5
163.07552	5.9
165.05450	1.6
172.07498	1.8
175.07393	15.9
175.08574	2.4
179.05499	1.4
179.06987	21.4
179.08498	1.0
187.07513	8.1
191.08502	1.5
193.08542	4.5
200.13867	0.9
203.08412	1.1
204.98038	0.9
205.06757	1.0
205.08540	9.9
215.02003	0.9
218.07631	0.7
219.07964	4.2
221.09480	0.8
231.07954	1.7
235.10826	10.7
241.00105	1.2
247.07411	1.6
251.10622	1.5
259.01230	1.7
259.07394	1.0
263.10333	2.9
279.09903	1.8
291.10132	1.2
296.10312	1.2
303.03815	1.1
303.69452	0.8
309.11130	13.1
311.12564	4.4
329.13892	1.0
335.33408	0.8
341.13574	3.5
371.06226	1.6
377.57947	1.2
383.57748	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64544	0.5
53.03879	1.4
55.01813	5.6
55.05444	0.9
55.68026	0.6
56.96491	0.8
57.07000	0.7
65.03854	3.8
67.05416	1.2
69.03336	1.0
69.06971	0.6
70.06508	6.0
72.08060	3.6
72.46684	0.6
79.05402	7.9
81.06970	3.1
83.08562	0.6
84.04428	1.1
84.08065	5.9
85.02827	2.8
86.09612	7.9
91.05405	78.8
92.05747	0.7
93.06986	4.3
94.04111	3.2
95.04895	7.3
95.08515	1.4
100.11139	1.1
102.04617	2.3
103.05399	44.5
105.03332	11.1
105.06973	18.9
107.04902	9.5
107.08521	0.7
108.05677	2.9
109.06474	15.2
110.07117	1.3
111.04385	0.7
115.05396	3.8
116.98605	0.7
117.06974	2.5
118.04086	3.0
119.04893	93.3
119.08487	0.7
120.05182	0.8
120.08052	7.8
121.06473	7.1
122.03617	6.3
123.08021	8.0
124.05167	2.5
128.06158	1.0
129.06915	1.0
129.10199	2.3
130.04120	3.0
130.06468	1.5
131.04890	60.0
131.08530	0.6
133.02859	0.8
133.06454	16.3
135.04395	2.4
135.08017	2.8
136.05176	1.4
137.05951	100.0
138.06313	1.5
143.06009	0.7
145.06436	3.1
147.04381	38.6
147.08000	3.4
149.05940	7.9
150.06737	3.4
151.07513	32.0
151.11137	0.7
157.06473	1.0
159.08026	4.5
160.05226	1.4
161.05946	29.3
162.06717	18.0
163.07520	8.3
165.05519	0.8
167.06979	2.5
173.05948	1.1
175.07503	16.0
177.09077	1.3
179.06987	17.6
179.08424	1.1
187.07520	9.3
189.06827	0.7
190.06152	1.1
191.08542	3.4
193.08539	5.8
194.07358	0.7
202.07771	0.7
203.08542	2.8
205.06685	1.1
205.08536	12.3
213.98195	0.7
217.08533	0.9
219.08102	5.0
223.06058	0.7
228.37843	0.7
235.07428	0.7
235.09532	1.2
247.07445	1.5
248.08319	1.2
251.10587	2.5
259.07465	1.1
263.10583	1.2
265.08749	0.7
269.11502	0.8
279.10138	2.7
291.10049	2.8
296.10284	0.8
301.13443	0.7
309.11130	12.4
311.12701	3.3
323.12775	0.9
329.13702	3.1
341.13629	4.3
373.35806	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1969
Annotation	Glu-Phe-Val
Peak:m/z	Relative Intensity
53.95462	0.4
55.05453	10.5
56.04967	3.4
57.03376	0.4
57.05790	0.6
57.24447	0.4
59.11689	0.4
60.04443	0.8
61.94992	0.5
65.89613	0.4
67.05431	0.9
68.04958	0.7
69.03355	0.8
69.06991	2.1
70.06509	12.9
71.04893	0.4
72.08067	100.0
73.08408	0.5
79.05426	0.5
79.95650	0.5
81.06971	2.0
83.08551	0.6
84.04428	39.8
84.08059	9.3
85.02833	3.2
85.06461	0.6
86.09621	11.3
86.10107	0.7
88.03958	0.5
91.05401	1.2
93.06979	2.8
95.04873	0.8
95.08524	3.4
96.08868	0.5
98.97525	0.8
99.07990	0.7
100.07545	0.6
102.05478	25.8
103.05412	2.9
105.06991	1.1
107.04895	0.9
107.08547	2.9
108.08833	0.5
109.10149	0.5
110.07130	5.1
110.09624	2.0
118.08630	0.6
119.08513	0.9
120.08056	72.0
121.08441	0.6
121.10098	2.9
122.10459	0.7
123.04433	0.5
129.10184	4.5
130.08571	0.7
131.04912	0.6
135.11723	0.8
136.06152	0.5
136.07564	0.7
137.05966	2.2
138.09111	12.5
155.11763	2.4
156.10167	9.9
162.52332	0.5
165.05397	0.6
166.08597	23.4
177.16331	5.2
178.16724	1.0
179.10645	0.6
183.11246	24.1
186.09145	0.8
195.17418	0.6
201.12311	25.3
201.14085	0.8
211.10802	4.0
229.11819	10.6
231.11353	0.8
261.06335	0.6
265.15479	0.8
277.11911	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81517	0.4
56.04962	0.4
56.22580	0.3
56.96498	0.6
61.09657	0.3
62.82827	0.4
66.55302	0.4
67.05437	0.5
69.06980	2.4
70.02872	0.7
70.06515	2.8
72.08064	0.8
73.02832	6.6
75.56489	0.4
84.04414	0.4
84.08054	2.7
85.02824	0.7
85.03957	2.5
86.02344	0.6
86.09628	100.0
88.03918	16.4
91.05383	1.1
92.10276	0.5
93.06963	0.6
93.98826	0.4
95.04903	0.4
96.04403	0.8
96.08063	4.3
98.02345	6.0
100.03907	9.3
103.05405	3.2
107.04890	0.9
110.07120	0.5
110.09629	0.8
113.10725	5.6
114.01120	0.4
115.05056	0.7
116.03397	0.4
120.08060	54.7
121.02853	0.4
121.08418	0.8
129.10178	0.8
130.06529	1.7
131.04912	1.8
138.09109	8.0
141.10207	16.4
142.05032	0.5
142.08606	2.5
143.11771	1.7
155.11749	1.0
156.10165	17.8
157.10330	0.5
160.99582	0.6
166.08598	13.0
167.07048	0.7
183.11237	8.8
184.09692	4.8
198.06618	0.4
201.12315	66.6
208.81044	0.4
229.11819	14.2
235.10751	1.8
279.16998	0.9
394.19580	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82301	0.3
54.81684	0.3
55.05438	0.3
56.96504	0.8
57.03374	0.3
57.07008	0.4
62.70102	0.3
67.05424	0.6
69.06993	3.3
70.02852	1.3
70.06509	3.0
71.53242	0.3
72.08053	0.9
73.02826	7.0
73.44074	0.4
81.06946	0.5
84.04408	0.5
84.08068	3.3
85.02820	0.4
85.03951	2.0
86.02342	0.5
86.09624	100.0
87.09956	0.9
88.03908	18.4
91.05388	1.7
93.06956	1.7
96.04398	0.9
96.08050	4.9
98.02337	7.2
98.97508	0.8
100.03904	10.1
100.13042	0.4
103.05396	2.4
105.06950	0.6
107.04923	0.7
110.02351	0.7
110.07138	0.7
110.09592	1.3
113.10708	6.7
114.05471	0.4
116.98567	0.4
120.08051	56.3
121.08384	1.8
127.04980	0.5
129.10199	0.9
130.06476	3.2
131.04875	0.8
138.09108	9.0
141.10204	16.2
142.08623	2.0
144.08055	0.6
149.06003	0.5
150.02588	0.5
155.11765	1.6
156.10162	16.5
158.99507	0.4
166.08603	14.4
167.07062	0.7
175.08719	0.6
183.11256	7.0
184.09641	4.7
190.08597	0.4
201.12303	72.2
202.12572	0.6
215.72929	0.4
223.10776	0.8
229.11786	14.9
235.10684	2.1
279.16824	0.6
328.74496	0.4
354.83157	0.4
394.14273	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	27.5
56.96490	7.6
58.98303	3.1
61.02848	5.9
67.05428	32.6
69.03329	18.2
69.06989	28.6
70.06503	3.6
71.04910	4.9
79.05406	8.5
81.03329	7.7
81.06974	83.6
83.04880	4.4
83.08531	17.8
84.08082	3.3
85.02829	51.0
85.06460	7.1
86.59916	3.6
91.05389	20.4
93.06973	28.2
95.04840	4.1
95.08533	100.0
97.02822	16.0
97.06432	19.6
97.10131	5.4
98.97496	15.8
103.05370	4.3
105.06971	40.2
107.08529	13.7
109.02814	3.8
111.08045	5.5
113.09528	3.5
116.98554	22.4
119.08527	37.6
121.10075	18.8
123.08033	6.4
133.10100	33.1
133.55150	3.8
134.99681	4.8
135.11656	18.3
137.13200	19.8
143.08679	3.6
159.11696	5.2
161.13211	77.5
167.46979	3.9
177.00674	7.3
177.56325	4.7
179.14272	71.3
197.15300	31.7
215.16341	4.3
318.51175	3.8
395.20251	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	394.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81506	1.5
57.06733	2.9
57.07010	77.6
57.07292	2.9
62.33988	1.1
62.85483	1.2
63.84549	1.2
69.06986	2.0
71.08546	54.2
73.06495	1.8
85.10098	23.6
89.05953	100.0
92.10956	1.4
96.77886	1.3
107.06995	6.1
133.08566	27.2
151.09648	2.2
177.11197	6.1
188.78035	1.3
194.58540	1.5
195.12251	54.0
196.12656	1.3
222.60939	1.5
227.45117	1.4
377.32468	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	394.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35592	1.2
54.54693	1.4
55.05439	1.3
57.07012	93.1
63.53134	1.4
67.31471	1.4
68.11290	1.3
69.06975	2.6
71.08546	68.5
79.61578	1.3
84.87180	1.4
85.10106	29.9
89.05953	100.0
92.10261	1.5
99.11663	1.4
107.07048	6.2
107.13441	1.8
133.08577	23.8
143.15224	1.4
150.28368	1.4
151.09596	2.1
158.30545	1.8
175.42429	1.5
177.11153	5.9
195.12238	64.3
244.27731	1.6
245.86183	1.5
295.81497	1.4
356.66089	1.5
377.32483	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	395.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01792	1.9
55.05451	10.3
56.04974	17.5
56.96510	1.4
57.03369	6.4
58.06534	10.9
60.04454	8.2
61.02843	5.8
64.72752	1.1
67.05422	1.7
68.04945	5.5
69.03341	15.2
69.06988	12.1
70.02882	1.7
70.06138	2.6
70.06509	70.1
71.04932	1.5
71.06824	1.2
72.04416	8.7
72.08070	40.6
73.02827	1.3
73.05213	1.7
73.08394	1.8
74.05989	54.0
74.87048	1.1
75.04391	1.2
76.56757	1.4
76.81872	1.1
79.05421	2.6
81.03329	7.6
82.06479	2.0
83.04876	1.9
83.05574	1.2
83.06030	2.2
84.03942	2.1
84.04427	34.9
84.08065	51.6
84.69483	1.1
85.02830	32.0
85.06920	1.2
85.08400	1.7
86.05983	5.9
86.09625	97.2
87.09960	1.8
88.03910	6.5
88.07538	2.9
90.05474	7.1
91.05393	2.7
91.40263	1.1
95.04868	1.5
96.04407	5.2
96.08051	1.4
97.02816	10.9
98.05989	37.4
98.09626	2.2
98.97504	2.6
99.04400	2.1
100.11189	11.9
101.07059	2.2
102.05479	8.0
104.75845	1.3
105.03336	1.6
105.67490	1.1
107.04865	1.4
108.04418	1.7
109.02822	1.6
109.45676	1.3
110.05996	2.1
110.07114	28.1
110.09608	1.8
112.03945	1.3
112.07514	1.7
112.08654	2.3
116.06272	1.6
116.07047	39.6
116.98581	5.1
119.04867	2.0
120.06559	2.3
120.08031	10.4
123.04375	19.7
123.07948	1.3
126.05458	1.8
127.03841	2.7
128.10672	100.0
129.10196	27.1
130.04993	3.0
130.06412	1.9
130.08594	1.7
132.10179	17.4
136.07532	9.4
136.08563	1.1
138.03520	1.2
138.05489	1.7
139.03882	2.7
145.04961	1.3
146.06113	1.6
147.04260	1.8
149.02347	1.3
152.07014	1.6
154.12361	1.4
156.06537	1.6
162.07561	1.3
163.02606	1.5
163.03854	2.1
164.10675	5.2
166.08513	1.6
167.09224	1.4
177.01854	12.3
181.04898	2.3
187.14391	2.9
190.17429	1.5
195.08731	2.2
195.11324	1.7
209.04401	2.0
210.10971	1.2
211.14439	2.8
215.13841	1.9
229.15430	2.1
230.13837	3.1
233.14951	25.2
239.13795	1.4
240.13356	1.9
254.18105	1.3
257.14902	11.7
275.15958	53.2
300.39862	1.5
311.15927	12.6
312.27890	1.4
329.06238	1.8
359.18280	1.5
361.09076	7.1
395.20215	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64138	0.9
51.39611	1.0
55.05456	1.1
57.07022	1.8
62.61343	1.0
63.56511	1.3
69.06967	1.6
76.56258	1.3
79.05430	1.3
85.05853	1.2
91.05376	1.3
95.08597	1.5
98.98383	1.8
102.88950	1.1
141.48634	1.4
144.79663	1.2
180.81505	1.2
238.42032	1.4
309.94333	1.3
383.78290	1.3
395.27609	100.0
396.28339	1.5
413.42480	1.6
414.35840	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49752	0.9
54.81904	0.8
57.06999	1.4
70.64610	1.0
93.06918	1.0
107.96989	0.9
111.47627	0.9
113.52110	1.1
148.75212	1.1
149.62888	1.0
159.29509	1.1
205.56718	1.1
232.21222	1.2
330.59100	1.0
395.27582	100.0
396.27753	5.4
408.20676	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05457	1.1
59.06060	13.7
60.05581	100.0
62.11728	0.8
62.46149	0.8
63.76091	0.8
67.04874	1.0
69.07003	1.1
88.62684	0.9
89.05940	10.3
102.34133	0.9
133.08533	1.0
153.72644	0.8
195.12202	4.2
196.12642	1.7
283.44559	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01800	1.3
55.05434	0.9
55.93495	0.6
56.96485	0.8
57.03360	1.0
65.03835	1.0
67.05415	1.3
70.06503	7.8
72.08066	1.9
76.56653	0.7
79.05415	6.0
81.06995	1.4
84.04411	1.0
84.08055	6.2
85.02815	1.0
86.09605	5.3
88.03925	0.8
91.05402	26.5
93.06998	2.4
94.04099	1.5
95.04885	4.5
95.08508	1.1
102.04631	1.0
103.05401	19.2
105.06975	12.7
107.04893	39.3
107.08519	1.1
109.06448	4.0
110.07092	3.0
115.05423	6.4
116.32619	0.7
116.98624	1.3
117.06949	3.5
118.81543	0.7
119.04082	1.0
119.04899	24.7
120.05669	1.1
120.08059	4.3
121.06454	8.0
121.08349	1.2
122.03613	7.5
122.07216	1.0
128.06157	1.3
129.06981	6.0
129.10197	1.1
130.04095	3.1
131.04893	14.6
131.08571	1.1
133.02821	1.5
133.06458	6.9
135.04337	0.8
135.08037	10.5
137.05951	100.0
138.06284	1.5
140.97064	0.8
144.05644	1.0
145.06404	1.9
145.07480	1.1
146.07220	4.7
147.04391	24.4
148.05122	4.6
149.05942	5.2
150.06718	4.5
151.07515	31.1
157.06406	3.3
161.05940	77.0
161.09563	15.7
162.06729	11.8
162.09973	0.7
163.07512	40.6
164.07863	1.1
165.06915	1.5
165.09077	1.0
167.08524	2.8
174.06723	5.1
175.07489	8.0
177.00615	1.1
177.09015	1.1
178.07767	1.1
179.07001	4.6
179.08450	1.1
181.08528	4.6
189.09062	36.9
190.09323	1.0
191.07005	1.3
193.06563	2.8
193.08452	1.2
193.10068	3.0
194.07231	1.2
195.08017	7.1
197.09445	0.9
207.08159	1.7
207.10109	26.0
209.09442	1.0
219.10109	3.9
221.05901	4.1
221.09541	4.0
222.06622	0.9
223.07492	4.1
224.08234	1.0
225.09053	3.2
227.10709	10.1
235.07417	1.3
237.08992	1.4
238.06436	1.0
239.06793	0.9
240.07677	1.0
249.09013	0.9
252.07777	1.1
253.08551	4.1
253.12291	2.8
255.10248	7.1
265.08600	3.1
267.10101	1.9
269.08127	1.0
281.11868	2.8
285.11002	5.8
287.12704	15.1
293.11798	1.1
297.11197	1.4
299.12607	1.5
311.12701	10.2
313.14224	11.5
325.14191	1.3
329.67203	1.0
331.11563	0.8
331.15317	20.1
343.15378	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01798	1.8
55.05441	1.2
56.46046	0.6
65.03863	1.3
67.05416	1.2
69.06978	2.9
70.06499	8.4
72.08060	4.0
79.05405	6.2
81.06960	1.4
84.04381	1.1
84.08063	5.5
85.54073	0.7
86.09621	13.7
87.09953	1.6
88.03889	2.9
91.05405	30.8
92.05745	0.7
93.06979	1.7
94.04121	1.3
95.04884	4.1
102.04585	1.8
103.05399	17.2
105.06969	14.6
107.04195	1.5
107.04897	41.3
107.08517	1.1
109.06470	5.1
110.07137	0.9
115.05396	8.0
117.06955	1.9
119.04071	1.4
119.04889	27.8
120.08050	4.5
121.06471	8.8
121.08392	1.0
122.03611	7.2
122.07218	0.8
123.08001	1.0
128.06219	1.5
129.06940	6.9
129.10172	3.3
130.04089	3.4
131.04890	17.7
131.08492	1.0
133.02821	3.0
133.06448	8.3
135.04347	1.3
135.08025	12.0
136.05128	1.2
137.05952	100.0
138.06230	1.9
141.21147	0.8
144.76259	0.8
145.06430	1.9
146.03566	0.8
146.07234	1.6
147.04390	30.0
147.07961	1.1
148.05136	3.6
148.06229	0.9
149.05920	6.1
150.06741	4.1
151.03889	1.3
151.07524	34.0
152.07816	1.0
156.10214	1.0
157.06447	5.1
157.10368	0.9
160.81140	0.8
161.05940	80.4
161.09575	19.2
162.06712	15.5
163.07507	47.6
165.06837	1.5
165.09085	1.5
167.08521	4.1
174.06732	3.7
175.07495	9.3
177.09032	1.6
178.07729	0.9
179.06972	4.7
181.08583	7.4
189.09071	39.6
193.06471	1.6
193.10036	3.0
194.07146	1.1
195.08064	6.6
195.09889	0.8
197.05971	1.3
201.09032	1.0
201.12311	1.9
203.12773	1.0
207.08195	1.8
207.10123	33.6
209.09566	1.4
210.06602	1.7
211.07501	0.8
215.20755	0.8
219.10155	3.0
221.05940	2.9
221.09602	3.5
222.06799	1.1
223.07445	4.1
224.08279	1.1
225.09079	3.6
227.10628	9.3
228.79156	0.8
233.09537	1.2
237.08955	1.2
241.12132	0.9
249.09152	1.2
253.08504	5.0
253.12254	6.0
255.10121	10.8
260.60684	0.8
265.08536	1.8
267.10089	3.7
269.08008	1.5
284.10382	1.2
285.11090	7.1
287.12701	20.1
297.11356	1.0
299.12772	1.7
311.12726	13.1
313.14304	16.5
325.14066	0.9
331.15305	23.6
343.15118	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	396.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71211	0.6
55.01803	1.7
55.05441	9.5
56.04969	2.3
57.03372	18.4
57.06993	1.1
59.04930	1.1
60.04456	1.9
61.02842	4.5
61.26123	1.1
67.05423	16.5
69.03346	19.3
69.06988	15.7
70.06141	1.3
70.06506	29.5
71.04904	8.9
71.06837	1.2
72.08064	11.3
74.05979	2.1
78.12844	0.8
78.49975	0.8
78.66891	0.8
79.05402	26.8
81.03319	1.8
81.06973	55.3
82.07288	1.6
83.04894	12.0
83.08531	3.8
84.04422	8.2
84.08064	21.5
85.02821	24.2
85.06467	8.6
86.09621	18.2
87.04372	1.2
87.05512	1.0
88.03892	2.0
91.05412	9.9
93.06973	53.9
95.04865	4.2
95.07964	1.9
95.08533	42.7
97.02802	6.4
97.06454	15.4
97.10094	1.3
99.04366	7.3
99.08018	1.2
101.05965	2.3
102.05408	1.1
103.05381	1.2
105.06977	18.3
107.04939	1.2
107.07866	1.5
107.08535	31.2
109.02817	2.3
109.06465	5.5
109.10104	6.8
110.07098	10.6
111.07999	3.9
115.07516	3.6
116.07074	1.3
116.98537	1.0
117.06978	3.3
119.08530	24.1
120.08047	11.1
121.06445	4.5
121.10093	100.0
122.10429	1.5
123.08006	17.7
123.11663	1.4
125.05906	1.0
125.09582	2.2
127.03913	2.1
127.07491	1.4
129.10194	7.8
130.05028	1.0
130.06459	6.0
130.07756	1.7
131.06818	5.2
132.04416	1.3
135.07988	1.4
135.11655	43.1
136.07610	1.2
137.09570	2.0
137.13191	6.5
139.07512	1.3
139.11157	16.5
145.05042	1.3
145.10094	41.4
153.12718	11.6
155.10716	1.2
158.05969	1.4
159.06247	1.3
159.09193	1.7
163.11142	65.5
181.12190	90.8
199.13248	21.7
217.14272	8.8
289.52808	0.9
343.08212	1.0
396.21030	5.1
397.18411	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	396.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64273	0.7
55.05440	5.1
56.04967	5.5
57.03364	1.0
57.06997	1.0
60.04451	100.0
67.05426	9.3
68.04908	0.8
69.06988	5.7
74.05988	11.2
78.04145	0.8
79.05392	3.9
80.04922	3.2
81.06959	9.1
82.06490	1.1
83.08539	3.3
91.05405	1.5
91.93715	0.7
93.06968	4.2
95.08529	10.5
97.10091	1.3
98.35636	0.8
98.98389	0.8
102.05418	0.8
105.06982	1.0
107.08527	1.8
109.10112	1.9
119.08513	1.9
121.10049	3.0
141.45505	0.7
172.95219	1.1
182.59285	0.8
250.35875	0.8
262.25201	1.6
280.26340	5.1
298.27322	26.3
396.24902	7.7
397.16470	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51020	1.8
55.01798	2.3
55.05454	4.2
56.04979	14.6
56.96491	4.3
57.03360	2.1
60.04467	3.8
67.05424	2.8
69.03343	3.3
69.06987	9.2
70.06507	72.7
71.06847	3.7
72.08070	36.0
73.08384	2.7
74.05988	12.2
79.05393	2.6
80.05601	2.4
81.06989	2.6
83.06039	2.9
84.04425	26.4
84.08064	64.6
85.02823	12.7
86.09621	43.8
88.03910	2.8
91.05392	5.1
91.81197	1.8
93.06988	4.1
95.06039	2.3
95.08491	2.0
97.02852	2.5
97.56631	2.1
98.97502	2.3
101.07121	2.6
102.05495	5.1
105.06963	4.4
107.04897	4.7
107.08528	4.2
110.07124	37.4
112.08685	3.1
112.92307	1.9
115.08675	2.4
116.07057	9.4
117.06924	2.5
119.04930	2.3
119.08466	2.0
120.08053	23.8
125.05213	2.0
125.09581	2.0
129.10193	30.4
130.04970	5.1
131.04912	3.3
134.70894	2.1
136.07541	10.4
137.05956	3.0
153.09071	2.8
156.92447	2.0
159.09200	2.3
198.01962	2.5
199.09598	3.8
205.04677	3.7
234.08575	8.7
235.09328	3.2
235.15108	2.1
397.14572	100.0
398.14670	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	397.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
68.23721	1.8
81.06958	3.9
90.65308	1.7
97.25827	1.7
119.08545	14.0
184.80461	1.9
188.77577	2.0
193.06339	2.2
201.05202	11.9
211.59354	1.8
216.07544	100.0
217.08167	2.3
397.16138	85.7
397.21396	3.0
398.16382	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	397.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01100	0.7
53.03876	1.3
53.35929	0.6
55.01806	1.8
56.96505	0.8
57.03371	44.1
59.04921	2.0
61.02852	17.5
66.44959	0.7
69.03347	43.0
70.06492	1.8
71.01261	2.0
71.04900	1.6
73.02827	73.4
75.04427	1.3
81.03333	6.8
84.04408	1.7
85.02824	100.0
85.06459	1.0
86.05971	1.1
86.09634	1.0
87.04409	7.3
91.03865	5.6
96.87624	0.8
97.02816	63.2
99.04357	3.6
109.02810	5.5
110.07069	1.4
115.03869	29.3
116.98573	0.9
117.52660	0.8
120.08069	6.8
121.08332	1.0
127.03870	23.9
128.98431	0.9
129.10205	1.3
133.04922	8.1
134.99609	1.0
145.04933	29.1
163.06012	8.6
200.09125	0.9
218.10208	33.0
223.06017	1.3
241.07018	5.1
248.11264	5.0
259.08026	1.9
295.10184	9.6
295.67572	0.9
296.63831	0.9
380.15326	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	397.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01797	0.2
56.04967	0.2
57.03365	0.6
60.67540	0.1
69.03349	0.3
72.08045	0.1
74.93795	0.1
81.39532	0.1
84.04427	0.2
84.08050	0.2
84.57595	0.2
85.02831	1.1
92.10262	0.2
92.10740	0.2
97.02827	0.2
98.16430	0.1
109.31139	0.1
110.07108	0.8
119.03482	0.3
127.03840	0.2
129.10211	0.2
133.03120	0.2
133.04921	0.1
136.06155	100.0
137.04556	0.3
137.05627	0.2
137.06532	0.6
139.98891	0.1
147.25172	0.1
181.39130	0.2
268.10339	12.4
269.10580	0.2
413.85001	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37727	0.3
56.04964	0.5
57.05737	0.4
58.06532	12.7
59.04934	3.8
61.01079	0.4
68.35008	0.3
69.03336	2.5
69.06985	8.1
72.18348	0.4
76.07545	2.2
80.43791	0.4
84.08069	0.8
85.02791	0.5
86.05444	0.7
86.05982	31.3
86.09621	100.0
87.09979	0.7
89.75547	0.4
89.92632	0.4
94.67467	0.4
103.75403	0.4
104.07031	46.7
110.07114	2.2
132.10161	30.7
201.03127	0.5
219.73921	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42228	3.1
55.01814	3.5
55.05447	5.8
55.30887	4.0
56.96508	4.1
61.12193	3.4
67.08500	3.4
69.03339	6.9
69.06985	5.5
70.06506	20.4
81.06954	6.1
84.04453	5.0
84.08073	21.3
85.02842	14.8
86.09626	18.8
91.05392	6.3
93.06963	4.3
95.08523	5.3
97.02840	6.5
98.97519	3.9
100.11183	6.4
103.05383	7.3
105.06983	16.2
106.57342	4.3
107.08528	7.1
109.10104	6.1
110.07104	5.5
115.89172	4.2
119.08540	9.8
120.08073	6.5
121.06443	6.7
124.24025	4.2
131.04872	5.8
133.10106	17.8
135.08040	7.4
137.05942	8.0
159.07986	4.7
161.09569	45.4
163.45679	3.7
172.61446	3.7
175.11179	8.2
202.05974	34.4
205.44138	4.4
217.15877	19.7
235.16898	18.9
243.66451	4.3
397.12610	65.0
397.21469	100.0
397.25769	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	397.2219
Annotation	Tinocordiside
Peak:m/z	Relative Intensity
53.03886	1.4
55.05441	2.8
56.96491	6.5
57.03362	2.3
57.06993	1.5
61.02847	2.4
67.05419	5.5
69.03342	18.4
69.06988	2.2
70.06496	7.5
71.04898	2.8
72.08080	2.6
72.31174	1.3
73.02812	1.9
79.05401	10.3
81.03313	6.1
81.06973	18.7
83.04874	2.6
83.08549	1.5
84.08072	1.9
85.02827	40.4
86.09617	5.0
87.04400	1.7
91.05411	11.9
93.06965	20.0
95.04890	2.2
95.08539	12.8
97.02814	10.5
97.06442	5.4
98.97504	8.9
100.11172	2.2
103.05399	1.8
105.06973	29.7
107.08531	19.3
109.02816	3.0
109.06510	9.3
109.10107	6.7
115.41164	1.1
116.98557	8.5
117.06981	4.9
119.08506	17.4
120.08080	2.1
121.06439	7.2
121.10077	10.7
123.08001	6.7
127.03849	4.7
129.06927	1.9
129.10194	1.7
131.00134	2.0
131.08521	9.3
133.10075	34.1
134.99615	6.8
135.00572	1.5
135.08020	6.8
137.05927	5.8
137.09599	1.6
142.07689	2.3
143.08543	11.7
145.10083	6.9
147.11626	6.2
149.01207	2.4
149.09535	1.6
157.10097	11.1
159.11615	12.3
161.01169	2.1
161.09525	12.4
161.13219	2.0
162.10335	1.2
163.11076	2.0
171.11636	2.2
173.13220	4.9
175.11165	9.2
175.14792	8.1
177.12720	6.2
189.16328	5.3
199.14786	5.6
217.15837	14.7
235.16876	100.0
245.39658	1.4
251.05934	1.8
257.11792	1.5
263.11441	1.3
397.11591	2.1
397.25943	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	397.2213
Annotation	Tinocordiside
Peak:m/z	Relative Intensity
52.15080	1.5
55.05442	9.5
56.96502	2.4
56.98569	1.7
57.03365	1.9
61.02817	1.6
67.05421	3.4
69.03345	8.5
69.06998	3.0
70.06506	8.0
79.05389	4.1
81.03312	1.6
81.06976	10.9
83.08533	2.6
84.08057	2.3
85.02818	19.7
86.09618	2.7
91.05403	2.7
93.06972	9.9
95.04850	2.5
95.08540	7.7
97.02816	7.6
97.06435	2.4
100.11169	15.3
105.06996	17.0
107.08520	13.8
108.94153	1.7
109.02767	2.9
109.06435	3.5
109.10072	3.8
117.06962	1.6
119.08520	10.9
120.08052	3.0
121.10114	3.5
128.06157	1.7
128.10728	2.9
131.08466	3.2
133.10083	39.6
137.09486	2.3
138.19037	1.7
143.08516	2.8
147.08017	3.0
147.11673	3.9
155.72997	1.9
157.10077	3.5
161.09595	25.3
175.14760	2.9
182.15393	4.1
189.12677	9.6
199.14891	1.8
212.33138	1.8
215.50026	1.6
217.15823	11.3
235.16895	100.0
284.29324	1.8
307.39243	1.9
370.19305	1.9
397.12933	2.2
397.21954	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	397.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07024	1.3
58.26614	1.2
59.92179	1.1
61.22353	1.0
69.06984	4.4
71.08562	1.3
74.32696	1.0
86.09624	100.0
125.66727	1.2
140.49388	1.4
142.20764	1.2
211.50142	1.3
324.32596	5.6
352.31979	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	397.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75410	5.3
53.82776	5.4
55.05436	14.7
57.07007	16.8
58.03024	5.9
59.89585	5.7
62.64827	5.4
67.05417	38.5
67.16900	5.8
69.06988	48.9
71.08537	30.1
75.70578	8.5
79.05408	28.6
81.02452	6.8
81.06970	100.0
83.08535	14.0
85.10116	8.6
91.05399	32.7
92.10251	13.8
93.06948	57.3
95.08532	70.4
97.10040	7.8
105.06954	58.8
107.08546	44.6
109.10107	50.4
119.08519	54.0
121.10100	15.9
121.96353	7.7
123.11682	16.5
133.10104	32.2
135.11652	40.8
145.10123	6.4
147.11656	88.9
149.13263	30.1
161.13235	67.2
163.14786	8.9
175.14761	35.0
189.16335	12.6
263.56900	7.1
294.33356	6.9
397.38107	93.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15904	0.2
58.06525	0.4
69.03335	0.2
69.06984	1.2
85.02786	0.4
86.05997	2.8
86.09621	100.0
87.09958	1.8
97.02843	0.4
104.07041	2.8
105.07387	0.4
110.07120	1.2
132.10161	39.6
133.10518	0.4
136.06175	0.4
147.70741	0.3
177.78915	0.2
293.75879	0.3
376.40915	0.3
401.90027	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88899	0.9
52.18609	0.9
53.00241	1.6
53.03893	1.5
55.01816	2.0
55.05442	4.9
56.04965	5.3
56.96499	1.1
57.03373	29.6
58.16013	0.8
59.04935	7.4
59.23571	0.8
60.04436	5.6
61.01051	1.0
61.02856	6.7
67.05426	3.7
69.03347	85.6
69.06987	45.3
70.06135	1.6
70.06508	36.1
71.01273	1.1
71.04903	1.6
71.06831	1.5
72.08072	14.4
73.02824	4.5
74.05978	2.4
75.04385	4.8
77.71521	0.9
79.05431	1.6
81.03329	9.1
81.06987	1.9
83.04906	1.6
83.06035	1.4
83.08550	2.2
84.04434	12.6
84.07590	1.6
84.08067	29.7
85.02824	100.0
85.06496	2.0
85.08398	1.2
86.09630	18.3
86.13698	1.1
87.03859	2.3
87.04386	50.2
88.03880	1.6
91.03860	1.5
91.05405	5.0
93.06975	2.0
95.08542	1.4
97.02821	67.3
97.06455	1.7
98.05981	1.5
99.04391	2.4
101.02316	1.1
101.07082	1.3
102.05495	1.9
103.03865	1.4
103.05395	19.5
105.06929	1.0
107.04923	1.1
109.02816	5.7
109.06509	1.3
110.07105	19.1
111.04375	1.7
111.08047	8.6
112.08674	1.5
114.70848	0.9
115.03077	2.1
115.03882	56.3
116.07060	2.0
118.41252	1.0
119.04874	1.5
119.08530	1.5
120.08041	10.9
123.04398	4.2
123.08092	1.1
125.05937	1.2
127.03888	17.7
127.90900	1.0
129.10188	17.1
130.06512	1.4
131.04880	37.3
132.08058	1.5
133.04927	49.3
133.06435	1.4
135.08031	1.2
136.07550	5.5
137.05981	4.1
137.09621	1.4
139.03868	4.0
145.04932	17.8
145.06039	1.4
148.05164	8.2
149.05966	1.3
150.07645	1.6
157.24951	1.1
163.05989	7.8
163.07512	12.2
165.09096	1.7
167.07014	9.4
169.04964	1.7
175.07481	4.9
183.10069	2.5
201.09138	2.1
201.11191	6.0
231.12167	1.3
259.08029	4.8
277.09204	1.7
290.79385	1.1
295.10327	10.4
362.64517	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	4.0
55.01810	0.6
55.05443	6.2
56.04968	2.6
56.96507	1.8
57.03360	3.0
59.04917	0.6
60.04451	0.7
61.02850	3.9
67.05424	0.9
69.03345	17.4
69.07001	1.0
70.06133	1.2
70.06507	23.3
71.04907	8.0
71.06845	0.7
72.08065	7.4
72.54889	0.5
73.02834	2.4
73.30175	0.6
74.05988	1.4
79.07732	0.5
81.03335	14.1
81.06958	0.9
83.04897	2.9
83.08529	0.8
84.04427	5.9
84.08062	14.7
85.02824	76.6
86.09628	9.6
87.04378	1.1
87.09997	0.6
88.03893	1.0
89.03864	0.6
91.05403	2.8
93.06982	1.2
95.04898	0.8
95.08538	1.4
97.02821	20.1
97.06473	0.6
98.97517	2.6
99.04383	49.2
101.05917	4.2
102.05481	1.4
103.03874	100.0
104.04234	0.7
105.06984	1.0
107.04891	0.8
107.08533	1.3
109.02832	17.5
109.10100	1.0
110.07093	5.2
111.04382	3.1
115.03882	1.1
116.07001	0.8
116.98573	2.3
117.03345	1.0
118.06467	3.9
120.08059	8.9
121.10095	0.6
123.11633	0.7
127.03870	91.0
129.05453	1.5
129.10168	6.0
134.99631	1.3
135.08086	0.6
136.07559	2.2
145.02809	3.2
145.04927	30.7
146.06001	7.7
146.99574	1.3
147.11629	0.9
161.01231	1.1
163.05975	26.7
165.12833	0.6
172.80423	0.6
177.00763	0.9
177.05418	1.1
187.05960	1.4
201.11142	4.5
205.06970	1.3
219.01653	1.4
235.16864	3.5
236.17186	3.3
237.02661	2.6
271.07965	2.8
287.05392	5.5
289.09183	3.5
307.10147	5.9
361.02048	1.0
363.16144	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55025	0.2
53.03873	0.3
54.14978	0.4
55.01808	0.4
55.05439	4.2
55.62841	0.3
56.04963	1.4
57.03356	0.5
57.07016	0.7
59.04918	0.3
59.38283	0.3
61.02829	0.6
67.05428	6.4
69.03345	2.7
69.06984	3.3
70.06505	7.1
71.04900	1.8
72.08072	3.1
74.05996	0.4
74.27332	0.3
79.05403	1.6
81.03297	0.4
81.06968	30.7
83.04915	0.7
83.08530	4.7
84.04405	1.8
84.08060	5.1
85.02342	0.4
85.02823	8.1
85.06441	0.7
85.08437	0.3
86.09629	5.2
87.04369	0.6
88.03912	0.4
89.66746	0.3
91.05397	1.7
93.06957	3.5
95.04869	1.6
95.08532	9.1
97.02823	2.2
97.10048	0.5
98.97504	0.4
99.04375	0.4
100.11171	5.2
102.05478	0.4
105.06969	9.6
107.08514	3.5
109.02811	0.6
109.06467	0.6
109.10071	1.4
110.07109	3.5
111.04302	0.3
116.98598	0.5
119.08536	2.4
120.08060	2.1
121.10094	12.5
123.11650	100.0
124.12004	1.2
127.03832	0.7
129.10184	2.4
133.10130	0.5
134.99683	0.4
137.13213	6.0
141.10330	0.4
147.11662	20.3
157.09741	0.5
165.12700	15.2
182.15298	0.6
183.13760	19.0
201.14813	9.2
210.14734	0.4
219.13861	0.5
219.15884	6.3
231.09076	0.4
312.36285	0.3
343.30289	0.5
356.14673	0.4
398.32385	1.7
398.82510	1.4
399.15997	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2663
Annotation	phytosphingosine-1-P
Peak:m/z	Relative Intensity
55.05440	5.8
56.04961	5.5
57.03357	4.0
57.07018	1.9
60.04457	100.0
67.05419	6.8
69.06981	5.3
71.08541	1.7
72.06391	1.0
74.05988	9.4
79.05405	1.5
81.06963	3.9
83.04911	1.7
83.08519	3.9
86.25660	1.0
93.06969	2.2
95.08535	5.1
97.06444	1.2
106.44880	0.9
107.08511	1.7
109.10098	1.7
114.89388	1.0
119.08523	3.8
136.61580	0.9
154.83682	0.9
172.95233	1.6
190.96268	2.1
195.01778	1.0
264.26801	1.8
274.97174	1.3
282.28009	8.4
282.30624	1.4
284.33441	1.0
300.28940	29.8
398.26767	9.0
411.35321	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85128	0.4
53.03878	0.8
55.05442	1.0
56.04961	2.3
56.96510	4.1
63.81061	0.5
67.05434	1.4
67.67104	0.6
69.03341	2.7
69.06973	2.9
70.06509	35.8
70.06894	1.3
71.04889	0.6
72.08064	3.5
74.05976	0.7
79.05424	0.9
81.03321	1.2
81.06969	2.6
81.47289	0.5
83.06084	0.6
84.04426	3.0
84.08066	8.1
85.02812	4.3
85.06498	0.5
86.09622	29.5
91.05380	1.3
95.04881	1.4
95.08538	2.7
96.08001	0.7
97.02824	2.5
98.05898	0.6
98.97520	2.9
103.05409	1.1
105.06960	2.2
107.08555	0.8
109.06519	0.8
109.10081	1.0
110.07108	2.3
115.91158	0.6
116.07021	1.2
116.98582	3.4
117.07019	0.6
119.04940	0.7
119.08517	1.3
120.08041	2.5
121.10103	0.7
123.08015	0.9
127.07516	3.9
127.08580	2.2
129.10190	3.8
131.04900	1.2
131.08534	1.5
134.99603	2.8
135.08025	1.3
136.06168	0.7
137.05972	2.3
143.11777	3.5
145.10152	0.7
146.99660	0.7
147.04398	0.7
147.11676	0.7
155.08061	5.1
159.11627	1.1
161.05885	0.8
165.05453	0.7
177.00752	0.8
183.06497	1.1
185.16570	0.6
201.12471	1.3
202.05966	10.4
219.13875	1.1
223.06020	3.0
237.02692	0.8
237.14905	0.8
268.16571	0.6
312.15320	1.0
315.84317	0.7
358.14752	0.8
384.12234	0.9
399.14066	100.0
399.25760	3.0
400.14447	1.4
401.90427	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81742	0.6
55.05443	1.3
56.04950	1.2
56.96491	3.9
57.07021	0.6
59.79037	0.5
62.63989	0.6
65.28822	0.6
67.05423	0.8
69.03350	0.8
69.06978	1.0
70.06511	19.4
72.08062	5.2
81.06969	3.6
84.04424	3.0
84.08061	6.6
85.02821	1.3
86.09620	8.2
93.06950	0.8
95.02351	0.6
95.08543	1.5
98.97510	1.4
100.11204	0.7
100.12334	0.7
103.05450	1.1
105.06982	1.1
109.03873	0.6
110.07133	3.3
116.98545	1.2
120.08047	3.5
127.08624	2.7
129.10178	2.6
134.99609	0.9
135.08044	1.1
145.10072	0.9
163.37267	0.7
167.06941	2.4
201.14824	0.9
202.05928	9.3
399.14050	100.0
400.14401	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	1.7
55.01799	1.6
56.04961	0.7
57.03134	0.5
57.03368	8.0
61.02849	3.5
69.03002	0.7
69.03347	12.1
69.06988	0.6
70.06506	9.5
71.04892	0.6
72.08056	2.3
73.02826	1.0
75.04386	0.8
81.03335	6.0
83.01237	0.5
83.06017	0.6
84.04412	3.5
84.08063	6.7
85.02823	25.2
85.08430	0.4
86.09615	3.6
87.04372	2.1
91.03875	0.6
91.05409	0.9
92.10770	0.4
95.04894	0.6
97.02816	10.1
98.97507	1.9
99.04369	1.6
102.04620	0.9
103.05398	53.8
105.06963	2.8
109.02825	3.3
110.07101	3.5
115.03834	0.5
115.05336	0.5
115.08596	0.5
116.07008	0.7
116.98555	0.7
119.08535	0.7
120.08076	2.9
123.04376	0.6
127.03854	4.9
129.05443	0.6
129.06647	0.4
129.10190	3.8
130.04074	3.2
131.04886	100.0
132.05258	2.2
133.04935	0.4
133.06433	2.7
136.06163	0.4
136.07561	1.0
139.03879	1.0
141.06949	0.6
144.08090	0.4
145.04950	1.7
145.06465	1.4
147.04411	0.8
147.07961	0.8
148.05157	24.3
157.06476	0.7
158.07292	0.7
158.99583	0.5
160.05151	0.8
161.05949	4.2
162.06671	0.9
163.07500	29.7
167.07021	0.5
169.06459	0.6
175.07487	5.7
177.00687	0.7
188.59061	0.4
189.08992	0.7
201.09067	4.5
204.07767	0.5
219.01633	0.6
219.10175	1.8
227.10234	0.5
237.02757	0.5
237.11295	2.8
274.58286	0.4
286.15067	1.7
399.23395	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	399.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22144	0.4
55.05455	0.5
57.07005	0.5
69.06996	0.5
72.04425	0.6
75.60559	0.5
77.33121	0.5
77.76550	0.4
77.82594	0.4
81.06966	0.5
84.04425	0.5
88.02144	0.7
101.05936	0.5
110.09081	0.5
116.30817	0.5
132.03925	0.5
320.37823	0.5
322.52686	0.5
399.30728	100.0
400.30978	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	399.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	0.4
61.28425	0.5
65.88947	0.5
71.91827	0.5
88.55122	0.5
114.89615	0.5
135.22781	0.5
146.45500	0.5
290.93625	0.5
399.30698	100.0
400.30957	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	399.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38129	0.5
55.05443	1.2
57.07008	15.4
67.05422	3.5
69.06996	4.4
70.06499	0.6
71.08545	9.7
77.13643	0.5
81.06962	4.5
83.03099	0.6
83.08535	1.0
85.10102	4.4
86.09626	100.0
93.06941	0.7
94.92484	0.6
95.08536	7.6
97.02723	0.7
97.10094	1.0
109.10106	4.2
112.92245	0.6
120.40479	0.6
121.10092	0.7
123.11646	0.8
132.10164	37.3
143.11765	11.1
171.11333	0.9
180.16655	0.6
189.12326	3.7
199.12454	0.7
207.33954	0.7
211.20525	6.8
240.23137	5.0
268.22614	9.7
347.12903	0.7
399.30685	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	1.4
55.01803	0.6
55.05454	4.1
55.07850	0.3
56.04971	1.6
56.96493	0.6
57.03094	0.6
57.03369	12.3
57.07013	0.3
59.04948	0.5
60.04453	1.7
60.28413	0.3
61.02852	2.6
69.03346	4.4
69.06980	1.8
70.02847	0.3
70.06506	23.9
71.04904	78.8
71.06835	0.8
72.08065	8.8
73.02840	3.3
74.05994	0.8
75.04388	5.5
76.02142	0.5
78.07522	0.3
79.05400	0.4
81.03333	1.6
83.04894	9.9
83.06007	1.6
84.04411	5.3
84.08062	15.1
85.02821	100.0
85.08398	0.6
86.03141	0.4
86.05978	0.5
86.09618	12.0
87.04377	1.8
87.05512	0.7
87.09967	0.5
88.03911	0.8
91.05407	1.5
93.04425	0.6
93.06967	0.5
95.04889	0.4
97.02804	5.2
98.05971	1.5
98.97458	0.4
99.04373	1.9
101.05950	0.5
101.07014	0.3
102.05465	1.6
102.35164	0.4
103.03864	0.4
103.05391	0.7
105.06928	0.4
107.04867	0.6
109.02808	1.8
109.97759	0.3
110.05953	0.4
110.07107	13.8
111.04394	5.3
112.08658	0.5
116.07024	2.2
116.34026	0.3
116.98517	0.5
120.08060	3.2
126.05428	0.8
127.03868	5.3
129.05423	25.4
129.10176	9.1
130.04921	0.5
130.08629	0.4
131.04849	0.7
136.07526	2.0
136.10655	0.3
137.05885	0.8
145.04930	4.1
146.05927	0.4
147.06496	10.8
163.05945	1.6
164.09105	3.4
165.07541	0.5
177.00528	0.3
181.04865	0.6
185.16451	0.4
193.12415	0.4
195.11230	0.6
206.02045	1.4
223.07472	0.5
224.03038	0.4
226.11771	0.4
237.13109	0.7
239.05305	1.6
255.08453	1.5
257.13861	0.8
273.09576	0.8
309.11505	1.9
339.08417	0.6
371.11127	2.6
383.11111	0.5
401.17572	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00237	0.6
53.03874	0.9
54.82090	0.8
55.01807	0.5
55.05450	0.6
56.04974	0.9
57.03104	1.0
57.03374	26.9
59.04937	6.1
60.04445	3.1
60.60365	0.6
61.02850	5.6
69.03352	73.2
70.03677	0.7
70.06522	7.1
71.04913	1.5
72.08054	3.2
73.02823	3.9
75.04400	4.9
79.46445	0.6
81.03355	5.9
84.04395	1.6
84.08054	4.3
85.02831	100.0
86.03135	0.7
86.09617	3.9
87.04398	49.0
91.03870	3.7
95.08500	1.0
97.02828	60.0
99.04383	5.3
100.11141	0.8
103.03885	1.1
105.34164	0.8
109.02859	5.0
110.07149	1.7
115.03078	1.5
115.03887	44.1
115.92760	0.7
120.08060	1.6
122.06039	0.7
123.04350	0.9
127.03882	14.1
129.10211	2.8
130.10530	0.7
133.03929	1.4
133.04938	39.6
145.04944	17.2
150.07587	3.4
163.06013	7.6
251.14934	2.7
259.08008	1.6
271.99078	0.8
277.09085	0.9
295.10233	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	400.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81796	1.0
55.05448	13.4
56.04973	1.0
57.07003	6.4
58.06527	1.5
60.21943	0.8
61.46012	0.7
62.47877	0.8
67.05428	1.0
67.42542	0.8
69.06979	7.5
70.06499	15.2
71.08531	1.0
72.04425	68.5
72.99786	1.7
74.50085	0.7
76.47077	0.8
82.23924	0.9
83.08539	1.9
88.02131	100.0
88.07540	22.6
90.97530	0.9
95.08533	1.2
97.02802	1.3
102.09121	10.8
150.11221	2.0
163.11153	4.1
179.08861	1.1
182.06332	1.5
191.51266	0.9
196.21805	0.8
201.79900	1.0
222.13100	1.0
238.12534	1.8
250.12596	4.7
309.90094	0.9
338.34039	25.6
344.16342	6.6
382.37012	1.4
399.30713	33.4
399.75809	1.0
400.23206	9.8
400.31024	24.6
400.37668	53.3
401.26407	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	400.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05219	1.6
55.05455	22.1
55.22038	0.8
56.04979	1.0
57.07014	6.8
58.06528	2.1
63.79392	0.8
67.05435	0.9
69.03372	0.9
69.06986	17.4
70.06512	33.1
71.08541	1.9
72.08074	1.9
74.05988	1.7
77.53706	0.8
79.53405	0.9
81.06971	1.3
83.08549	8.7
84.08056	1.0
88.07558	52.4
88.08105	1.7
89.88784	1.0
95.08571	1.1
97.10093	2.2
102.09106	21.5
118.70835	0.9
132.10176	5.5
146.11688	1.1
150.11290	2.2
297.19357	1.0
335.34109	1.0
338.34088	55.1
339.34299	4.3
345.88589	1.0
382.36722	4.8
400.31476	5.6
400.37772	100.0
401.38199	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	401.1215
Annotation	4'-Demethylepipodophyllotoxin
Peak:m/z	Relative Intensity
51.15662	1.6
54.81530	2.1
55.01807	2.5
55.05434	9.3
56.04960	11.6
56.96479	3.6
57.03366	2.7
60.04420	2.1
69.03333	11.0
69.06979	7.7
70.06143	3.5
70.06509	85.5
71.06806	4.1
72.08066	56.2
74.05968	4.1
79.05370	2.6
81.03325	4.0
81.06960	4.2
82.02855	2.5
83.05983	3.5
84.04410	17.0
84.07588	2.7
84.08064	52.5
85.02803	12.8
86.09619	80.2
88.03902	8.7
91.05387	9.4
92.10931	2.2
93.06979	2.7
93.27425	2.0
96.08080	1.9
97.02823	2.5
98.97509	3.1
103.05368	2.9
105.06977	10.7
107.04875	2.5
107.08511	9.3
109.10078	2.6
110.07101	39.8
111.07413	1.9
112.08636	3.4
116.07034	4.6
116.98559	2.3
117.23186	1.9
120.08050	18.1
121.08346	3.6
121.10075	3.0
127.03954	3.1
127.04977	11.9
129.10201	23.1
130.06554	2.9
130.08546	3.4
131.04852	9.0
131.08530	2.5
132.08073	2.7
133.10007	2.5
135.07927	2.8
136.07582	3.6
137.05933	4.4
137.09529	1.9
143.11720	4.8
144.08067	2.1
145.04976	2.1
145.06122	1.9
146.03581	7.7
149.05949	2.4
149.09601	4.1
159.09151	4.9
160.77859	2.2
161.05930	14.0
165.01907	2.5
165.07034	3.1
169.04831	2.1
169.10718	2.0
177.06900	2.1
178.07716	3.0
181.06448	2.0
185.16481	3.3
191.06961	3.0
194.07347	3.2
195.08003	7.9
201.05400	4.1
203.07011	3.7
205.06340	4.4
206.07222	3.3
207.06427	2.5
209.09268	2.7
222.06735	4.8
223.07475	8.5
225.05478	2.4
233.05974	3.6
234.06621	4.7
235.05978	8.7
237.05278	2.6
239.07028	3.9
239.16434	3.7
243.45302	2.1
249.05392	4.0
250.06134	2.5
251.06868	9.4
258.15762	2.5
261.05463	2.3
262.06158	9.7
265.04880	4.1
267.06384	3.1
269.07623	2.2
275.08005	2.6
278.05399	4.0
279.06522	21.0
280.07239	2.2
281.04181	2.4
283.09601	10.2
286.15720	2.5
295.05875	8.3
296.06534	4.6
297.07370	3.2
304.07101	2.3
307.05826	3.1
308.06744	3.3
311.09045	12.4
315.12189	2.8
322.08218	2.9
323.09027	15.6
324.06094	4.3
339.08606	23.6
340.08829	2.7
351.08569	31.2
353.09824	8.7
356.08713	2.4
371.11139	100.0
383.11017	16.2
401.11823	23.8
401.17511	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39710	1.1
53.63217	1.1
55.01799	1.6
56.89179	1.1
56.96469	1.2
63.79919	1.2
73.11246	1.3
79.05382	3.4
91.05404	11.6
95.04887	3.3
97.06402	1.3
102.04705	1.8
103.05399	7.2
105.06980	24.3
107.04881	7.3
109.06445	1.4
115.05405	8.4
116.06200	1.5
118.04059	2.2
119.04885	22.2
121.06429	2.0
123.04352	6.5
123.07986	1.9
131.04857	8.6
133.02806	29.0
133.06462	29.4
135.04391	1.6
135.08012	2.1
137.05945	10.7
147.04382	43.9
147.08000	2.2
149.02322	1.3
151.07492	9.0
161.05896	12.7
162.06665	1.7
163.03865	13.1
163.07512	7.6
165.05402	17.1
165.09079	2.0
167.06975	1.8
178.06248	5.3
179.03317	6.0
179.06990	24.3
193.08551	17.3
194.09341	100.0
195.09984	3.2
207.02844	2.6
208.03638	4.9
209.04384	2.3
216.85989	1.2
223.05928	9.2
299.84061	1.5
401.12183	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	401.1567
Annotation	N-Monodesmethyldiltiazem
Peak:m/z	Relative Intensity
51.78194	0.5
53.32024	0.7
55.05450	1.1
56.96495	1.1
65.80148	0.6
69.03349	2.6
69.06961	0.8
69.98337	0.6
70.06510	9.3
72.08066	5.4
73.83563	0.6
79.05429	0.7
80.34300	0.6
81.06972	1.0
83.04901	7.4
84.04412	0.9
84.08070	3.7
85.02853	1.2
86.09628	9.0
91.05404	0.7
92.10891	1.3
93.06963	1.5
95.08538	2.7
98.97497	0.9
105.06985	0.7
107.08544	0.8
110.07146	1.7
112.08681	0.9
116.98557	0.7
119.08504	1.1
120.08051	1.7
129.10228	1.5
137.05917	0.8
137.09590	1.7
145.10086	0.9
163.11284	0.9
183.03246	1.0
203.14311	0.9
204.07587	5.8
221.15359	4.9
223.05907	0.7
257.06912	2.9
271.08670	0.8
299.07959	4.7
401.15662	100.0
401.28757	2.5
402.16147	2.9
411.08423	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1566
Annotation	N-Monodesmethyldiltiazem
Peak:m/z	Relative Intensity
55.05444	1.5
55.61657	0.5
56.04964	0.6
56.96490	1.2
56.99677	0.7
65.01232	0.5
67.05415	0.8
67.52707	0.5
69.03328	1.0
69.06979	1.0
70.06506	10.5
71.01974	0.6
72.07716	0.6
72.08070	5.6
72.08403	0.6
74.49849	0.5
76.56283	0.8
81.06967	2.6
83.04893	1.2
84.04420	1.3
84.08061	8.9
85.02831	0.9
85.06470	1.1
86.09621	14.9
88.03905	1.1
91.05382	0.9
93.06975	1.2
97.02741	0.8
97.06480	0.8
103.96989	0.6
105.07025	0.8
107.08534	1.0
109.06498	0.8
110.07120	1.6
116.98544	1.0
119.08532	1.5
120.08041	3.8
121.10126	1.4
129.10205	3.8
136.07501	1.1
137.05971	1.0
137.09566	1.1
143.11771	1.4
152.99435	0.7
159.09137	0.8
189.05208	1.3
201.04350	1.0
204.07524	6.4
211.90178	0.9
221.15344	3.2
239.05968	1.1
239.16489	0.9
257.07001	1.4
299.07986	3.5
326.97049	0.8
383.14740	0.9
401.15652	100.0
402.15927	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	401.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07304	0.1
60.23541	0.2
63.73165	0.1
64.47912	0.2
69.07069	0.2
77.17780	0.1
85.08044	0.2
86.09624	1.1
87.09929	0.2
94.03970	0.9
104.07053	0.3
119.03498	1.7
133.10472	0.2
136.06161	100.0
137.03658	0.2
137.04581	1.6
137.06650	1.1
141.51057	0.2
150.66563	0.1
257.37003	0.2
276.34039	0.2
323.26474	0.2
399.61658	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	3.2
53.35384	2.3
53.93551	2.5
55.05448	12.3
57.03371	4.6
57.07015	100.0
57.43489	2.3
58.79592	3.1
60.43400	2.6
61.33420	2.8
62.43629	2.7
67.05434	27.0
69.03345	5.8
69.06985	20.0
71.08549	66.3
75.30943	2.7
79.05421	3.2
81.03336	14.8
81.06986	31.8
83.08517	15.7
85.02797	3.7
85.10103	31.1
91.05415	7.4
93.06915	4.3
95.08532	46.4
96.08784	3.1
97.02821	88.8
97.10113	7.8
99.04397	12.6
99.08096	2.9
109.02811	19.2
109.10097	21.3
123.11666	6.5
127.03861	22.7
129.45039	2.9
165.36221	3.0
205.06985	3.3
239.23712	45.7
267.03384	7.2
396.63257	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	402.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05458	0.8
57.03398	0.9
59.72368	0.8
69.03358	1.0
70.06499	5.8
71.76539	0.9
72.08051	5.1
73.02825	1.2
84.04416	2.1
84.08051	4.0
85.02832	4.2
86.09625	3.7
87.25082	0.8
97.02805	1.3
98.97541	0.8
109.02786	1.1
110.07101	0.9
118.06488	5.2
118.64214	0.8
129.10216	1.1
132.08098	1.3
134.99646	1.0
144.08044	1.6
146.05974	15.3
159.09181	1.2
170.05930	1.6
188.07016	14.2
198.18570	1.7
205.09731	4.5
243.08379	1.5
253.64792	0.9
263.96277	0.9
264.74167	0.9
270.09381	2.1
276.69223	0.9
317.08298	9.8
344.09494	4.4
375.12521	37.8
402.13608	100.0
403.14008	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00264	0.2
53.03891	0.3
55.05449	1.4
56.04979	2.1
56.05207	0.3
56.96481	0.2
58.06547	0.3
60.04446	2.1
60.05571	0.3
61.01073	0.4
64.33554	0.2
67.05418	0.2
67.89790	0.2
68.04938	0.3
69.03339	0.5
69.06986	1.5
70.02869	0.3
70.06506	13.2
71.04881	0.2
71.06828	0.8
72.08064	6.9
73.02812	0.3
74.05991	2.2
75.69596	0.2
78.04603	0.2
78.06770	0.2
79.05402	0.9
81.03325	0.3
82.06483	0.3
83.04873	0.2
83.06025	0.3
84.03956	0.2
84.04424	5.5
84.08063	15.6
85.02826	1.7
85.08367	0.4
86.09624	18.1
87.04370	0.3
87.05508	0.4
87.09949	0.9
88.03899	1.8
91.05399	1.4
92.10368	0.3
93.04429	0.3
93.06946	0.3
95.04882	0.3
95.06022	0.3
96.08037	0.4
97.02811	1.0
97.07571	0.2
98.02338	0.3
98.05977	0.3
98.97475	0.3
99.04429	0.2
100.03885	0.2
101.07061	1.0
102.05458	1.8
103.05396	0.2
104.05282	0.4
107.04890	9.2
109.02825	0.3
110.07102	3.9
110.09617	0.2
111.07467	0.3
111.09137	0.3
112.08661	0.9
113.07044	0.3
115.08641	0.8
116.07037	2.5
116.98558	0.4
118.04086	0.2
120.08061	1.7
122.07150	0.3
123.04372	0.3
124.90105	0.2
127.03883	0.4
127.08694	0.2
129.09229	0.3
129.10191	7.5
130.04967	0.3
130.08583	0.4
133.06041	0.2
134.03574	1.0
135.04375	2.9
136.07539	1.3
138.09061	0.2
139.03874	0.3
139.08638	0.4
141.10167	1.0
142.16446	0.2
143.11792	0.3
145.03893	0.4
145.09706	1.2
146.99615	0.3
149.02299	0.2
156.10182	0.8
157.06020	0.2
159.11237	0.3
161.05812	0.2
162.03081	7.4
163.03857	7.3
167.07001	0.4
173.09172	1.0
173.12859	0.3
175.11827	0.4
179.03357	2.7
180.04175	0.5
181.09680	0.4
187.10782	0.3
189.07010	0.3
190.02562	16.4
191.03287	0.8
193.01230	0.8
194.02045	1.2
195.06483	0.8
196.10779	0.2
201.12337	3.1
207.02873	4.4
208.03624	11.7
209.04395	2.5
209.09119	0.2
223.05963	100.0
224.06242	1.4
226.11896	0.4
229.11780	0.2
253.16571	0.3
270.07870	0.2
286.17297	0.2
288.20221	1.0
354.10040	0.3
357.70273	0.2
371.11203	0.4
372.11475	1.2
401.28607	1.5
402.13422	0.5
402.28732	0.8
403.15619	1.5
410.70984	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81038	0.3
54.88484	0.3
55.05449	0.6
55.84359	0.3
56.04973	0.5
57.03387	0.5
58.06538	0.6
61.01097	0.5
61.02846	0.6
62.06016	100.0
67.41242	0.3
67.53449	0.3
69.03344	2.3
70.06497	2.8
72.08064	2.3
73.02829	0.4
81.03345	0.4
84.04421	0.4
84.08074	2.6
85.02818	3.4
86.09624	2.6
87.04398	0.5
91.05433	0.4
92.50899	0.3
95.04861	0.4
97.02805	2.5
104.05277	1.3
107.04886	0.6
108.79290	0.3
109.02832	0.4
115.03957	0.4
119.04928	1.3
120.83157	0.4
121.06471	0.8
123.04388	2.5
127.03917	0.6
129.10222	1.7
133.03152	0.4
133.04984	0.5
134.06000	0.8
145.04955	0.4
147.04402	0.8
150.05804	0.8
163.05901	0.4
165.05489	0.9
176.10635	2.7
194.11714	4.8
222.11121	0.4
240.12263	5.7
252.72964	0.3
289.03577	0.4
299.02026	0.4
392.22018	0.4
402.13593	0.7
402.24661	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	1.9
55.01797	2.8
55.05441	2.5
57.03366	12.5
59.04918	3.2
61.02851	8.5
62.92908	0.8
69.03342	39.7
69.38042	0.4
70.06496	3.1
71.04907	2.5
72.08063	3.5
73.02829	4.6
73.06467	11.7
75.04383	2.0
81.03333	5.9
84.04432	1.1
84.08069	3.0
85.02822	100.0
86.09618	3.3
87.04385	18.6
88.03900	0.4
89.93970	0.8
91.03896	4.5
93.79919	0.5
95.04889	0.5
97.02816	38.4
99.04375	4.1
103.03854	1.0
103.92365	0.5
104.01817	0.5
107.95032	1.0
109.02811	7.0
110.07102	2.0
115.03864	21.4
116.99403	0.5
120.08054	5.7
120.38936	0.6
123.04327	0.6
127.03876	19.1
129.10205	2.6
132.67853	0.6
133.04915	16.7
137.05876	0.6
145.04930	27.4
147.04408	0.9
148.98991	1.2
163.05954	11.0
166.08699	0.6
176.96049	0.6
192.20052	0.5
199.09708	0.6
216.45779	0.6
217.10663	0.8
223.11722	3.3
224.98096	0.7
251.98468	0.6
253.12796	8.7
283.02359	0.9
295.10114	0.7
310.03311	2.1
369.54446	0.6
375.12640	2.7
402.13553	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	402.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95039	0.8
51.46743	1.0
53.03883	2.0
55.01798	8.5
55.05219	1.4
55.05449	23.0
57.03369	5.3
64.33031	1.2
65.03842	1.8
67.05427	40.1
69.03338	1.4
69.06989	19.7
71.04890	2.2
79.05403	37.1
81.03326	4.5
81.06969	100.0
83.04896	5.8
83.08537	15.5
85.02819	1.6
85.06463	2.1
91.04832	1.2
91.05404	28.9
93.06432	1.8
93.06966	32.8
95.04884	11.9
95.08530	26.5
97.02806	1.5
97.06454	10.8
97.10058	2.1
99.04351	1.4
99.07997	1.3
100.60984	1.1
104.01558	1.1
105.06969	35.1
107.04887	13.6
107.08533	17.4
109.02795	2.4
109.06473	31.0
109.10102	12.5
111.08006	2.4
117.06960	11.4
119.08539	21.5
121.06445	7.2
121.10091	14.6
121.10873	1.6
123.08009	6.7
123.11613	4.7
125.09618	2.2
129.06909	2.4
131.08514	12.8
133.10106	16.3
135.08015	6.0
135.11650	6.8
137.09583	5.8
145.10107	11.1
147.08028	1.6
147.11670	14.2
149.09602	11.4
149.13202	6.9
151.11130	2.3
157.10092	5.1
159.11656	8.2
161.13232	2.7
163.11151	6.8
163.14799	1.5
165.12753	1.9
171.11588	1.7
173.13208	2.3
175.11130	4.9
175.14745	1.2
193.12148	1.3
229.19469	1.9
239.17958	1.4
257.18979	2.2
275.19989	39.5
293.20963	9.3
320.05194	1.2
349.23599	45.7
367.24698	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34931	0.5
53.00243	1.3
53.03876	1.5
53.32280	0.5
54.70860	0.6
55.01813	8.0
55.05450	21.1
57.03372	8.9
57.06997	1.2
57.19218	0.5
59.04922	0.9
65.03859	1.4
67.05079	1.4
67.05425	40.1
69.03338	4.3
69.06985	21.5
69.11536	0.6
71.04896	4.1
79.04955	1.4
79.05404	37.2
81.03342	5.4
81.06971	100.0
82.07274	1.0
83.04909	6.0
83.08537	14.2
84.08066	0.8
85.02818	1.8
85.06448	3.5
91.05404	32.4
93.06970	27.0
94.66595	0.7
95.01276	0.7
95.04881	13.4
95.07970	1.1
95.08534	23.5
97.02806	3.6
97.06444	8.9
97.10092	1.4
99.04391	1.4
99.08023	3.0
100.53323	0.7
105.06968	30.0
107.04884	11.8
107.08537	17.0
109.02842	1.0
109.06467	24.5
109.10110	9.5
111.07999	3.6
116.06116	0.7
117.06971	8.7
119.08525	19.7
121.06435	6.1
121.10091	11.5
123.08009	7.5
123.11653	6.4
127.03882	1.3
129.06960	3.2
131.08540	13.1
133.06422	1.1
133.10091	16.3
135.08017	4.7
135.11639	6.2
137.09579	3.1
139.11180	0.7
142.07709	0.8
143.08517	1.6
145.06490	0.9
145.10129	9.7
147.08037	0.8
147.11661	14.8
149.09648	6.8
149.13254	5.9
151.11169	1.6
155.08540	1.0
157.10095	3.7
159.11641	6.9
161.09660	0.7
161.13199	2.9
163.11136	6.7
163.14745	0.9
165.12729	3.1
171.11584	1.1
173.09583	1.3
173.13188	3.9
175.11127	3.4
177.12657	3.1
187.14674	0.8
191.14330	0.8
193.12273	0.9
197.13214	1.0
205.07047	1.1
229.19440	1.1
233.73764	0.7
239.17995	1.0
247.20444	1.3
257.18973	3.2
275.20001	29.4
284.82507	0.7
293.21100	8.6
349.23657	33.1
350.24072	1.0
367.24731	43.5
368.25046	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05913	0.8
52.91676	1.0
54.81518	0.9
57.06781	0.9
57.07017	17.1
58.02800	1.0
58.06532	2.1
69.03351	1.7
70.06510	30.3
71.08540	5.4
72.19373	0.9
77.88859	0.9
81.06994	1.0
85.02827	4.2
86.24739	1.0
88.07050	1.9
88.07556	41.7
91.05404	2.0
95.08540	1.1
95.80345	1.1
96.57874	0.9
97.02821	5.8
102.09118	20.8
109.02793	1.6
116.04572	1.0
121.06435	1.6
127.03833	2.2
132.10162	1.3
150.11250	2.0
161.10397	0.9
205.06969	1.6
283.26151	1.4
306.29602	1.0
340.35672	66.2
341.36142	2.0
384.38281	6.2
402.33725	6.2
402.39307	100.0
403.39691	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	403.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35909	1.3
55.01802	2.3
55.05452	2.1
65.03873	1.8
66.81862	1.7
67.05406	6.0
68.99701	2.0
69.03340	2.1
69.06994	1.9
70.06512	5.8
79.05399	7.2
81.03317	2.0
81.06959	2.7
83.04897	38.7
85.02821	3.0
86.09608	2.7
91.05433	12.4
91.25571	1.6
93.06989	2.1
95.04865	10.1
97.02799	3.1
100.11147	1.6
102.04610	18.2
103.05408	28.2
105.03336	2.7
105.06978	6.8
107.01270	11.6
107.04882	7.5
108.02091	1.6
109.02825	2.9
109.10101	3.4
111.04392	11.5
117.06924	2.1
119.04906	11.7
121.02808	3.9
121.06447	2.8
123.00741	1.5
123.04333	1.9
129.06918	1.8
130.04120	37.2
130.06512	6.5
131.04901	72.2
131.08488	2.5
132.05713	22.1
133.02818	7.7
133.06436	2.9
133.10072	1.9
135.04411	2.2
137.05957	4.0
137.09596	6.6
139.03891	34.2
145.06436	6.3
146.03522	2.2
147.04395	50.7
148.05211	3.1
149.02312	18.0
150.06750	3.5
151.03818	1.7
152.01022	3.5
157.07576	8.7
158.05989	3.4
161.05942	8.2
162.06735	54.0
163.07510	14.6
165.01709	2.9
165.05379	1.8
165.09161	2.1
167.03380	35.7
167.07014	22.7
171.04422	3.3
175.08612	3.6
177.01816	26.8
179.03313	6.6
180.00505	13.1
181.05005	2.3
181.06468	8.3
181.08530	2.3
195.02873	40.4
197.05922	1.8
204.07808	2.6
209.05971	3.5
221.05966	1.8
221.09319	2.0
223.02325	100.0
223.07390	2.3
224.02579	1.7
225.03712	3.3
231.10196	2.6
236.04610	2.5
237.05499	11.1
259.12091	2.2
265.04901	17.0
293.04202	8.6
310.04633	2.0
321.03812	9.2
335.05331	2.2
338.04144	2.6
353.06491	40.5
354.06885	1.9
385.09219	18.1
385.16785	2.1
403.06110	1.5
403.10269	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	403.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	0.6
55.01805	2.9
57.03359	1.2
59.09457	0.6
64.33561	0.6
65.03847	0.9
66.04649	0.6
67.05414	0.6
67.32166	0.6
79.05401	11.8
81.06950	0.9
91.05393	11.1
92.06184	1.0
93.06965	1.2
95.04886	4.4
103.05388	10.8
104.06161	2.4
105.06964	52.0
107.04893	8.2
109.06445	2.6
111.04428	0.9
115.05379	3.1
117.06950	0.6
118.04095	8.2
119.04888	2.9
120.05650	3.3
121.06493	6.6
122.07224	3.0
123.08012	0.8
124.05122	1.0
131.04886	2.9
132.05676	3.8
133.06447	41.8
134.07195	2.7
135.04318	4.2
135.08022	6.6
137.05943	15.9
139.03896	0.6
147.08038	0.8
148.05133	4.2
149.06000	2.3
150.06725	19.7
151.07497	0.7
154.06187	4.5
161.77341	0.7
163.07486	0.6
165.09058	36.7
167.07045	0.7
175.01500	0.9
177.05496	0.7
178.06203	2.8
179.06993	4.1
181.04898	3.9
181.08537	4.1
192.07825	0.7
193.08553	100.0
194.09300	5.5
209.08076	2.4
210.08801	4.1
221.11569	0.7
269.38928	0.7
278.34534	0.6
394.31320	0.7
415.82645	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78908	0.9
59.25600	0.7
63.08965	0.8
63.18498	0.7
65.03873	7.2
66.95751	0.7
67.05421	2.1
82.04108	3.6
85.02830	6.3
93.03340	1.5
95.04904	1.4
95.08539	1.4
97.06503	1.5
108.02036	1.4
110.03614	4.6
111.04414	3.2
120.24483	0.9
125.05998	1.0
138.03065	3.0
164.30281	1.0
171.06544	8.6
181.04922	100.0
182.05270	1.6
189.08997	1.1
406.49002	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64536	1.8
55.05450	18.2
56.04964	7.2
56.96488	8.0
57.03377	3.2
60.04440	7.6
67.05415	4.1
69.03342	19.0
69.06973	12.6
70.06139	2.7
70.06506	69.7
71.04919	2.3
72.08063	33.5
74.05978	7.3
76.02116	3.2
79.05375	8.4
81.03314	2.4
81.06961	14.0
83.04907	3.1
84.04401	15.5
84.08061	47.2
85.02812	18.3
85.08395	2.2
86.09626	64.6
88.03918	4.6
91.05401	14.1
93.06950	20.2
95.04933	5.5
95.08522	21.6
97.02805	2.5
97.06390	1.9
98.97488	2.9
102.05458	7.2
103.05405	4.4
105.06979	14.5
107.04889	3.0
107.08530	43.6
109.05795	1.9
109.06477	11.8
109.10078	13.5
110.07108	25.7
111.08051	2.2
111.09225	1.9
112.08678	2.7
115.05368	3.8
115.08598	3.0
116.98582	3.8
117.06949	3.4
119.08527	25.2
120.08028	17.7
121.06442	12.7
121.10092	17.4
123.08017	55.1
125.09547	4.2
129.10188	27.3
130.06425	1.8
131.04916	7.5
131.08490	4.3
131.42673	1.9
133.10074	15.6
135.08022	29.2
135.11641	32.1
136.07529	9.4
137.05952	4.1
137.09587	100.0
139.07497	2.9
142.06602	2.4
143.11748	2.8
147.04288	2.3
147.07928	1.9
149.05965	2.0
149.13245	23.7
151.07512	3.5
156.07664	2.0
157.10094	2.3
159.11655	38.7
161.05913	2.7
167.06970	3.1
170.05989	8.9
177.12692	99.9
185.09335	1.7
195.13753	60.0
201.53854	2.4
205.10272	1.8
205.12134	13.8
206.21895	1.8
223.13237	33.2
225.09258	2.4
241.14316	19.0
250.14690	2.1
341.19269	7.2
403.12021	3.1
403.19101	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	403.255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97666	0.2
55.05445	0.4
56.04971	0.9
56.96512	0.2
57.03380	0.5
60.04466	0.4
67.05443	0.2
69.03352	2.5
69.06989	3.8
70.03689	0.2
70.06510	3.1
70.07342	0.2
72.08080	1.7
74.05990	1.4
75.05520	7.1
79.05412	0.2
81.06966	0.4
83.08544	0.3
84.04430	1.2
84.08069	2.7
85.02827	2.8
86.09627	100.0
87.03256	0.2
87.04408	1.1
87.05531	0.3
87.09968	1.1
91.05395	0.3
93.06980	0.5
95.08536	1.4
97.02834	0.9
97.06493	0.3
98.97501	0.9
99.55221	0.2
101.07111	0.2
102.05484	1.2
105.06969	0.5
107.08534	0.8
110.07105	1.0
114.33266	0.2
115.03851	0.2
116.16895	0.2
116.98557	1.1
119.08523	0.3
120.06523	2.5
120.08053	0.8
121.06419	0.3
121.10114	0.3
123.07987	0.8
125.09616	0.3
129.10208	1.4
130.04965	1.0
131.04909	0.2
134.99681	0.4
135.11678	0.2
135.46747	0.2
136.07590	0.3
143.11777	25.6
149.05978	0.3
149.09567	1.2
159.09169	0.3
161.01170	0.3
161.09557	0.3
161.13194	0.3
167.07024	0.4
171.11249	6.2
173.12820	1.0
189.12671	0.3
201.12218	0.3
203.13855	0.5
205.12234	1.2
207.13727	0.5
215.13907	3.5
223.13287	1.8
233.14923	9.1
237.02788	0.9
239.17548	1.0
275.86981	0.2
284.19644	2.9
307.10724	0.8
308.11090	0.3
315.59274	0.2
328.22333	0.2
377.60306	0.3
385.24451	2.6
386.74414	0.2
422.14139	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69855	5.2
55.05443	12.9
55.56514	5.8
60.77349	6.1
63.48533	4.9
67.05415	37.4
67.99786	4.6
69.06991	28.1
70.66766	5.8
79.05401	13.8
81.06981	57.1
83.08530	7.9
86.09602	6.4
93.06964	53.7
95.08534	75.5
96.98038	5.2
105.06931	9.2
107.08570	42.2
109.10102	56.0
119.08533	8.3
121.10098	35.0
122.72743	6.1
123.11639	13.0
129.01816	8.2
131.82501	6.0
135.11664	22.7
135.42969	6.5
149.13222	9.5
165.09056	8.4
306.06332	6.2
325.70743	6.8
385.27057	6.0
403.28201	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38387	0.5
51.53803	0.4
51.70063	0.4
53.49944	0.5
54.81608	0.6
57.03370	6.4
58.10834	0.5
59.04928	0.7
61.02851	0.9
62.06013	2.9
65.03867	3.6
67.05418	0.5
67.48861	0.4
69.03342	14.6
70.32107	0.5
73.02837	0.8
73.70428	0.6
75.00351	0.6
75.04382	0.6
81.03296	0.7
81.96056	0.5
84.07993	0.7
85.02821	18.4
86.19396	0.5
87.04385	7.2
92.04925	63.0
93.05721	6.5
94.06486	9.6
97.02816	6.1
99.04374	0.7
110.05984	100.0
110.07066	6.5
111.05602	0.6
111.06329	0.6
115.03894	2.8
127.03907	0.7
130.85591	0.6
133.04872	0.7
136.06157	7.4
136.07123	0.6
136.07597	0.8
152.07005	3.0
156.07674	2.7
182.07922	0.7
242.11224	1.2
243.83397	0.5
254.10184	3.0
272.11212	56.0
274.34583	0.5
404.15475	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	404.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18210	1.3
55.01812	20.7
55.05444	21.8
55.41270	1.2
56.96277	1.3
56.96500	23.3
57.03365	7.0
57.06999	2.5
57.58225	1.2
67.05076	1.6
67.05424	35.2
69.06972	10.0
71.08548	13.9
71.40451	1.3
79.05401	18.3
81.03339	2.2
81.06969	33.1
83.04887	6.7
83.08530	16.6
85.06429	1.8
85.10080	3.5
91.05402	18.2
93.06969	21.4
95.04891	6.6
95.08510	18.9
97.06450	3.5
97.10085	2.5
98.97506	72.8
99.08009	6.9
105.06953	13.0
107.08510	12.7
109.06459	2.0
109.10130	12.7
111.08015	17.2
113.09585	6.5
116.98562	92.0
117.06948	2.1
119.08533	10.1
121.10084	7.1
122.03589	7.0
123.07970	2.3
123.11652	2.8
131.32530	1.4
133.10046	12.5
134.99608	70.7
135.11664	1.9
137.05945	66.0
145.10045	2.4
147.11647	14.3
149.09581	5.4
149.13225	2.8
151.11139	7.2
153.00691	13.5
158.01172	1.5
161.13283	2.8
163.11133	1.9
165.12744	10.2
171.11658	1.7
175.11157	1.8
175.14761	1.7
179.00024	1.6
179.14314	2.7
197.01204	3.2
207.13843	1.4
211.02754	1.9
226.11089	19.9
229.14333	6.6
235.02699	32.0
238.01555	3.0
242.10672	1.5
244.12186	18.9
253.03763	100.0
261.15790	1.5
271.04822	7.9
277.21548	26.0
283.66238	1.5
295.22513	2.6
303.90118	1.5
315.17493	1.4
344.15131	2.8
344.88571	1.4
348.72076	1.4
351.25253	31.3
369.26257	45.0
404.17307	70.8
404.22754	2.2
405.17581	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	404.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06015	100.0
69.03345	0.6
77.64999	0.4
92.04944	0.7
110.05987	2.3
110.07100	0.7
114.37443	0.5
161.88231	0.5
197.57774	0.6
237.88893	0.6
238.94514	0.5
272.11151	1.1
278.45166	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81229	0.4
56.30110	0.3
57.03377	0.7
62.06018	100.0
63.01906	0.4
64.97836	0.4
66.04174	0.5
69.03349	2.7
70.06509	1.0
71.10715	0.4
80.35942	0.4
85.02829	3.8
87.04424	0.6
92.04929	9.8
92.10281	0.5
93.05751	0.6
94.06524	1.8
97.02829	0.7
110.05996	15.8
110.07153	2.7
147.40932	0.4
156.07669	1.8
165.74004	0.4
187.46129	0.5
240.55791	0.4
242.11435	0.6
272.11154	8.7
352.61267	0.5
358.57306	0.6
373.86176	0.5
404.10132	1.5
404.15485	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	404.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	0.9
55.01805	0.9
55.05441	3.8
57.03365	4.0
61.02843	3.3
65.02324	0.5
67.05428	4.4
69.03005	0.9
69.03351	18.8
71.04914	0.9
79.05402	4.9
81.03333	2.5
81.06968	1.3
83.04904	8.0
83.08492	0.6
85.02837	6.0
87.04389	1.1
91.05410	5.5
93.06968	35.5
94.07285	0.6
95.04872	2.5
95.08538	1.3
99.04407	0.9
103.05373	1.3
105.06973	100.0
106.07309	0.8
109.10091	3.0
111.04382	3.5
111.67712	0.6
114.23254	0.7
119.04912	3.0
119.08612	0.6
121.06458	36.9
129.05412	3.8
147.06493	3.0
164.53035	0.6
197.05949	0.6
229.14320	2.4
267.12323	2.3
365.46945	0.7
387.17834	3.0
414.74417	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03873	1.7
55.01799	1.2
55.05446	8.4
56.04960	4.0
57.03366	1.6
57.06994	1.9
60.04435	4.0
61.02850	1.8
64.46680	0.8
65.03864	0.9
67.05422	6.4
69.03346	10.6
69.06988	9.6
70.06148	1.2
70.06508	25.0
71.04906	24.0
72.08066	20.8
73.02798	1.1
73.03884	0.9
73.06434	0.9
74.05979	3.7
79.05406	13.4
81.03320	1.6
81.06969	29.7
83.04897	1.5
83.08503	1.0
84.04418	12.2
84.08060	19.0
85.02831	17.7
85.06453	4.4
86.09155	1.0
86.09629	17.5
87.04356	1.1
87.09956	1.5
88.03867	1.0
91.05404	16.5
93.06969	21.4
95.04882	4.9
95.08532	19.2
97.02810	3.5
97.06455	15.2
98.05962	1.0
99.04391	4.6
99.08046	1.0
101.07049	1.7
101.57675	0.9
102.05465	1.1
103.05391	0.9
105.03336	9.1
105.06969	38.4
107.08533	38.3
109.06470	6.8
109.10090	6.9
110.07093	5.9
111.08020	19.9
113.07069	0.9
115.08615	1.4
117.06960	4.9
119.04883	1.1
119.08531	39.9
120.08093	6.2
120.13340	0.9
121.06449	4.3
121.10087	22.3
123.08034	15.7
123.11662	1.5
125.09565	3.4
126.05376	1.6
127.03883	1.2
128.06192	1.1
128.10681	1.0
129.06886	1.6
129.10234	6.4
130.06427	1.0
131.04869	0.9
131.08492	4.1
133.06456	1.4
133.10085	17.6
135.08026	22.9
135.11653	18.4
136.07527	2.1
137.05956	1.4
137.09579	6.6
139.07495	1.8
142.07768	1.0
143.08524	8.0
145.10095	13.7
146.05994	1.6
147.07976	7.8
147.11658	37.3
149.09546	16.2
149.13228	3.5
151.11160	1.1
153.09145	1.1
156.09297	4.6
157.03433	0.9
159.09030	0.9
159.11659	10.9
161.09557	4.9
161.13223	12.9
163.11102	4.9
165.09068	3.3
165.12721	15.5
167.06960	1.8
167.10634	29.0
171.11632	7.3
173.12840	6.8
177.12709	15.4
179.07018	1.8
188.07011	3.9
189.09050	0.9
189.12675	14.4
195.13759	17.7
201.12279	1.2
205.09561	1.2
207.13766	29.1
225.14809	100.0
226.15178	1.4
308.88058	0.9
405.17603	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	0.5
53.07224	0.4
55.01807	0.5
55.05440	2.6
57.07012	4.1
59.04936	0.8
61.02861	0.4
65.03859	0.6
67.05425	16.7
69.03337	2.6
69.06981	0.8
70.06501	3.7
70.74526	0.4
71.04904	0.5
72.08064	3.5
79.05426	0.7
81.06968	3.1
83.04903	1.8
83.08524	0.4
84.08056	2.6
85.02816	1.9
85.06465	10.8
91.05394	2.9
93.06966	5.6
95.04873	1.9
95.08530	100.0
96.08864	2.9
97.02818	0.7
105.06969	5.3
107.08539	7.4
107.76068	0.4
109.06470	2.4
109.10101	0.9
112.08691	0.7
112.82774	0.4
113.05943	7.2
118.68140	0.5
119.08531	15.3
121.06433	0.8
121.10102	6.3
123.08016	32.5
123.11638	3.4
124.08364	0.8
129.10207	0.6
131.08527	0.9
133.10086	1.8
135.08022	0.6
135.11656	12.9
137.09596	1.1
139.07512	0.7
146.05954	0.8
147.08018	0.9
147.11664	4.1
149.09586	18.5
151.07516	1.0
151.14757	3.6
159.08020	0.6
161.13237	6.6
163.11151	3.9
165.12711	6.4
171.11716	0.8
174.10341	1.0
179.14314	0.9
189.12701	6.2
195.11122	0.7
207.13763	44.5
208.14099	1.0
225.14795	3.9
227.15977	0.5
254.16121	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51751	0.4
53.00897	0.4
53.03881	0.5
54.81620	0.4
55.01812	1.1
55.05273	0.4
55.05450	6.3
56.04966	0.6
56.96487	0.4
57.03356	0.9
59.04640	0.8
59.04934	21.9
60.04462	0.5
61.02855	0.8
64.33331	0.6
64.37633	0.4
65.03856	0.9
67.05425	8.6
69.03341	6.3
69.06982	4.9
70.06506	11.6
71.04900	0.7
72.08067	4.7
75.38067	0.5
79.05407	7.5
81.03329	2.0
81.06977	6.7
83.04893	2.8
84.04414	3.4
84.08064	7.6
85.02821	8.7
86.09619	9.4
87.04388	0.5
91.05401	12.2
93.06966	17.1
95.04893	7.3
95.08527	7.8
96.04424	0.5
97.02787	2.4
97.06450	2.3
101.05950	5.4
103.05377	1.2
105.06974	24.1
107.04906	2.2
107.08536	56.0
109.06464	20.1
109.10111	15.3
110.07104	3.4
111.04356	1.0
111.08071	1.7
115.05354	0.6
115.08772	0.4
116.07059	0.6
117.06967	0.5
119.04918	0.7
119.06002	0.5
119.08530	22.0
120.08058	2.4
121.06451	5.9
121.10111	6.9
122.07226	2.9
123.08016	41.0
123.11618	0.5
125.05909	1.0
125.09601	3.0
127.03823	1.0
129.10188	3.1
131.08511	2.6
133.06471	3.3
133.10097	7.4
135.08020	15.9
135.08957	0.9
135.11658	9.8
136.07526	1.0
137.09587	100.0
138.09908	2.0
143.08551	2.1
143.11696	0.7
145.05008	0.6
145.10089	3.0
146.30888	0.5
147.08051	3.0
147.11665	14.3
149.09601	4.1
151.07521	3.5
153.09068	11.0
156.09329	2.7
159.11678	2.1
161.09538	2.1
161.13211	11.6
163.11047	1.8
165.12657	0.6
167.06943	0.9
171.11693	3.7
174.10257	0.7
177.12740	2.2
189.12697	11.0
207.13763	18.0
225.14806	8.2
275.04486	0.5
279.69510	0.5
283.29602	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	0.2
55.01809	0.3
55.05438	0.7
56.04986	0.2
56.96489	0.1
57.03357	0.2
59.04914	0.2
61.02853	0.3
62.00979	0.1
65.03868	0.2
67.05421	1.8
68.58316	0.1
69.03345	1.8
69.06976	0.8
70.06509	3.9
71.04907	0.7
71.06809	0.1
72.08073	1.3
79.05402	0.7
81.03330	0.8
81.06966	1.2
83.04899	2.9
83.08544	0.3
84.04393	0.3
84.08078	1.7
84.44922	0.1
85.02826	5.3
86.09618	1.8
87.04388	0.2
88.03967	0.1
91.05393	0.8
92.10820	0.2
93.06973	1.3
95.04893	1.4
95.08530	4.1
97.02808	1.3
97.06459	1.6
99.04379	0.2
99.08022	0.3
102.05471	0.2
103.05392	0.3
105.06986	1.6
107.04880	0.2
107.08545	1.7
109.02838	0.3
109.06461	2.2
109.10104	0.2
110.01443	0.2
110.07120	0.3
111.04391	0.8
111.08015	0.3
116.07094	0.1
117.06908	0.3
119.08509	1.5
120.08037	0.6
121.02760	0.1
121.06487	1.1
121.10094	5.5
123.08018	100.0
124.08328	1.7
125.09527	0.3
126.28329	0.1
127.03869	0.7
129.10210	0.6
131.04832	0.3
131.08560	0.2
133.06493	0.2
133.10056	1.0
135.11639	1.0
137.05930	0.3
137.09578	0.8
145.04930	0.3
145.10109	0.9
147.11664	0.8
149.09590	2.1
151.11150	3.4
161.05963	0.2
161.09586	0.7
161.13263	0.6
163.11159	1.8
165.12718	0.3
167.07048	0.2
167.10648	3.1
181.12195	4.4
189.12738	0.7
207.13785	2.4
225.14812	10.0
226.15147	0.3
330.38196	0.2
411.45831	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81688	2.8
55.01819	41.4
55.02076	3.9
55.05456	48.8
56.96499	6.2
57.03370	19.4
57.07007	13.2
65.03880	2.3
67.05431	68.3
69.03329	4.4
69.06985	24.6
71.04910	4.8
71.08547	31.0
71.71262	2.9
71.72857	2.3
75.89041	2.2
79.05407	42.8
79.74047	2.1
81.03345	4.4
81.06976	78.6
83.04906	16.9
83.08547	36.1
85.06470	9.7
85.10103	19.0
85.30375	2.4
91.05408	49.6
91.52441	2.6
93.06970	42.7
95.04915	10.7
95.08529	34.2
97.06459	18.4
98.97497	32.6
99.08016	15.0
105.06972	26.9
107.04906	5.7
107.08540	21.2
109.06469	14.3
109.10094	20.6
111.08033	38.9
113.09605	11.5
116.98563	40.9
119.08553	25.2
121.10094	16.5
123.08055	3.6
123.11674	6.1
131.08510	11.0
133.10068	21.0
134.99635	23.2
135.11687	5.3
137.05960	30.5
139.11125	4.7
145.10075	3.0
147.11617	24.7
149.09554	10.3
149.13240	10.5
151.11168	11.9
157.10139	2.7
161.13290	8.7
163.11113	4.7
165.12726	27.1
171.11681	2.6
175.11176	4.8
179.14191	4.7
181.04924	17.9
182.05322	15.7
189.16196	2.3
190.54622	2.9
226.11125	5.8
231.21104	3.2
235.02769	11.8
244.12198	4.4
249.22000	9.0
253.03827	45.3
259.20544	3.8
275.95746	2.5
277.21561	53.7
295.22656	13.5
351.25278	68.9
369.26270	100.0
380.88287	2.7
404.17249	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	404.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01802	26.8
55.05451	77.0
55.22180	5.2
56.96504	6.7
57.03370	22.8
57.07008	10.6
67.05423	83.9
69.06984	80.8
79.05421	49.5
79.05798	6.2
81.03322	15.0
81.06975	72.2
83.04887	15.0
83.08528	32.5
85.06470	7.6
87.15738	6.5
91.05400	40.7
93.06977	65.3
95.04885	29.1
95.08521	74.0
97.06474	11.7
97.10089	28.7
104.99205	7.6
105.07007	13.5
107.08530	37.3
109.06479	7.9
109.10092	42.8
119.08525	39.0
121.10091	26.2
125.09583	43.1
129.07011	7.0
133.10115	12.0
135.11627	11.4
137.09564	15.9
140.01604	6.9
147.11655	7.5
151.11113	7.3
173.58681	6.6
173.98204	6.3
175.01527	10.0
195.23859	8.0
222.07375	6.7
233.75227	7.0
235.55432	7.2
240.56606	6.9
249.21936	8.1
277.21619	65.7
295.22632	11.8
301.21957	7.5
351.25226	65.6
369.26328	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60217	4.8
55.01801	12.4
55.05449	57.7
57.03351	6.5
57.07019	11.4
57.76704	4.6
66.46136	4.6
67.05419	75.7
69.03335	8.0
69.06702	4.3
69.06994	67.9
70.87194	4.7
71.08537	7.2
79.05408	53.3
81.03331	11.5
81.06969	72.7
83.04896	10.3
83.08531	27.4
85.10090	4.4
85.21027	4.1
86.18057	4.7
86.48515	4.4
87.91673	4.8
91.05410	33.1
93.06963	61.1
95.04896	20.0
95.08537	70.5
97.02829	4.7
97.06450	11.9
97.10112	11.6
99.50320	5.0
103.48885	5.2
103.89668	5.0
105.06979	27.6
107.08536	35.2
109.06462	5.5
109.10110	48.0
110.08067	4.2
111.07948	5.2
119.04916	6.3
119.08536	32.9
121.10068	18.4
123.08062	9.2
125.09618	19.2
133.10107	7.1
134.99629	5.5
135.11682	20.9
136.74783	5.4
137.09563	30.0
139.11133	8.4
147.11684	7.4
147.72282	5.6
153.12775	5.9
173.11749	5.9
175.01474	9.3
186.73097	5.1
249.22145	8.7
277.21609	39.5
278.16510	5.2
295.22617	21.3
351.25320	49.6
369.26154	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05446	2.1
56.04959	1.7
56.96495	0.5
60.04444	0.6
60.05587	0.4
61.02829	0.4
67.05423	1.8
69.03338	2.3
69.06989	1.6
70.00870	0.4
70.02837	0.4
70.06501	15.3
71.04913	0.9
72.08068	8.2
74.05975	0.8
79.05402	1.7
81.06982	1.0
82.07820	0.4
83.04897	0.8
84.04428	3.2
84.08066	13.4
85.02835	2.6
85.06445	0.5
85.08410	0.4
86.09623	16.0
87.05486	0.4
87.09951	4.0
88.03912	0.5
90.21673	0.5
91.05409	2.9
92.10884	1.1
93.06973	1.0
95.04903	2.3
95.08518	4.0
96.04395	0.4
97.02805	0.8
97.38712	0.4
98.02385	0.5
98.97534	0.6
102.05471	0.5
103.05372	0.7
105.06975	2.4
107.04883	2.1
107.08541	2.5
109.06448	0.7
110.05984	0.4
110.07110	4.0
110.97530	0.4
112.08681	1.8
116.98558	0.8
119.04947	1.8
119.08533	2.3
120.08027	3.6
121.06448	0.7
121.10101	0.8
123.04377	1.9
123.08019	2.1
129.10187	4.7
130.10486	0.4
131.04906	0.4
133.06477	0.5
133.10112	0.5
135.07985	0.9
135.11688	0.7
136.07561	0.6
137.05952	2.7
143.11784	2.7
144.12114	1.8
146.05954	0.7
146.99652	0.4
147.04416	2.4
147.11667	0.7
149.05948	0.5
149.09622	0.9
151.07507	1.4
153.05405	0.5
158.99568	0.5
161.05940	10.5
161.09470	0.5
161.13239	0.6
162.06606	0.5
164.69228	0.4
165.09152	0.5
167.06981	10.2
171.11301	0.8
175.07463	0.7
177.00772	0.5
189.12675	0.7
191.07022	0.5
194.07532	0.4
195.11279	1.0
203.06995	3.3
203.08650	0.4
207.13713	2.0
208.14101	0.5
255.09984	0.5
265.08398	0.5
283.09491	0.6
307.10483	0.6
315.11984	0.6
325.11066	0.5
327.12167	0.6
339.12088	0.5
405.17197	100.0
406.17447	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14090	0.3
51.02326	0.5
53.00241	0.5
53.03874	2.2
55.01804	0.8
59.04921	0.4
65.03860	2.0
65.15004	0.4
67.05414	2.9
67.97663	0.4
69.06974	3.0
73.87122	0.3
77.03831	0.5
78.04602	2.6
79.05404	8.8
81.06990	0.8
85.02818	0.9
91.05407	7.7
93.03319	0.6
93.06960	2.3
95.04890	22.9
95.08511	0.5
97.06456	0.6
103.05413	4.3
105.04457	1.1
105.06958	7.2
106.04112	2.0
107.04893	36.6
107.08506	0.6
109.02862	0.5
109.06414	0.6
110.03603	0.8
111.04379	0.9
115.05397	3.3
116.06223	0.4
117.06960	3.7
119.04875	0.6
119.64863	0.4
120.05683	1.0
121.06466	4.2
122.03622	0.7
123.03492	0.8
123.04377	22.9
124.05153	3.8
125.05984	3.2
128.06157	1.7
129.06976	2.5
130.07724	6.3
131.04861	0.8
131.08514	2.5
133.06473	0.7
135.04419	0.8
135.08026	6.5
137.05923	5.8
138.03018	0.4
138.06645	0.6
139.03897	0.5
140.04636	7.7
142.02515	0.7
143.08517	9.4
144.05663	0.6
145.06415	2.8
145.10094	19.1
147.04388	1.1
147.08046	1.1
149.05974	2.1
151.03857	2.2
152.04657	2.8
153.05426	0.8
153.06943	0.7
154.06207	1.8
155.07181	5.3
155.08524	4.9
157.06459	0.5
158.07236	24.1
159.08000	2.6
161.05879	0.5
163.07494	9.3
163.11130	1.7
165.05505	0.5
166.06201	2.8
167.06995	100.0
168.07352	0.7
171.06490	2.8
171.07909	0.8
173.09584	32.4
175.07463	2.7
178.06252	1.0
178.10480	0.5
180.07753	1.1
181.04933	21.9
181.08516	14.5
183.06516	6.5
183.09125	2.5
186.06718	4.0
187.75584	0.4
189.09074	2.6
191.10582	3.3
192.07805	1.0
193.08546	0.9
194.09360	0.5
195.08435	0.7
195.10130	11.0
201.09064	31.8
207.10196	0.8
211.09729	0.5
218.09308	1.1
219.10126	9.6
223.13231	1.0
233.09341	0.5
233.11670	14.0
251.12721	22.0
263.10501	0.7
297.68604	0.5
355.15091	0.9
387.17877	0.7
405.22339	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	18.4
56.96503	3.3
57.07007	2.4
61.67518	2.5
67.05431	22.3
69.03349	8.2
69.06992	23.3
70.06503	4.3
76.55900	1.8
77.95888	2.0
79.05406	13.5
81.03341	2.5
81.06978	35.0
83.08540	9.2
85.02832	11.8
86.09616	8.7
91.05405	4.4
92.10911	2.8
93.06975	24.3
95.04884	3.0
95.08534	35.3
97.06495	3.5
97.10144	2.7
100.11211	7.7
103.05371	2.7
105.06988	11.7
107.08549	25.8
109.10082	16.7
111.04375	3.2
111.08073	3.0
119.08536	3.6
120.08112	3.0
121.06517	2.1
121.10108	16.7
121.71171	2.7
123.11699	2.5
125.05976	2.5
134.99702	2.2
135.08041	3.0
137.05933	4.2
139.07571	2.9
145.10110	2.9
149.06006	2.4
149.09621	3.3
149.13249	4.5
163.14775	10.7
167.06966	2.6
180.97183	2.2
191.11446	2.3
196.83257	2.5
209.15314	100.0
209.17101	4.3
227.16373	14.5
365.95490	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	406.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15978	0.2
53.03876	1.4
55.01808	1.5
55.05448	3.4
56.04955	0.3
56.96493	0.6
57.03376	5.2
57.07015	1.2
59.04924	0.6
59.46593	0.3
59.88950	0.3
60.04456	0.4
61.02853	3.1
62.37828	0.3
64.33752	0.3
67.05434	3.1
69.03005	0.4
69.03349	7.9
69.06985	5.1
70.06513	5.2
71.04910	6.3
72.08067	4.0
73.02819	0.6
75.04382	0.3
79.04987	0.4
79.05402	3.5
81.03357	2.5
81.06980	6.7
83.04897	3.0
83.08530	2.7
84.04422	0.6
84.08063	4.0
85.02827	20.5
85.06458	2.1
86.09632	5.3
87.04379	1.5
88.33321	0.3
89.05955	1.9
91.03855	0.5
91.05392	2.4
93.06970	9.2
95.04880	1.9
95.08532	8.0
97.02812	6.3
97.06482	2.8
97.10110	1.1
98.97515	1.6
99.04395	0.7
99.08032	0.5
103.05373	1.4
105.06973	9.5
107.04884	0.7
107.08535	21.2
109.02820	1.9
109.06453	3.5
109.09392	0.6
109.10109	13.4
110.07139	1.3
111.04311	0.3
111.08038	4.1
115.97734	0.3
116.98574	0.5
117.06988	0.4
119.08536	9.0
120.08083	0.7
121.06479	1.5
121.10095	100.0
121.31431	0.3
122.07276	0.5
122.10442	1.2
123.08011	4.5
123.11651	5.6
125.05923	0.3
125.09595	3.3
127.03899	2.3
127.07478	0.6
129.09160	0.9
129.10191	2.2
131.04898	2.1
131.08521	5.2
132.45467	0.3
133.06558	0.3
133.07591	1.2
133.10094	12.2
134.99657	0.6
135.08015	5.0
135.11674	8.2
137.05954	0.7
137.09604	7.3
137.13202	0.5
139.07474	0.4
139.11143	5.0
143.10664	0.5
143.68132	0.3
145.04955	1.7
145.10057	3.1
146.99622	0.3
147.04387	0.5
147.11670	11.2
149.09595	14.0
149.13232	9.1
151.11145	9.2
153.09088	2.6
158.10866	2.9
161.13213	0.5
163.14780	8.1
165.12663	0.5
167.14258	0.3
169.12183	4.2
173.13220	17.5
177.00668	0.3
179.14276	0.5
183.27069	0.3
191.14267	35.5
192.14624	0.6
209.15338	18.4
210.15686	0.4
227.16376	56.6
228.16779	1.6
297.02823	0.4
300.01453	0.3
352.99051	0.3
374.08142	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04495	0.6
53.03899	0.8
55.01815	1.0
55.05453	14.5
57.03370	4.4
57.07005	1.3
58.86166	0.7
59.04941	1.1
60.58845	0.7
61.02860	3.9
65.03857	0.9
66.76350	0.7
67.05430	15.8
69.03346	11.5
69.06983	10.9
70.06493	7.2
71.04542	0.7
71.04904	5.1
72.08074	1.7
73.02837	1.2
73.38218	0.8
79.05416	12.8
81.03317	2.8
81.06974	25.3
83.04900	16.4
83.08535	3.6
84.04446	1.0
84.08068	4.1
85.02835	29.4
85.06461	1.8
86.09605	6.5
89.55222	0.8
91.05392	11.2
93.06969	43.1
95.04891	7.7
95.08528	36.3
97.02827	3.2
97.06480	5.9
97.10104	1.4
99.04390	1.1
99.08021	4.1
105.06969	14.6
107.04901	1.6
107.08535	60.5
109.02856	1.1
109.06467	16.6
109.07175	1.1
109.10103	45.7
110.07121	1.9
111.07991	6.6
117.06988	1.7
119.08540	13.8
120.08092	1.4
121.06448	4.2
121.10094	25.8
123.08015	51.0
123.11642	1.4
125.09625	1.4
127.03886	5.5
127.07525	13.9
129.10191	1.2
131.08531	10.1
133.10088	27.1
133.11017	1.5
135.08031	8.9
135.11649	4.2
137.09583	14.6
139.07484	1.3
139.11150	1.4
141.09068	11.3
145.04938	6.2
145.10141	5.2
147.11650	8.6
149.09592	2.8
149.13246	19.5
151.11169	4.2
153.09113	13.5
154.09886	10.3
155.10626	14.9
158.10875	1.5
161.13254	4.9
163.05971	1.3
163.14796	5.6
173.13208	16.4
179.14319	1.4
191.14282	23.6
191.16026	0.8
209.15334	100.0
210.15688	1.6
221.29723	0.8
227.16235	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25305	1.6
53.03878	1.8
55.01807	2.2
55.05434	13.1
56.04984	1.7
56.96499	3.2
57.03373	4.3
60.04463	2.0
61.02810	2.2
62.94693	1.8
67.05424	16.9
69.03333	9.6
69.06991	15.6
70.06190	2.0
70.06508	33.8
71.04900	18.5
72.08074	8.9
73.02812	3.0
75.85841	1.9
79.05395	17.6
80.23038	2.0
81.03351	3.5
81.06976	40.4
83.04910	3.5
83.08492	3.0
84.04404	9.9
84.08062	23.0
85.02842	20.6
85.06467	8.1
85.08341	2.4
86.09624	27.4
88.03909	2.6
90.79476	2.0
91.05415	18.1
93.06973	75.0
95.04878	12.0
95.08532	100.0
97.02789	3.6
97.06435	14.8
99.08006	2.6
101.48376	1.9
103.05350	2.8
105.06973	80.6
107.08537	54.8
109.06479	16.6
109.10073	17.4
110.07072	8.6
111.08021	4.0
112.08585	2.2
115.07522	4.1
116.98629	2.6
119.08530	86.1
120.08087	17.9
121.06462	5.2
121.10088	30.2
123.08014	4.4
127.07490	2.5
129.10152	4.6
131.08504	14.9
133.10081	30.2
135.08023	3.9
135.11667	40.4
136.07469	2.6
137.09573	2.5
145.10069	18.5
147.11647	20.2
149.09517	4.0
149.13255	17.1
151.11139	13.8
153.09044	3.3
161.13199	25.2
163.11137	12.5
163.14767	13.0
165.12685	10.4
167.06982	8.9
169.08527	5.4
173.13187	17.9
175.07492	2.3
179.14270	5.4
191.10670	3.4
191.14238	21.9
194.04906	2.2
209.15327	89.7
227.12729	2.5
227.16302	7.9
279.57486	2.2
287.05447	4.0
313.51691	2.7
361.02164	11.5
379.03232	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	406.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	0.8
57.07011	13.5
57.38759	0.7
58.06525	5.4
70.06137	1.9
70.06509	44.4
71.08541	4.8
72.08067	5.9
75.18623	0.9
84.08061	6.8
86.09622	7.8
88.07559	4.3
89.05937	2.2
90.50957	1.0
107.27531	1.0
114.09135	5.2
118.75197	1.0
125.93370	1.0
132.10156	14.5
137.05977	6.0
146.11737	13.9
175.76546	1.1
176.12843	3.8
189.06030	1.1
190.14444	2.1
212.23744	4.7
238.25252	1.7
256.26242	2.0
300.28925	68.2
344.31537	30.0
406.35190	100.0
407.35065	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1523
Annotation	Asperlicin D
Peak:m/z	Relative Intensity
56.04962	0.5
56.96498	0.7
60.04451	0.6
61.02842	0.7
69.03342	1.9
69.07003	0.5
70.06509	3.5
72.08054	0.7
73.02831	0.4
76.45280	0.4
77.38431	0.5
81.03349	0.8
84.04413	0.9
84.08083	3.8
85.02827	6.0
86.09630	0.8
88.60090	0.5
92.63909	0.5
93.36030	0.4
97.02824	2.6
98.97508	1.8
100.26892	0.5
109.02837	0.7
120.25913	0.5
127.03873	0.9
129.10196	0.9
136.07529	0.6
137.05963	1.1
145.04947	0.5
149.05917	0.5
167.07007	2.0
175.02776	0.9
181.08437	0.5
186.17584	0.5
211.09586	1.0
252.04173	0.5
274.48538	0.6
275.10977	2.5
289.34082	0.5
407.15131	100.0
408.15454	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	407.1907
Annotation	Trp Ala Glu
Peak:m/z	Relative Intensity
53.03878	1.0
55.01806	4.5
55.05445	10.7
55.63905	1.0
56.04972	10.3
56.96475	1.1
57.03368	4.7
60.04455	9.6
60.05586	1.7
61.01072	1.6
67.05425	16.6
67.42397	1.0
68.04953	1.2
69.03358	13.6
69.04475	1.1
69.06984	15.8
70.02863	1.3
70.06507	100.0
71.04906	33.7
71.06831	2.4
72.08067	40.2
73.08382	1.2
74.05998	8.3
76.02135	1.9
79.05408	13.5
81.03328	8.2
81.06967	26.0
82.06489	1.6
83.04891	7.3
83.06018	5.4
84.04427	35.2
84.08066	84.4
85.02818	16.2
85.04758	1.1
85.06447	4.5
85.08389	2.5
86.09625	90.5
87.04379	2.3
87.05508	4.3
87.09964	1.7
88.03910	7.3
91.05397	14.8
92.05791	1.6
93.04449	2.2
93.06968	11.5
95.04897	12.4
95.05983	2.0
95.08523	7.0
96.04445	8.5
97.02795	5.3
97.06438	8.3
97.07540	1.1
97.17809	1.1
98.05978	2.0
98.09597	2.5
98.97488	2.1
99.04400	2.9
101.07084	2.6
102.05487	10.1
102.70289	1.1
103.05389	1.8
105.06966	10.8
107.04902	4.4
107.08540	10.9
109.02778	1.5
109.06486	9.4
109.10139	1.9
110.07114	40.9
111.04398	5.0
111.09132	1.6
112.08681	4.4
113.05947	2.0
113.07057	1.8
115.08616	1.9
116.01633	1.0
116.07016	2.5
116.20585	1.1
116.21416	1.4
116.89908	1.0
116.98481	3.6
117.06959	4.3
119.04880	1.6
119.08549	9.4
120.08060	31.6
120.08877	1.8
121.06454	5.2
121.10115	11.5
123.04347	1.4
123.08014	6.4
123.11640	1.3
125.05981	1.4
125.09604	1.5
126.05488	1.6
127.03874	4.4
128.10641	1.3
129.05424	5.2
129.06976	2.7
129.10199	46.7
130.04965	4.4
130.10536	1.9
131.04901	1.7
131.08543	13.7
133.10094	11.6
134.10316	1.3
135.08008	2.0
135.11623	1.5
136.07558	6.8
137.05966	4.9
143.08163	5.9
145.04939	1.5
145.10127	5.2
147.11595	2.1
149.09669	9.7
149.13091	1.3
151.11159	14.4
152.11517	1.5
155.07005	2.7
156.07660	2.1
157.09772	1.8
163.11111	4.5
164.10683	9.8
167.06964	5.9
167.10600	7.2
169.12155	1.5
175.07503	1.2
175.14752	4.6
176.15172	1.6
177.00659	1.4
189.08875	1.2
191.08517	1.7
191.10582	5.3
191.14310	1.1
194.11836	1.3
195.11226	1.7
209.11671	10.8
210.11139	1.4
212.10028	1.1
212.12801	2.2
227.12730	16.2
227.16335	4.5
230.13838	7.7
233.16483	2.0
245.13835	13.1
294.17810	1.3
323.19608	13.0
353.20782	1.8
359.90894	1.2
371.21762	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	407.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00230	1.6
53.03874	1.9
55.01798	3.8
55.05450	44.8
56.04963	6.7
57.03362	4.1
57.06996	3.4
58.99501	8.7
60.04441	2.6
67.05430	26.6
67.36798	1.6
69.02764	2.0
69.03347	63.0
69.06985	40.0
69.11485	1.5
70.06138	3.3
70.06505	84.2
71.04906	7.0
71.06832	1.7
71.54269	1.4
72.08072	14.8
74.05984	7.6
76.02121	2.0
79.05398	28.7
81.03334	50.1
81.06972	31.7
83.04902	12.9
83.05988	1.8
83.08524	23.9
84.04433	48.1
84.08060	32.4
85.02824	16.8
85.06464	7.9
86.09624	100.0
86.98973	4.0
87.03128	3.4
87.09949	3.8
88.03905	10.1
91.05408	19.9
93.06974	44.3
95.04879	11.5
95.08545	19.9
96.04424	27.3
96.08019	1.9
97.02824	3.6
97.06433	4.1
97.10091	18.4
98.09602	9.0
99.04383	2.7
101.07104	2.7
102.05457	3.7
105.06976	29.4
107.04903	4.0
107.08535	45.9
109.06465	28.2
109.10104	9.6
110.05965	2.8
110.07112	17.8
112.03886	3.4
112.08679	1.8
115.03896	12.1
115.08649	2.9
116.01633	28.4
117.06961	11.2
119.08540	15.2
120.08050	17.1
121.06444	2.7
121.10101	39.1
123.07989	8.2
123.11656	9.3
125.05926	2.1
125.09604	4.2
126.05455	2.6
128.10680	9.7
129.05394	3.0
129.10182	11.9
130.04951	7.4
131.08536	21.9
133.10095	32.5
135.08037	12.9
135.11609	7.1
136.07483	2.3
137.05981	19.7
138.05417	2.4
144.01115	9.6
145.10088	9.6
147.11690	3.0
149.09547	4.3
149.13225	9.4
151.03825	1.9
151.11118	7.2
153.09099	17.5
158.10915	6.4
159.08351	13.3
161.13193	4.1
162.02161	29.5
163.14795	17.6
164.10646	35.6
164.11868	2.7
167.07004	26.0
168.07332	26.5
168.10170	2.9
173.13211	21.3
177.05365	3.0
179.14311	2.2
191.14256	34.3
194.11722	3.8
196.13214	6.4
209.08015	3.8
209.11688	2.5
209.15323	33.2
210.08438	2.5
210.11246	8.4
210.15567	2.3
212.12814	13.8
227.08984	3.4
227.16394	19.6
228.09480	4.3
228.17322	1.9
230.13850	33.6
245.04066	2.6
245.18520	9.1
259.10980	1.8
262.10971	10.0
275.89294	1.9
277.19080	2.7
279.13571	3.5
294.14343	1.7
315.28824	1.9
323.19586	52.4
353.20648	10.6
353.37329	1.8
371.21701	22.4
389.22638	10.2
407.09177	7.2
407.23267	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	407.2275
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
53.03875	3.1
55.01801	7.9
55.05452	42.7
56.04963	8.6
57.03373	3.9
57.06999	2.7
58.99519	7.2
60.04456	1.9
65.03857	1.9
66.11230	1.4
67.05431	25.5
69.03350	63.2
69.06993	37.9
70.06140	2.6
70.06510	70.9
71.04913	8.0
72.04411	1.6
72.08087	12.7
74.05992	3.8
76.02132	3.3
76.03937	1.5
79.05416	21.6
81.02911	2.1
81.03342	39.3
81.06971	38.7
82.03669	2.1
82.06510	1.8
83.04904	14.3
83.06027	3.0
83.08546	24.7
84.04428	44.0
84.08074	31.1
85.02834	22.2
85.04789	2.1
85.06454	7.1
85.08384	1.9
86.09628	100.0
86.98962	3.6
87.05520	1.8
87.09971	2.0
88.03918	13.9
91.05412	17.1
93.06969	40.5
93.72263	1.5
95.04890	13.0
95.05994	1.5
95.08541	16.8
95.95356	1.5
96.04410	20.9
96.08018	1.9
97.02825	10.2
97.06456	3.6
97.10095	14.5
98.02357	1.8
98.05977	3.0
98.09607	9.0
99.04380	3.8
100.03878	1.6
100.11189	1.7
101.07042	3.0
102.05458	2.9
105.06985	19.8
107.04879	2.7
107.08538	52.2
108.04426	1.8
109.06474	28.9
109.10098	7.3
110.06009	2.2
110.07147	12.5
111.04341	1.7
111.08047	2.9
112.03885	3.1
112.08661	3.4
114.05489	1.8
115.03866	8.5
116.01641	24.4
116.07004	2.7
117.06963	9.5
119.08537	14.7
120.08061	12.2
120.08804	1.9
121.10095	35.8
123.08002	10.2
123.11644	3.0
125.05904	1.9
125.09588	3.5
126.05439	2.5
127.03867	2.5
127.07561	1.8
127.08524	2.3
128.10687	7.9
129.06979	1.6
129.10202	10.0
130.04967	7.9
131.08531	17.3
132.10207	2.3
133.10100	28.3
135.08055	14.9
135.11647	4.0
137.05969	18.1
138.05533	2.4
139.11201	2.1
144.01135	11.4
144.65865	1.9
145.10085	8.8
147.07585	1.8
147.11665	3.9
149.09663	3.8
149.13231	6.8
151.11143	7.1
153.09065	17.5
154.12306	1.6
156.06496	1.6
157.13319	1.8
158.09486	1.6
158.10927	2.8
159.08366	12.0
161.13249	3.2
162.02173	27.7
163.14798	11.6
164.10667	34.4
167.06992	34.3
167.08278	2.1
168.07335	27.3
168.10219	2.1
170.11688	1.9
173.13229	23.6
175.11948	3.0
191.14272	26.3
194.11751	6.9
195.07555	1.8
196.13316	3.7
209.11600	1.9
209.15327	33.8
209.17198	3.1
210.08430	1.6
210.11237	8.5
212.12726	13.3
227.09081	6.0
227.16360	14.7
230.13808	25.2
245.04115	1.9
245.18585	1.8
245.63548	1.6
254.16048	1.6
258.13452	1.7
262.11050	10.9
271.94385	1.7
273.42578	1.8
279.13559	3.3
323.19595	41.8
335.19354	2.6
353.20609	10.3
371.21643	18.2
389.22372	11.3
407.09317	6.4
407.23431	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	407.24
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82274	0.5
57.07003	1.0
70.06512	3.2
74.29386	0.4
88.07549	3.0
93.06987	0.5
96.04402	0.8
111.51520	0.4
112.78696	0.4
114.09136	2.6
132.10126	3.4
144.06566	0.6
176.12756	1.8
196.07664	0.5
234.14903	0.5
256.26270	0.9
262.42410	0.5
298.71704	0.5
310.68893	0.5
406.35233	10.9
407.23950	100.0
407.35217	7.1
408.24127	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	407.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96499	3.7
62.61399	1.4
69.07008	2.5
95.08526	2.6
98.97518	6.6
107.08546	2.7
116.98581	8.7
133.10104	2.0
133.27866	1.6
134.99661	6.0
177.00629	2.0
195.01912	1.6
199.08420	1.6
226.76712	1.4
334.18362	1.6
405.00961	1.7
407.23987	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05424	4.2
68.07491	1.7
69.52118	1.8
81.06951	2.4
85.10059	1.7
95.08541	3.1
100.53537	1.6
107.35861	1.6
157.15805	1.7
268.49457	2.1
288.28806	2.1
343.08054	1.9
407.18588	3.5
407.23947	100.0
408.24286	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	408.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60695	0.5
53.00250	0.5
53.03878	0.7
55.01807	0.4
55.05444	0.7
56.04971	0.8
57.03380	3.8
61.01075	23.4
61.02840	0.8
68.04941	1.3
69.03354	6.0
70.02859	1.1
70.06519	4.5
71.04901	1.0
72.08076	0.7
75.02624	2.1
76.02111	0.4
76.56846	0.5
81.03335	1.2
84.04428	3.3
84.08066	3.6
85.01083	0.7
85.02820	11.4
86.06002	0.6
86.09597	1.8
87.02614	18.1
87.04399	0.8
88.85422	0.5
89.04179	0.7
93.06970	1.1
95.04890	3.3
96.04409	0.8
96.08043	2.0
97.02812	4.1
98.02300	0.5
98.05998	2.5
98.97513	0.5
104.29882	0.5
105.00031	1.0
105.03654	1.3
105.06967	1.2
109.02795	0.5
109.06487	1.3
110.07130	0.7
111.33314	0.5
112.03876	1.2
113.04691	11.2
114.05481	5.2
115.03890	0.9
116.01579	0.6
116.03409	3.2
119.08523	2.1
120.08038	2.2
122.03601	0.7
123.04400	2.1
124.07537	3.9
126.05477	2.4
126.09111	0.6
127.03835	1.2
129.10225	0.7
133.03149	61.7
134.03513	0.8
136.07552	1.0
137.05940	6.1
140.04652	0.7
140.07060	0.6
142.04976	0.7
142.08627	0.8
144.06548	2.3
145.10194	0.6
152.07036	16.6
155.07010	2.3
161.09596	0.6
168.04137	1.2
169.04916	2.4
170.08145	2.1
172.06056	0.9
179.03329	2.4
182.06319	2.6
183.06482	41.1
184.06821	0.6
198.07570	2.7
200.07362	4.5
203.10666	0.6
210.05733	0.8
211.05963	10.1
211.09581	2.5
218.08443	2.3
228.06842	2.3
241.86833	0.6
246.07889	100.0
247.08192	3.4
247.13287	2.0
408.13068	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	408.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51038	1.7
53.00226	1.5
55.01820	2.5
55.05428	1.7
56.04977	2.8
56.96479	1.8
57.03384	2.7
57.44659	1.5
58.43547	1.7
60.04441	12.5
69.03341	10.6
69.06977	24.7
70.02865	20.9
70.06142	2.1
70.06504	40.5
72.08039	2.9
73.02814	2.5
74.05997	2.0
79.05400	2.6
81.03343	4.2
84.04423	18.8
84.08060	3.2
84.95949	1.9
85.02823	29.3
85.03924	7.6
86.09622	100.0
87.04411	1.9
87.05495	12.9
88.03900	2.4
91.05397	3.1
93.06920	1.8
96.04405	11.5
96.04971	1.7
97.02818	11.6
98.02322	7.2
98.05952	12.4
98.97495	3.9
100.03939	1.8
102.05479	2.3
103.05360	4.0
104.05261	2.8
105.06941	3.9
106.04969	2.0
107.04887	27.9
109.02816	2.0
110.02350	41.5
111.05487	2.0
112.03879	8.4
113.10718	13.4
116.07036	81.2
116.98549	6.9
118.06515	2.1
119.04906	2.7
120.08025	9.9
123.04377	16.5
124.03889	3.1
125.05959	3.7
127.03884	2.5
129.06541	11.3
130.06465	7.3
131.04829	3.0
132.10120	7.9
134.99596	3.1
135.08011	7.2
136.07556	8.4
137.05948	61.3
139.03880	3.5
139.04947	1.8
140.04640	3.0
141.10184	29.0
144.06538	2.9
145.04857	2.1
146.05977	10.2
146.99718	2.2
147.04367	7.9
151.03873	20.9
155.11772	10.7
161.05966	8.4
163.07454	20.5
166.08589	44.0
167.06992	90.4
168.07449	2.4
169.04794	2.9
183.11246	18.4
187.10739	13.9
188.07047	15.2
189.05247	2.2
193.08591	2.6
195.10078	12.4
199.10712	2.2
204.71997	2.0
211.09605	11.9
212.09094	17.9
215.51653	1.9
229.12035	23.2
229.15416	35.2
243.01735	1.7
246.14471	18.5
248.66090	1.8
270.14105	2.3
271.12729	9.4
288.15472	18.9
303.08487	22.5
314.88675	1.9
324.15448	2.7
376.90997	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2123
Annotation	Glu-Ile-Phe
Peak:m/z	Relative Intensity
55.02926	0.5
55.05452	4.1
56.04971	3.8
56.96486	0.5
57.03363	0.7
57.06998	0.8
67.05415	5.9
69.03337	1.2
69.06984	4.8
70.06510	10.5
71.04899	2.1
72.08055	3.4
76.18049	0.5
79.05408	2.1
81.03324	0.7
81.06966	6.1
83.04888	1.3
83.08530	0.9
84.04424	51.5
84.08065	7.7
85.02821	4.7
85.06456	2.2
85.77333	0.5
86.09624	92.0
87.09966	0.6
88.03883	0.8
91.05399	4.7
92.10809	0.7
93.06969	6.6
95.04920	1.1
95.08533	8.8
96.04414	0.9
97.02804	0.8
97.06470	0.5
99.07990	0.9
102.05472	21.9
103.05434	4.2
103.05991	0.6
105.06981	4.6
107.04881	0.6
107.08513	5.0
108.08900	0.8
109.06441	0.8
109.10125	6.3
110.07093	2.5
110.55663	0.5
111.08012	1.1
111.11636	0.6
113.07029	2.0
116.98532	0.9
119.08542	7.0
120.08052	100.0
121.08412	1.3
121.10066	0.7
123.08048	0.8
123.11640	4.2
124.11168	1.1
125.09535	0.7
129.06525	5.3
129.10191	3.7
131.04863	1.3
131.08548	1.0
132.10168	7.2
133.10100	5.1
134.99585	0.7
135.07986	0.8
135.11647	3.7
136.07565	1.2
137.05908	1.3
137.09596	2.3
141.06529	4.0
147.11641	1.2
149.05960	0.8
149.13216	2.7
151.11172	0.7
151.14760	0.6
152.10710	4.5
163.07468	0.6
166.08598	21.9
170.11703	4.1
173.13152	0.6
175.14772	4.2
186.09117	6.6
193.12209	0.9
193.15907	5.3
197.12808	11.4
201.12296	1.0
204.10236	0.8
211.13382	0.8
211.16907	8.0
215.13872	19.8
216.14154	0.7
223.05968	0.5
225.12292	3.3
229.18007	1.0
231.11227	5.8
243.13310	6.6
249.12178	4.3
259.10779	1.3
277.11838	1.2
279.16898	1.3
362.55154	0.6
390.19965	0.8
409.18439	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81758	1.5
55.05451	21.5
57.03366	3.0
57.07010	2.9
58.17309	1.2
61.02869	1.5
61.78413	1.4
67.05431	29.1
69.03344	3.5
69.06985	33.9
71.04902	7.7
79.05392	8.1
81.03323	1.7
81.06508	2.2
81.06974	62.6
83.08537	13.2
85.02831	22.1
85.06458	3.3
91.05422	11.5
93.06977	17.2
95.08531	100.0
97.02802	2.4
97.10101	6.1
105.06968	14.3
107.08547	10.8
108.94356	1.5
109.10110	33.5
111.08007	3.2
111.11676	2.2
117.30182	1.6
119.08527	22.4
121.10111	2.8
122.21124	1.8
122.54840	1.7
123.11665	1.9
127.03820	2.8
133.10083	19.9
133.11633	1.5
135.11655	6.9
137.09563	2.3
140.83109	1.6
147.11656	8.1
149.02325	1.6
149.13167	11.5
151.11217	1.8
151.14798	65.7
175.14822	29.4
185.07437	1.8
193.12090	2.0
193.15839	35.5
211.16864	10.2
229.17920	2.0
339.40598	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	1.1
55.01812	1.1
55.05449	18.9
57.03362	5.1
57.07001	4.1
59.04920	1.2
61.02845	4.1
65.17065	0.8
67.05073	1.4
67.05427	32.8
68.77929	0.6
69.03349	12.0
69.06985	28.2
71.04924	5.8
73.02827	1.6
73.06453	1.0
79.05410	8.9
81.03332	3.1
81.06972	57.1
83.04892	2.9
83.08535	16.5
85.02826	44.4
85.06453	3.5
87.04373	0.8
87.92609	0.7
91.05394	15.8
92.10265	1.8
93.06964	15.7
95.04896	1.4
95.08530	100.0
95.14909	0.9
97.02801	10.9
97.06454	4.5
97.10085	7.9
99.04372	1.5
99.08010	1.2
103.05405	0.7
105.06962	17.5
107.08533	13.8
109.02827	4.7
109.06474	1.7
109.10101	40.4
109.10855	1.5
110.10418	0.8
111.08036	4.0
111.11634	3.3
116.98576	1.0
119.08535	24.0
119.09335	1.4
121.10091	7.1
123.08022	3.7
123.11615	1.5
125.09591	1.0
127.03864	4.5
131.08658	1.1
133.10091	25.4
135.11655	7.1
137.05942	3.2
137.09593	4.9
145.04932	1.1
147.11664	10.4
149.13223	14.7
151.11209	1.4
151.14795	55.9
152.15126	0.9
165.16309	1.1
175.14781	44.4
193.15843	48.3
194.16187	0.8
211.16872	11.2
212.89377	0.8
218.80229	0.7
229.17812	1.1
403.55136	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00251	1.2
53.03882	1.6
53.98994	0.9
55.01795	1.4
55.05451	19.7
56.04976	1.9
56.96491	1.1
57.03368	2.0
57.06997	2.3
59.04924	1.1
60.04448	4.3
61.02861	1.0
67.05422	33.0
69.03341	5.7
69.06984	16.8
70.06506	14.1
71.04904	9.9
72.08077	13.0
74.05974	1.3
79.05413	9.9
81.03356	1.3
81.06508	1.8
81.06969	38.5
83.04896	28.8
83.08544	4.5
84.04424	5.7
84.08067	18.4
85.02821	11.0
85.06448	4.5
86.09148	1.3
86.09625	24.5
88.03906	1.0
91.05408	11.2
92.10991	1.1
93.06426	1.7
93.06966	22.4
93.11198	0.8
94.63793	0.9
95.04884	5.6
95.08528	80.4
96.08864	1.1
97.02815	2.3
97.06456	5.3
97.10115	1.0
98.97495	1.7
99.04393	6.0
99.08002	7.5
105.06977	14.1
107.08539	25.1
109.06447	6.0
109.09396	1.7
109.10109	38.6
110.07129	7.6
111.08038	3.9
113.09564	1.0
119.08537	33.0
120.08051	11.0
121.06393	1.2
121.10078	13.0
123.08010	5.2
123.11651	11.4
127.03894	1.6
129.10205	9.0
131.08562	1.6
133.10094	42.1
134.10396	2.1
135.11661	22.1
136.07576	1.7
137.05948	1.5
137.09587	100.0
137.13174	1.2
139.11298	1.1
145.10048	1.7
147.11647	6.7
149.13220	4.3
149.99223	1.0
151.11168	1.9
155.10616	1.0
165.12651	1.3
175.11166	1.6
175.14778	38.6
176.15111	1.3
193.12175	5.8
193.15840	68.0
194.16199	1.3
211.13275	5.9
211.16852	7.2
229.17900	2.2
320.68527	1.1
389.27454	1.1
409.18567	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	408.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00236	1.2
55.01799	1.5
55.05447	39.1
56.04954	5.3
57.03365	6.0
57.06992	7.7
59.04931	2.3
60.04441	5.2
60.05574	1.5
61.02835	1.6
64.33652	1.2
67.05076	1.5
67.05422	31.1
69.03330	7.1
69.06982	91.5
70.06147	2.0
70.06501	40.5
71.04903	18.6
71.06801	1.3
71.08550	1.3
72.08072	21.1
74.05975	2.5
75.25671	1.3
79.05412	14.3
81.06967	37.7
82.06494	1.6
83.04900	15.0
83.08506	8.4
84.04415	12.5
84.08060	27.1
85.02813	15.3
85.06451	6.9
86.09618	51.6
87.09953	2.7
88.03905	4.8
91.05400	27.1
93.06962	26.8
94.81992	1.2
95.04858	6.9
95.05991	1.2
95.08524	99.3
97.02799	2.8
97.06456	10.7
97.10081	7.7
98.05888	1.1
98.97507	1.8
99.04388	13.9
99.07986	2.2
101.07085	1.8
103.05376	2.2
105.06963	27.8
107.04875	2.2
107.08524	52.6
109.06435	6.4
109.10095	65.1
110.07097	12.2
111.08041	9.3
112.08665	2.3
113.05946	1.6
115.08614	2.2
116.06965	1.9
118.17441	1.4
119.04834	2.0
119.08521	63.6
120.07220	2.0
120.08046	33.7
120.08854	2.1
121.08303	1.4
121.10081	26.8
123.08014	16.1
123.11639	14.4
125.05949	1.9
125.09570	35.5
127.03852	2.8
129.06581	1.2
129.10194	18.1
130.04910	1.7
131.04865	3.1
131.08495	7.7
133.10083	100.0
134.10391	1.9
134.99568	1.7
135.11644	40.6
136.07526	5.4
137.05870	1.9
137.09583	56.8
137.13153	1.4
139.11134	2.2
141.10187	1.6
145.10048	2.8
147.11653	13.2
149.09544	1.6
149.13210	8.5
151.11113	6.9
151.14761	8.2
155.10652	1.8
165.16316	2.8
173.13052	1.5
175.11128	2.2
175.14780	90.7
176.15041	4.6
177.16309	2.5
193.12241	14.2
193.15831	90.1
194.16187	2.1
198.09612	1.6
211.13197	5.5
211.16850	15.8
216.98184	1.5
233.16412	7.3
261.15933	1.7
295.12854	2.6
311.09729	1.7
339.24817	1.7
408.26328	2.5
409.18274	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.11
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69065	1.4
64.36682	1.5
69.03336	2.2
70.65298	1.5
81.11004	1.8
84.04416	3.5
84.08067	10.1
85.02823	2.4
86.09604	12.2
101.13534	1.8
116.07046	8.9
120.86473	1.5
132.10179	2.6
175.75037	1.7
177.00671	2.2
189.35684	1.5
224.07919	1.9
239.77425	1.9
247.12917	1.7
409.10974	100.0
410.11194	2.1
421.22122	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49063	0.9
53.73729	0.7
55.05446	7.4
56.04966	4.5
56.96511	1.9
57.03378	1.7
60.04450	2.1
61.02871	0.8
67.05424	4.1
69.03345	6.0
69.06982	4.9
70.06508	35.1
70.82598	1.0
71.04901	6.1
72.08061	18.4
74.05994	7.3
79.05406	1.7
81.06976	7.4
83.08533	1.0
84.04433	11.6
84.08071	25.6
85.02826	4.1
85.06457	2.0
86.09627	30.9
87.09959	1.3
88.03905	1.8
91.05400	3.8
93.06966	7.0
94.07299	1.4
95.08523	9.3
97.06493	1.0
99.04362	1.1
99.08024	5.0
102.05490	2.2
102.06490	0.9
105.06966	4.6
106.04939	1.5
106.07337	1.0
107.04886	1.9
107.08517	10.0
109.06456	1.2
109.10120	6.7
110.07136	8.2
113.07147	1.0
115.08652	1.0
116.98599	1.4
117.41419	0.9
119.08515	6.5
120.08054	14.0
120.08834	1.3
121.10096	5.6
123.07999	1.3
123.11651	2.1
125.09591	5.9
127.11172	0.9
129.10182	16.2
130.10608	1.0
133.10098	7.8
134.10416	1.4
135.11659	5.1
136.07570	1.9
136.12001	1.1
137.09616	1.7
149.13223	2.2
159.69142	0.9
163.14828	1.1
167.07054	1.3
173.13139	0.9
175.14819	5.5
176.15089	1.1
177.00700	1.1
193.08574	1.4
193.15791	8.6
194.16269	2.0
211.16908	5.5
225.04187	1.3
229.17957	4.3
230.18425	1.6
269.03253	1.7
367.32465	1.0
407.75430	0.9
409.18237	100.0
410.18564	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	409.1826
Annotation	6alpha-methylprednisolone
Peak:m/z	Relative Intensity
60.04434	0.7
64.59715	0.5
64.62621	0.4
67.05424	0.5
70.06504	7.0
71.11082	0.4
72.08085	1.1
77.12177	0.4
84.04446	0.6
84.08064	5.8
85.02856	0.4
86.09643	3.9
93.06970	0.6
102.05499	0.6
119.08604	0.4
120.08060	0.5
126.05515	0.7
129.10173	3.2
145.76976	0.4
328.09692	0.5
409.18234	100.0
410.18677	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1832
Annotation	Tafluprost (free acid)
Peak:m/z	Relative Intensity
51.16864	0.4
55.05447	2.5
56.04982	0.7
56.96507	0.5
57.07007	0.6
61.01071	0.7
67.05423	2.0
69.03347	1.8
69.06985	2.3
70.06507	5.0
71.04906	2.4
72.08064	3.3
79.05413	0.7
81.06986	4.0
83.04902	0.5
83.08547	1.0
84.04438	2.3
84.08070	3.6
85.02853	3.9
86.09623	7.9
91.05396	1.1
91.25024	0.4
92.64481	0.4
93.06983	1.9
94.96787	0.4
95.08553	4.4
97.02842	0.6
97.06454	2.0
97.10101	0.8
100.90223	0.5
105.06992	1.9
107.08536	2.3
109.06495	0.5
109.10120	3.7
110.07118	0.7
110.10455	0.5
119.08562	2.8
120.08079	2.4
121.10101	2.4
123.08028	0.6
123.11624	2.0
125.09602	0.5
127.03880	0.6
129.10168	1.7
132.10213	0.5
133.10132	2.8
135.11684	3.0
136.07594	0.7
136.12025	0.6
137.05901	1.7
145.10141	0.6
149.13286	1.1
151.14760	0.5
165.16422	0.8
175.14815	4.3
176.15144	1.9
193.15874	3.8
194.16115	0.7
195.13896	0.5
197.10292	1.0
211.16872	4.5
212.17249	1.0
213.14847	3.6
245.09503	0.6
409.18274	100.0
410.18530	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	409.1856
Annotation	CHEBI:70176
Peak:m/z	Relative Intensity
51.70613	1.2
53.02636	1.5
53.03888	8.1
55.01818	4.5
55.05450	18.8
56.04964	8.5
56.51519	1.5
56.96485	2.3
57.03364	10.6
60.04443	6.9
65.03847	3.0
67.05428	25.1
68.49049	1.8
69.03349	41.7
69.06977	12.6
69.41957	1.9
70.06512	53.5
71.01280	1.6
71.04906	3.8
71.81615	2.0
72.08067	23.0
74.05967	4.5
79.05407	16.6
81.03336	23.4
81.06973	31.1
81.96857	1.9
82.32323	1.9
83.04899	11.7
84.04423	23.3
84.08067	52.8
85.02831	33.6
85.08434	2.1
86.09618	43.7
87.05506	2.3
88.03887	7.2
91.05390	35.8
93.06970	73.0
95.04888	55.7
95.08532	17.6
97.02827	14.7
97.06477	10.2
99.04359	6.8
99.08008	2.9
102.05465	9.9
102.38265	2.3
103.03888	3.1
105.06971	75.9
107.04918	2.7
107.08532	23.9
109.02814	4.6
109.06458	43.1
109.10104	10.2
110.07099	17.6
111.04385	26.2
111.08019	8.1
112.08667	2.5
115.05405	7.6
116.06175	2.2
116.07004	3.3
117.06962	14.5
119.04890	4.3
119.08530	79.0
120.08064	14.4
121.06459	32.5
121.10096	8.6
123.04388	4.2
123.08005	16.5
123.11684	2.3
125.05985	3.2
125.09581	2.3
127.03857	11.8
128.06151	13.0
129.06937	11.8
129.10202	27.5
130.04979	2.9
130.07727	7.8
131.08539	33.0
133.06436	8.2
133.10089	36.9
135.04340	2.1
135.08015	12.8
135.11656	6.8
136.07526	19.6
137.05954	13.4
139.07521	2.6
141.07001	4.1
141.10178	3.1
142.07753	13.6
143.08533	30.9
144.09326	4.5
145.06473	12.8
145.10097	47.9
146.07236	10.2
147.04369	2.2
147.08022	21.2
147.11668	14.5
149.05913	4.0
149.09612	2.5
151.03828	2.5
151.07526	7.8
155.08492	11.4
157.06482	2.8
157.10106	22.0
157.91469	2.1
158.07257	11.9
159.08051	31.8
159.11665	27.9
160.08803	2.2
161.05859	2.6
161.09587	62.4
163.07466	7.6
163.14742	3.3
165.08998	3.4
167.07080	2.3
167.08487	2.4
168.09337	7.9
169.10052	4.2
171.07996	9.8
171.11620	4.4
172.08784	17.4
173.09612	15.1
173.13202	23.0
175.07442	17.8
175.11096	18.1
175.14795	3.4
177.09050	10.3
177.12654	2.9
179.07042	1.9
181.06406	3.0
183.11646	11.0
183.50281	1.8
185.09500	3.7
185.13170	2.2
187.11133	20.7
189.09077	18.1
189.12715	2.2
193.08522	2.3
193.10088	2.7
193.11978	2.2
193.15874	4.0
195.07985	2.7
195.11241	2.2
196.08791	9.0
199.11247	2.5
201.12556	28.5
203.10606	23.0
205.12212	4.4
211.11133	14.1
211.16914	3.0
217.12134	3.4
217.38997	1.9
218.49312	2.2
219.13641	15.6
229.12112	21.2
229.17937	3.4
247.13231	100.0
265.14200	10.8
299.01105	1.8
391.17322	12.3
409.18427	26.7
409.23657	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	409.1855
Annotation	Macrocliniside C
Peak:m/z	Relative Intensity
50.38472	2.1
53.03879	5.5
53.31434	2.1
55.01802	4.9
55.05458	25.5
55.18261	2.0
56.04967	17.8
56.05779	2.2
57.03358	5.8
58.36201	2.0
58.70103	2.2
60.04451	13.4
61.01068	3.1
63.90664	2.0
65.03877	3.3
67.05426	26.8
67.42132	2.1
69.03343	52.2
69.06980	12.7
70.06507	100.0
71.04894	5.1
71.06847	3.4
71.26910	1.9
72.08067	57.9
72.75218	2.1
74.05983	13.7
79.05409	19.7
81.03342	25.2
81.06960	32.7
83.04897	14.7
83.06024	9.7
83.08565	2.3
84.04425	46.6
84.08064	74.8
85.02819	38.2
86.09620	63.2
87.05533	3.5
88.03911	5.0
91.05402	54.1
92.42625	2.4
93.04434	4.4
93.06976	80.3
95.04891	63.2
95.06000	3.3
95.08509	21.4
96.04438	2.8
97.02828	18.2
97.06451	9.3
98.97519	3.4
99.04380	4.8
101.07085	3.6
102.05482	14.3
103.05391	4.4
105.06980	84.7
107.04890	5.9
107.08537	19.4
109.02817	10.0
109.06470	48.2
109.10104	5.7
110.06436	3.3
110.07119	62.6
111.04392	27.6
111.08027	6.0
112.08689	5.6
113.61615	2.4
115.08583	3.4
116.06222	3.5
116.07024	4.8
117.06956	15.7
119.04881	11.9
119.08537	76.1
120.08055	37.2
121.06450	33.0
121.10079	16.2
123.04382	4.8
123.07996	13.1
125.05953	3.3
127.03908	5.4
128.06177	13.5
129.07007	10.1
129.10194	39.9
130.07741	4.7
130.15881	10.6
131.04840	3.2
131.08531	39.5
133.06415	5.3
133.10107	46.6
135.08012	22.6
135.11649	2.6
136.07578	27.4
137.05965	12.7
139.03860	9.3
141.06927	10.4
142.07787	19.1
143.08528	29.7
144.09279	4.2
145.06438	13.3
145.10115	57.9
146.07196	5.4
147.04398	4.6
147.08032	18.6
147.11652	11.2
149.05946	5.7
149.09634	3.4
149.13281	3.0
151.07510	4.5
155.08463	11.5
156.09271	4.6
157.10110	30.8
158.07260	17.5
159.08037	27.6
159.11649	27.8
160.08734	2.9
161.09578	64.1
163.07486	8.7
165.09087	3.5
168.09373	9.0
169.10066	3.6
171.08012	10.7
171.11592	9.9
172.08788	11.3
173.09547	12.5
173.13248	24.2
175.07475	19.9
175.11214	16.1
175.14822	4.5
177.09035	9.1
177.12714	4.5
183.11612	10.4
185.09531	5.1
185.13144	2.7
187.11211	19.6
189.09085	23.4
193.10059	3.9
193.15866	3.6
196.08800	14.4
197.10234	2.5
199.11105	4.3
201.12714	23.5
203.10617	15.2
205.12178	5.4
211.11063	20.1
211.16795	2.8
217.12202	4.4
219.13754	11.3
229.12178	18.7
247.13226	83.7
265.14316	8.9
320.32928	2.5
362.58646	2.8
391.17358	15.0
409.18735	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	409.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81774	0.3
60.71851	0.5
74.02342	0.6
81.02405	0.4
82.59515	0.4
88.12751	0.4
91.05410	0.9
92.10576	1.8
95.89445	0.4
102.98769	0.4
115.05392	2.8
116.74319	0.5
117.05700	2.0
117.06962	2.0
118.06489	31.9
130.06523	3.1
130.07307	0.5
132.08055	8.7
142.06491	3.4
143.07307	4.3
144.08058	22.3
146.05980	100.0
159.09123	10.2
160.07568	0.9
162.88918	0.4
170.05981	7.2
188.07021	96.6
189.07347	2.5
205.09692	24.2
293.36465	0.4
390.74911	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96235	2.5
56.96498	39.7
67.57582	1.7
69.74418	1.4
70.28633	1.6
71.95173	2.1
74.97509	1.7
77.13781	1.4
78.11463	1.4
89.84233	1.4
92.47937	1.5
97.19257	1.6
97.71643	1.7
97.96706	4.0
103.87787	1.8
110.97529	1.9
115.97787	8.8
128.98567	7.8
133.98825	3.0
146.99646	12.0
160.00435	2.5
165.00772	2.4
173.01283	1.7
183.66174	1.7
185.04842	3.7
185.98344	2.0
189.04393	2.7
203.05943	7.5
213.07939	2.8
216.02933	1.8
216.06799	2.5
217.03900	1.8
217.07509	8.3
223.08337	3.0
225.07944	1.9
231.09032	9.1
239.09505	8.7
241.11116	31.3
242.08147	3.2
243.09055	2.4
255.08955	2.0
257.10400	11.8
259.12119	76.1
260.09283	2.0
267.08975	2.6
269.10568	2.7
271.12067	2.1
280.09680	2.1
285.10034	2.6
287.11496	3.1
297.10074	6.8
298.10751	6.9
299.11478	2.0
316.11887	3.5
331.15726	6.9
349.16760	44.6
367.17810	100.0
368.18167	3.1
385.18839	10.9
390.19479	2.8
409.25351	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	409.243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62117	1.0
53.03879	5.2
55.01802	1.9
55.05441	13.4
56.04959	5.2
57.03363	2.6
57.06992	2.2
60.04453	1.8
61.02840	3.2
67.05429	17.7
67.16376	1.2
69.03343	17.7
69.06982	27.6
70.06505	32.3
71.04910	9.2
72.08067	15.3
74.05982	3.0
79.05420	10.1
81.03337	12.5
81.06967	40.4
83.04893	6.0
83.05999	1.5
83.08530	7.4
84.04417	14.0
84.08066	25.3
85.02819	30.4
85.06481	9.6
86.09144	2.3
86.09622	44.1
88.03902	5.1
91.05391	17.8
93.06966	45.4
93.07516	2.3
95.04887	21.4
95.08527	42.6
95.09135	1.6
96.08064	1.4
97.02818	14.7
97.06449	2.6
97.10092	5.8
99.04387	10.7
99.08023	35.8
101.07097	1.4
102.05460	1.9
103.03876	5.6
103.05396	2.3
105.06969	38.6
107.08530	71.7
108.56272	1.2
109.02826	6.4
109.06445	13.2
109.10107	16.6
110.07109	5.7
111.04382	5.9
111.08024	9.8
112.08724	2.7
115.05351	1.4
116.98547	1.4
117.06966	7.1
119.04861	2.2
119.08527	69.8
120.08038	5.2
120.08844	1.6
121.02829	1.6
121.06449	9.3
121.10086	26.7
123.04349	2.3
123.08010	5.9
123.11671	9.2
125.09505	1.6
127.03876	16.5
129.06979	1.8
129.10199	11.5
131.08549	10.3
133.10085	77.6
135.08000	3.1
135.11649	43.3
136.07533	9.4
136.12010	1.8
137.09570	8.2
142.07730	2.7
143.08530	6.4
145.04945	2.3
145.06432	2.2
145.10080	14.5
147.07973	2.9
147.11647	9.2
149.13229	6.9
155.10645	2.7
156.10167	6.8
157.10075	6.3
158.07257	2.6
159.07990	5.7
159.11642	8.8
161.09566	12.8
163.06052	2.3
163.07501	2.0
163.14771	100.0
165.05421	1.6
172.08780	5.2
173.09579	2.0
173.13217	5.8
175.07591	2.5
175.11150	2.3
175.14761	50.7
177.09030	1.7
178.18222	1.5
181.15816	17.2
183.11549	2.5
193.15828	22.1
199.16884	16.8
201.12335	14.4
203.10585	2.5
211.11137	5.3
211.16879	37.5
217.12503	2.0
219.13760	2.0
229.11975	5.6
229.17937	36.1
247.13246	23.3
265.14349	2.1
289.09109	1.6
409.18503	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	409.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01792	1.9
55.05444	27.2
56.04954	8.6
56.96481	1.7
57.03374	11.2
57.06995	3.7
59.04910	2.1
60.04445	3.8
61.02845	2.5
62.88953	1.3
66.37612	1.7
67.05421	32.0
69.03342	16.6
69.06978	42.3
70.02865	1.7
70.06502	64.7
71.04601	1.6
71.04911	21.8
71.06836	2.5
72.08061	39.5
73.02810	1.9
73.06463	1.5
74.05965	7.6
79.05396	22.8
81.03325	3.0
81.06966	86.5
82.10110	1.5
83.04887	8.2
83.06013	2.6
83.08529	17.1
84.04416	24.7
84.08055	51.7
85.02820	31.6
85.06444	6.3
86.09615	72.0
87.04377	10.5
87.05489	8.0
88.03915	3.7
91.05399	40.6
93.06960	56.1
95.04900	11.0
95.08524	100.0
96.08012	3.2
97.02808	9.8
97.06443	12.8
97.10080	7.6
98.02323	7.0
98.05991	1.4
98.09602	1.5
98.97475	2.2
99.04348	3.2
99.07993	14.5
101.05952	12.8
101.06989	1.6
102.05457	8.5
103.05373	3.2
105.06964	55.6
107.04811	5.8
107.08526	70.2
109.02816	2.9
109.06441	5.9
109.09399	2.6
109.10095	54.7
110.07111	28.4
110.09653	1.8
111.08017	6.8
112.08663	3.8
115.07499	11.8
116.06990	2.5
116.98562	2.5
119.04863	5.8
119.08523	91.0
120.08054	12.3
121.06441	2.7
121.10073	32.9
123.07983	6.4
123.10882	1.9
123.11652	17.6
123.77777	1.7
124.07575	1.9
125.05898	1.6
127.03895	2.7
127.07472	2.3
129.10194	24.0
130.04967	3.9
130.08549	1.6
131.08495	3.3
133.02805	2.8
133.06027	2.0
133.10085	72.3
134.99596	1.8
135.11620	32.5
136.07518	17.9
137.05923	6.2
137.09579	2.8
137.13216	13.1
138.09149	2.1
141.10205	10.9
143.08504	1.6
145.10028	2.8
147.04367	3.0
147.11655	31.3
149.13199	18.8
151.03870	2.2
151.11131	2.7
155.11757	8.9
159.07904	2.4
161.09529	6.0
163.14754	64.5
165.05379	2.5
167.06880	1.8
175.14767	92.7
177.00708	1.6
181.15793	6.3
182.08138	2.0
183.11325	2.2
187.10939	1.9
193.04935	8.4
193.15811	35.6
199.16838	17.9
200.13942	15.4
202.10735	2.1
206.72772	1.9
211.13246	1.7
211.14870	1.9
211.16875	53.6
228.13263	2.8
229.17932	30.7
247.13226	2.7
247.18973	60.2
248.19263	2.2
277.50247	1.6
409.14709	1.6
409.23926	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05454	18.0
56.96486	10.2
57.06982	2.6
57.67466	1.9
58.99500	2.2
59.04911	2.9
67.05407	17.0
69.03337	2.9
69.06978	39.5
70.06503	46.0
71.04909	4.2
72.08051	10.9
79.05398	9.1
81.06970	54.8
83.08515	13.3
84.04411	3.3
84.08054	13.1
85.02806	10.3
85.06474	18.5
86.09616	35.0
91.05389	12.9
93.06956	14.4
95.04863	2.1
95.08527	100.0
97.06448	3.2
97.10106	4.8
98.05966	2.7
99.08020	8.9
105.06963	15.3
105.59618	2.4
107.08517	8.9
109.10104	32.3
110.07099	8.4
111.08024	3.7
111.11691	3.6
113.09607	2.7
119.08524	16.7
120.08045	9.6
121.10074	5.4
123.08035	4.1
125.09583	2.5
129.10199	9.1
132.10197	2.4
133.10060	20.1
135.11621	9.1
137.05946	4.1
137.13049	2.7
141.28810	2.3
147.11644	5.2
149.13232	12.7
151.14780	45.6
153.63612	2.2
175.14757	39.7
193.15828	40.6
211.16910	31.5
229.17912	23.4
247.18906	3.4
272.91434	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	409.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84671	0.8
56.96501	2.3
81.06955	1.6
81.49876	0.9
95.08468	1.3
105.06931	1.3
107.08546	1.1
120.14180	1.1
121.10100	1.4
126.76110	1.1
145.96907	1.0
160.73788	1.1
171.25061	1.1
173.61618	1.1
226.53297	1.1
234.16219	0.9
319.22751	1.7
369.19070	1.4
409.25534	100.0
410.26178	1.2
432.97119	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74156	1.4
52.24171	1.2
58.24207	1.5
63.32958	1.4
76.25039	1.6
95.86661	1.8
104.35277	1.6
108.15595	1.6
138.53023	1.6
192.92523	1.6
409.25522	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24726	0.6
55.48168	0.5
77.32964	0.6
97.80626	0.7
116.21664	0.6
127.79884	0.7
137.05951	1.2
172.51100	0.8
267.70755	0.6
296.01810	0.7
312.98682	0.7
397.41949	0.6
409.25497	100.0
410.25702	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	409.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19723	1.0
56.96498	2.0
63.28586	1.4
63.33946	1.5
64.33358	1.1
67.05420	1.7
81.14502	1.5
95.08501	1.4
118.14953	1.5
134.27029	1.7
175.74721	1.3
259.12164	1.5
349.16586	2.2
367.17987	6.6
409.25531	100.0
410.25589	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	20.5
55.27433	2.0
57.07000	10.9
61.94117	2.0
67.05423	21.3
69.06989	45.8
71.08497	2.3
79.05396	15.8
81.06973	51.7
83.08527	11.6
85.58977	2.3
91.05396	21.5
93.06969	67.1
95.04847	4.1
95.08529	100.0
97.10112	4.7
104.37100	2.5
105.06966	55.0
107.08533	82.3
109.06471	2.2
109.10105	64.6
109.10841	2.6
111.11667	2.4
117.06965	8.8
119.08530	63.2
121.10086	68.4
123.11648	26.6
131.08519	15.8
133.10091	57.4
135.11670	35.4
137.13223	11.6
143.08501	3.7
145.10086	36.2
147.11650	32.4
149.09561	2.5
149.13271	16.3
157.10109	13.8
159.11668	26.4
161.13182	22.3
163.11096	11.7
163.14767	14.8
169.09999	3.8
171.11620	12.1
173.13177	20.7
175.14775	21.6
177.12671	3.0
177.16330	31.8
185.13278	10.0
187.14769	25.9
188.98894	2.1
189.16309	24.9
190.45892	2.3
191.17888	15.4
199.14821	3.4
201.16382	15.3
203.17902	32.6
205.15810	3.8
205.19501	3.5
213.16460	4.6
215.18022	2.7
217.19540	3.9
227.17841	2.6
229.19510	11.0
231.17300	3.7
231.21078	3.4
238.05733	2.5
243.21060	4.5
245.18965	8.6
253.19313	3.1
255.20955	9.0
285.21954	2.8
295.55838	2.3
391.33301	9.7
407.54886	2.4
409.29141	3.5
409.34598	82.0
410.34711	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	410.1651
Annotation	Linustatin
Peak:m/z	Relative Intensity
50.03576	0.5
52.71780	0.5
53.03879	1.4
55.01802	3.3
57.03373	6.7
59.04932	1.1
60.04451	0.6
61.02855	14.9
69.03344	25.5
70.06483	0.9
71.04916	1.4
72.08038	0.6
73.02828	5.8
81.03333	9.2
83.01282	1.1
84.04418	0.8
85.02824	100.0
86.03152	0.7
86.05975	0.7
87.04391	3.5
87.55830	0.7
91.03883	6.8
97.02817	27.7
99.04378	4.4
104.07045	0.9
109.02821	9.5
110.05976	1.0
112.03925	0.8
114.29819	0.6
115.03915	0.7
115.69068	0.6
120.08047	0.6
126.05424	0.6
127.03870	17.7
144.06535	0.9
145.04929	25.0
152.07057	3.6
163.05971	8.4
170.08101	0.6
183.71533	0.6
188.09108	0.7
201.48299	0.6
222.38893	0.8
230.10321	0.9
248.11238	18.8
248.79051	0.7
319.00635	0.7
410.16379	3.5
418.78909	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1656
Annotation	Linustatin
Peak:m/z	Relative Intensity
51.43803	1.2
53.00225	1.6
53.03878	2.3
55.01799	2.3
55.05434	2.3
56.04982	1.6
56.96495	3.8
57.03360	8.5
59.04935	5.8
60.04443	2.1
61.02838	10.5
65.03862	1.8
67.05412	3.8
69.03342	38.3
70.02867	1.7
70.06504	7.2
71.04890	1.7
72.04419	6.6
72.08054	12.1
73.02826	5.7
81.03323	9.2
82.02851	1.6
84.04422	22.4
84.08032	5.3
85.02347	2.1
85.02824	55.4
85.04765	1.5
86.05991	3.1
86.09625	13.9
87.04385	3.4
88.03903	8.6
91.05381	11.6
92.10907	2.0
93.34921	1.5
94.06496	5.4
95.04897	3.0
96.04419	1.8
97.02815	35.4
98.05977	20.3
98.97492	2.6
99.04379	3.0
99.06273	2.5
100.03867	1.9
102.05457	3.8
103.05358	2.5
107.04893	1.6
109.02809	7.6
112.03928	7.6
112.07539	2.0
114.25337	1.8
115.03892	1.9
116.07015	2.0
116.98531	2.0
117.99536	2.5
119.04866	3.6
120.08044	54.1
122.05983	11.0
123.04375	2.2
124.03886	1.8
124.07563	3.8
126.05466	3.1
127.03870	12.1
128.07019	6.8
130.06480	13.3
131.08476	1.6
134.99619	1.9
136.07536	19.2
137.05923	9.7
138.06285	1.7
139.03912	15.5
140.07018	30.5
141.05437	3.9
144.06488	3.0
145.04956	2.8
148.05989	6.3
151.03877	100.0
151.04996	7.1
152.07060	20.6
155.01569	11.4
158.08116	9.6
160.02747	3.0
163.03793	2.5
165.05431	2.2
166.08543	2.2
170.08040	2.7
172.07587	2.1
175.07262	1.8
175.08659	7.7
177.00731	2.4
182.08086	8.8
190.08708	3.0
193.23885	1.7
194.08125	13.7
197.04420	6.3
204.03717	2.7
212.09126	7.8
222.04659	1.8
224.55756	2.2
229.11826	2.0
230.10175	8.1
235.10712	15.3
242.04730	2.2
248.11226	98.7
249.11497	2.8
257.02591	1.6
263.10117	2.5
272.05994	1.6
303.03073	2.6
410.16504	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	410.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43803	1.2
53.00225	1.6
53.03878	2.3
55.01799	2.3
55.05434	2.3
56.04982	1.6
56.96495	3.8
57.03360	8.5
59.04935	5.8
60.04443	2.1
61.02838	10.5
65.03862	1.8
67.05412	3.8
69.03342	38.3
70.02867	1.7
70.06504	7.2
71.04890	1.7
72.04419	6.6
72.08054	12.1
73.02826	5.7
81.03323	9.2
82.02851	1.6
84.04422	22.4
84.08032	5.3
85.02347	2.1
85.02824	55.4
85.04765	1.5
86.05991	3.1
86.09625	13.9
87.04385	3.4
88.03903	8.6
91.05381	11.6
92.10907	2.0
93.34921	1.5
94.06496	5.4
95.04897	3.0
96.04419	1.8
97.02815	35.4
98.05977	20.3
98.97492	2.6
99.04379	3.0
99.06273	2.5
100.03867	1.9
102.05457	3.8
103.05358	2.5
107.04893	1.6
109.02809	7.6
112.03928	7.6
112.07539	2.0
114.25337	1.8
115.03892	1.9
116.07015	2.0
116.98531	2.0
117.99536	2.5
119.04866	3.6
120.08044	54.1
122.05983	11.0
123.04375	2.2
124.03886	1.8
124.07563	3.8
126.05466	3.1
127.03870	12.1
128.07019	6.8
130.06480	13.3
131.08476	1.6
134.99619	1.9
136.07536	19.2
137.05923	9.7
138.06285	1.7
139.03912	15.5
140.07018	30.5
141.05437	3.9
144.06488	3.0
145.04956	2.8
148.05989	6.3
151.03877	100.0
151.04996	7.1
152.07060	20.6
155.01569	11.4
158.08116	9.6
160.02747	3.0
163.03793	2.5
165.05431	2.2
166.08543	2.2
170.08040	2.7
172.07587	2.1
175.07262	1.8
175.08659	7.7
177.00731	2.4
182.08086	8.8
190.08708	3.0
193.23885	1.7
194.08125	13.7
197.04420	6.3
204.03717	2.7
212.09126	7.8
222.04659	1.8
224.55756	2.2
229.11826	2.0
230.10175	8.1
235.10712	15.3
242.04730	2.2
248.11226	98.7
249.11497	2.8
257.02591	1.6
263.10117	2.5
272.05994	1.6
303.03073	2.6
410.16504	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	410.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36657	0.1
55.01790	0.3
55.05442	0.9
56.04976	0.2
56.05749	0.1
56.96494	0.3
57.03360	0.1
57.99747	0.1
59.93251	0.1
60.04457	0.6
61.02857	0.2
65.03847	0.2
67.05414	0.8
68.05003	0.1
69.03362	0.3
69.06979	0.8
70.03642	0.1
70.06508	3.2
71.04917	0.2
72.06213	0.1
72.07790	0.1
72.08071	2.0
74.06007	0.2
79.05022	0.1
79.05400	1.2
81.03348	0.2
81.06980	1.6
81.28568	0.2
82.07289	0.2
83.04900	0.2
84.04433	1.3
84.08074	2.9
85.02826	1.1
86.09625	3.2
87.09969	0.2
88.03920	0.6
91.05419	1.7
93.06966	1.0
94.04098	1.8
95.04872	0.7
95.05995	0.2
95.08549	1.5
96.08843	0.3
97.02806	0.2
98.05970	0.2
98.97530	0.7
99.04330	0.3
102.05474	0.3
103.05389	0.7
105.06982	0.6
107.04911	0.7
107.08539	0.7
108.08830	0.2
109.06452	1.0
109.10092	0.9
110.07114	1.1
110.10388	0.2
111.04395	0.3
115.05398	1.2
116.98566	0.3
117.06943	0.3
119.04877	0.7
119.08540	0.3
120.08041	1.6
121.06458	1.0
121.10087	0.7
122.03605	6.2
125.05929	0.3
129.10175	1.2
131.04898	1.5
133.02852	0.3
133.10121	0.7
134.03595	0.2
135.04340	0.2
135.06676	0.2
135.11667	0.9
136.07602	1.7
137.05956	100.0
138.06282	1.0
138.09941	0.4
139.10284	0.2
143.04919	1.3
145.06441	0.6
146.03687	0.2
146.05997	0.6
147.04425	0.4
147.08090	0.3
149.05945	1.2
149.09587	0.2
151.03864	0.6
151.07542	0.7
153.05408	0.2
153.06996	0.2
159.04411	0.4
160.05164	0.8
161.05951	3.6
163.07516	0.6
165.06978	1.0
167.08473	0.3
170.06137	0.2
172.05165	0.3
175.07507	3.1
175.14824	0.2
176.04713	0.3
176.15027	0.2
177.00565	0.2
177.05475	0.3
177.09109	0.2
178.07693	0.4
179.07042	0.3
179.08498	2.0
181.06441	0.8
189.06924	0.3
191.06975	3.2
191.08453	0.3
193.06488	1.3
193.15904	0.2
194.07242	0.9
194.16148	0.7
195.08032	0.7
196.08817	0.2
197.09508	0.2
203.06963	1.9
205.06522	1.1
207.08054	2.2
209.06059	0.3
209.07939	0.2
210.06712	1.0
211.07570	0.6
217.06467	0.3
218.07201	0.2
219.08093	0.4
221.05945	1.9
221.07967	0.4
221.50508	0.2
222.06723	0.9
223.07480	0.4
224.08310	0.9
225.09044	2.1
233.05975	0.7
234.06703	1.2
235.07468	1.4
236.08253	0.3
237.09088	1.9
238.06259	0.8
239.07001	0.2
239.10645	1.1
241.08629	0.3
247.07509	0.3
249.09093	1.4
250.06105	0.2
251.06915	1.3
251.10373	0.8
252.07799	0.9
253.08481	3.3
255.06502	0.3
255.10158	0.2
262.06247	0.3
263.06915	0.4
265.08517	4.2
266.09268	0.9
267.10092	3.5
269.08160	0.3
270.08813	0.6
277.08511	2.0
279.06491	0.6
279.10028	0.6
282.08829	0.3
283.09528	0.2
285.11160	3.1
285.13940	0.2
294.08820	1.8
295.09601	0.7
296.10327	0.2
297.11151	2.4
299.12732	0.7
307.09436	0.2
309.11084	5.0
315.12512	0.2
327.12131	2.3
345.13260	11.4
346.13507	0.3
357.13309	0.3
410.18787	0.6
411.19925	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1919
Annotation	Leu-Asp-Tyr
Peak:m/z	Relative Intensity
55.01793	0.7
55.05448	5.0
56.04962	3.1
56.48941	0.4
56.96499	1.0
57.03366	0.7
60.04457	5.9
60.05560	0.6
61.02845	0.7
67.05424	2.9
69.03343	3.4
69.06991	7.4
70.02863	1.0
70.06507	18.3
71.04896	3.1
71.06828	0.5
71.11230	0.4
72.08069	11.0
73.02551	0.4
73.02831	6.8
74.05983	1.3
79.05403	2.9
81.03338	2.5
81.06969	5.8
83.04904	0.8
83.06038	0.6
83.08525	3.2
84.04430	7.7
84.08064	20.6
85.02821	12.4
85.03937	2.4
85.06448	0.9
85.08386	0.8
86.09624	100.0
87.09946	0.6
87.11855	0.6
88.03916	15.4
91.05398	6.9
93.06987	3.8
95.04878	2.5
95.08527	10.9
96.04420	0.9
96.08061	5.6
97.02837	3.3
97.06442	0.7
98.02346	7.6
98.05919	0.6
100.03913	8.6
101.67178	0.5
102.05481	2.5
105.06959	0.8
105.93713	0.5
107.08543	5.2
109.06516	0.8
109.10103	2.6
110.07122	7.2
110.09606	1.2
112.08684	0.8
113.10698	4.3
115.05042	0.6
115.08641	0.7
116.01623	0.7
118.01147	0.7
119.04899	7.3
119.08518	0.6
120.08058	5.1
121.10101	5.0
123.04379	8.9
123.11658	0.9
125.09567	0.6
127.03870	2.5
127.04990	0.8
129.10184	10.6
130.04971	0.9
130.08609	0.8
131.08521	0.7
133.10069	0.7
134.10477	1.0
135.11618	1.0
136.07550	31.4
137.05925	2.1
137.13231	2.8
138.09085	6.5
141.10202	16.0
142.05020	0.6
142.08607	1.0
142.18346	0.6
145.04922	1.1
147.04324	4.3
155.11761	2.0
156.10162	14.7
164.01753	0.7
165.05440	11.6
166.08620	0.9
177.14993	0.5
177.16322	4.1
182.08076	11.1
183.11241	7.1
183.15012	0.6
184.09668	4.9
195.17393	1.2
201.12303	66.5
204.51993	0.5
213.18439	4.1
219.54080	0.5
229.11755	14.0
295.16412	0.7
302.11655	0.6
410.14261	2.4
410.18695	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01063	0.7
55.01805	1.2
55.05221	0.7
55.05443	6.4
56.04966	4.8
56.96489	0.8
57.03363	4.2
57.07006	1.1
57.11314	0.7
60.04448	6.4
60.16366	0.7
61.02856	1.7
67.05417	4.7
68.04939	0.9
69.03045	0.8
69.03352	9.5
69.06980	5.0
70.02871	3.0
70.05451	0.7
70.06503	36.8
71.04907	4.1
71.06830	0.8
72.08061	13.7
74.05980	5.2
79.05398	9.3
81.03328	3.5
81.06969	12.6
83.04895	1.7
83.06013	1.3
83.08540	1.6
84.04421	13.6
84.07597	1.3
84.08064	29.0
85.02824	26.5
85.03940	20.6
85.06466	0.9
85.08369	1.1
86.09621	37.8
87.04386	3.9
87.09985	1.3
88.03910	15.4
91.05399	21.6
93.06962	12.6
95.04883	3.2
95.06044	1.0
95.08529	11.3
97.02821	9.7
97.06449	1.3
97.10095	0.8
98.02334	4.8
98.05965	1.2
99.08019	1.1
101.07077	1.3
101.93671	0.9
102.05472	3.3
103.05391	1.6
105.06976	4.6
107.04885	10.6
107.08514	9.9
109.02820	1.6
109.06444	2.8
109.10107	5.0
110.07123	12.2
112.08633	1.1
115.03861	6.4
116.98531	1.0
117.06948	1.0
118.06496	1.0
119.04890	18.0
119.08553	1.1
120.08044	12.2
120.08811	1.1
121.06461	1.7
121.08378	1.9
121.10080	6.4
123.11660	1.8
125.06004	1.1
125.09599	1.4
126.05431	1.7
127.03864	3.8
129.10205	15.6
130.06551	0.8
131.04945	0.9
132.08060	1.6
132.10143	4.4
133.04938	3.5
133.10109	5.1
135.06760	16.8
135.11644	43.7
136.07545	100.0
136.11899	0.8
137.05957	16.9
137.07883	1.6
137.13159	1.7
145.04973	2.8
146.05975	41.4
147.04410	1.1
149.13228	4.1
151.11276	1.0
154.04968	1.0
155.08151	0.9
159.11610	1.1
160.07530	12.8
163.05966	1.0
173.05827	0.8
173.12874	3.3
174.05457	1.2
176.03647	0.9
177.12721	3.0
177.16344	6.6
188.07018	12.1
191.08203	6.8
195.13724	5.9
198.05441	1.0
206.08110	12.9
213.14798	6.1
213.18459	3.8
233.09163	4.8
234.07552	1.9
251.10201	56.8
252.10583	0.8
279.09738	11.0
294.08719	1.0
309.11349	1.1
353.65784	0.9
409.18088	2.9
410.19510	13.5
411.19830	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	410.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	8.3
56.96238	2.2
56.96501	46.8
60.47242	1.1
67.05453	1.5
69.01746	0.9
69.06979	2.3
71.95186	1.7
72.95948	1.6
74.42111	1.0
74.97549	1.3
75.53856	1.0
76.42558	1.1
83.08546	6.0
85.02825	1.4
92.10798	1.6
93.06977	2.0
97.96719	1.2
98.37291	1.2
128.98586	2.0
141.02255	1.3
146.99641	6.7
147.91142	1.2
155.03787	3.0
161.01122	1.5
165.00696	1.5
171.03227	2.6
173.04839	1.8
183.03230	1.3
183.06908	1.3
185.04823	1.9
187.06421	2.3
189.04414	2.3
197.08443	1.6
199.06377	6.4
201.04390	2.2
201.07874	2.0
203.05898	6.0
211.06380	2.8
213.07956	11.7
213.18520	2.7
217.07426	17.4
219.08997	2.0
225.07941	5.7
229.07443	36.9
231.08969	25.9
237.07933	1.9
239.09471	6.8
241.11055	11.1
243.09004	9.1
247.08507	47.2
251.09520	4.7
252.09288	1.5
255.09044	5.1
257.10635	8.1
259.12125	20.2
269.10529	46.3
270.10709	1.6
271.12027	2.0
273.09866	2.2
287.11627	35.0
309.17465	1.5
310.52936	1.3
315.16248	1.4
333.17346	23.1
351.18365	50.4
369.19397	100.0
370.19412	2.2
374.19977	2.0
387.20462	85.6
388.20602	4.6
410.21786	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51456	2.7
55.05445	12.0
57.03373	5.2
57.07004	69.3
67.05416	18.6
69.06984	12.7
71.01360	3.0
71.08549	35.6
79.31527	3.1
81.06969	23.7
83.08529	7.8
85.10109	25.3
89.05958	4.8
89.56016	3.2
95.08521	35.1
97.10065	6.1
98.98384	95.4
107.08498	3.4
109.10114	14.8
116.99464	4.4
123.11739	3.0
155.01003	100.0
186.90698	3.6
202.73410	3.0
239.23622	15.1
393.23904	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	410.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	37.9
56.60882	3.9
56.96499	21.5
57.07007	18.9
59.04926	5.1
63.94828	4.3
67.05423	5.4
69.03347	23.7
69.06977	49.9
71.08547	10.4
73.60036	4.5
79.05392	8.9
81.06978	36.8
83.08528	46.8
84.08078	5.6
85.02818	57.1
93.06951	21.0
95.08514	29.4
97.02797	11.6
97.10085	52.0
98.97527	21.0
104.51096	4.4
105.06946	5.7
107.08520	31.0
109.10101	10.4
111.08012	7.2
111.11667	5.4
115.07503	4.4
116.98572	7.1
121.10095	22.6
125.09623	5.1
127.03940	6.6
131.08585	4.7
134.99590	7.7
135.11670	5.0
139.11154	4.9
153.16356	8.4
167.07045	6.0
177.16368	41.7
189.70668	4.5
195.17424	32.4
213.18460	100.0
312.57770	5.2
356.30728	5.5
410.20435	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	410.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90365	0.9
55.05447	35.9
57.03374	4.0
57.06773	1.2
57.07006	20.4
59.04937	7.9
61.02850	2.4
67.05428	8.2
69.03351	9.0
69.06986	52.9
70.07350	1.0
71.04913	2.2
71.08545	18.5
73.06452	2.1
74.76691	1.0
77.54880	1.0
79.05397	5.4
81.03325	1.3
81.06974	25.7
83.04884	1.3
83.08537	46.6
85.02357	1.1
85.02827	26.7
85.06467	1.9
85.10114	2.4
93.06959	20.4
95.08522	24.1
97.02811	6.5
97.06441	4.3
97.10098	52.5
103.10563	1.0
107.08537	22.8
109.02815	2.2
109.10107	8.7
111.08011	12.8
111.11662	12.4
113.09538	1.1
115.07461	1.7
116.98569	1.1
121.10098	25.0
123.11636	6.2
125.09548	6.2
127.03885	1.9
129.09032	1.5
134.99597	1.1
135.11655	10.8
137.13159	2.0
139.11133	6.0
149.02304	1.5
149.13203	1.8
153.16328	14.3
170.23088	1.2
177.16348	52.6
178.16714	1.1
182.59778	1.2
193.04880	1.7
195.17422	37.7
213.18449	100.0
214.18768	2.4
237.07494	1.4
282.37234	1.3
294.41257	1.2
341.41339	1.0
385.59872	1.2
410.25003	1.1
411.10519	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03861	0.8
55.05440	3.9
67.05424	10.0
69.06989	16.1
79.05408	6.6
79.69940	1.0
81.06516	1.4
81.06973	38.1
82.07266	1.0
89.05931	1.9
91.05373	3.6
92.10264	2.0
93.06958	10.8
95.08527	19.0
105.06989	7.2
107.04882	1.8
107.08514	7.2
109.10103	7.1
119.08511	4.7
120.92655	0.8
121.06473	1.4
121.10075	8.0
122.07227	5.5
123.08038	10.2
123.11662	2.0
133.10042	1.6
135.08011	4.3
135.11629	1.8
137.05954	1.8
142.93605	0.8
144.09222	0.9
149.13237	1.4
150.06747	10.7
151.07518	100.0
152.08194	4.9
163.07526	2.2
163.11084	1.3
164.08249	2.0
165.09027	0.9
175.07455	1.9
175.11130	2.1
176.08253	1.3
177.09015	4.1
177.16312	0.9
188.08188	1.2
189.09053	23.8
190.09775	1.1
191.10622	16.1
197.03281	1.0
201.12549	1.0
203.10631	13.6
203.17787	1.0
204.11006	4.3
205.12209	2.0
206.12941	3.6
217.12164	1.9
229.12135	1.3
231.13721	1.6
240.49316	0.9
410.31601	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50345	1.1
53.41673	1.0
53.62845	1.0
54.41066	1.4
55.03102	1.3
57.03381	1.1
57.06740	1.9
57.07012	52.5
69.06984	2.2
71.08546	32.3
73.06436	1.8
81.06967	2.8
83.08508	1.9
85.10110	17.4
87.04351	2.1
89.05949	100.0
93.08204	1.3
95.08524	5.7
98.98386	12.9
107.07005	3.4
108.33545	1.4
133.08556	31.6
135.49916	1.4
139.38062	1.4
155.01009	13.1
164.73248	1.3
177.11205	6.5
197.84177	1.5
199.40677	1.7
216.69925	1.4
239.14839	34.4
278.57144	1.3
280.50812	1.4
304.65295	1.5
313.27472	2.5
357.84381	1.5
393.23822	2.3
393.31998	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1775
Annotation	desoximetasone
Peak:m/z	Relative Intensity
65.74675	1.7
70.06509	9.6
72.08089	2.1
74.99677	1.6
81.06971	2.5
81.43726	1.7
84.04423	2.8
84.08051	3.0
84.63411	2.3
86.09625	4.4
118.62667	1.8
120.08049	2.9
126.43643	2.0
133.45038	1.9
141.61787	1.8
272.55441	1.9
411.17719	100.0
412.18100	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00249	1.1
53.03875	1.3
54.19239	0.8
55.01802	1.2
55.05447	0.7
56.77599	0.8
57.03376	34.6
57.07003	3.9
59.04931	6.5
60.04454	3.2
61.02853	6.3
69.03351	100.0
73.02828	3.9
73.06456	6.0
75.04409	8.0
77.00048	0.7
81.03326	3.9
81.06968	0.7
84.04432	3.3
85.02830	96.9
87.04395	57.3
90.98492	0.8
91.03900	3.0
96.82001	0.8
97.02826	93.1
98.03152	0.7
99.04395	4.0
100.07574	5.4
109.02809	1.8
114.05483	1.7
115.03883	64.8
120.08045	1.3
123.04338	1.0
124.07567	10.9
127.03888	11.4
133.04936	48.2
136.07513	0.9
137.06026	0.7
142.08601	3.2
145.04926	14.5
150.07652	7.5
150.90256	0.8
160.06018	4.5
163.06000	3.6
177.29802	0.9
211.38669	1.0
214.10681	4.9
232.11758	73.4
259.08026	1.6
262.12866	1.5
281.29688	0.9
295.10098	1.5
386.29099	0.9
394.16965	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	411.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00244	1.2
53.03881	1.3
55.01805	1.0
55.05450	2.1
56.96506	1.4
57.03371	21.9
59.04938	1.5
61.02853	4.1
69.03346	35.4
69.09840	1.1
70.06499	5.6
71.04903	41.7
72.08019	1.1
73.02808	4.2
73.47133	0.9
74.05976	1.8
75.04382	7.0
81.03329	4.9
83.04892	8.0
84.04424	4.6
84.08042	2.4
85.02824	100.0
85.32813	0.9
85.42044	0.9
86.09621	2.0
87.04396	22.9
91.03825	1.2
96.04416	1.2
97.02818	34.4
98.05980	6.7
98.97517	1.6
99.04395	1.5
109.02815	1.6
109.37332	1.0
110.05994	1.9
110.07112	6.6
111.04353	5.1
113.35349	1.0
114.05491	1.4
115.03891	18.1
116.98532	1.9
124.07516	6.2
127.03880	9.8
129.05415	11.8
133.04927	15.7
136.07579	1.3
139.03873	5.6
140.48505	1.1
142.08611	6.0
145.04948	11.2
147.06517	5.3
149.02344	1.2
150.05418	7.1
151.03845	1.1
163.06055	1.2
177.01846	2.0
179.03412	1.3
183.55292	1.0
188.09122	5.8
211.84851	1.1
232.11726	18.1
248.11121	1.1
262.12735	4.5
267.00217	1.0
279.07483	1.2
326.42844	1.2
377.08432	1.4
394.16919	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	411.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00240	2.2
53.03870	1.4
55.01805	1.2
55.05439	2.8
55.96520	1.1
56.04962	1.8
57.03371	33.1
57.06992	2.5
59.04922	7.2
60.04449	3.3
61.02861	4.5
64.18085	1.3
68.81515	1.2
69.03348	100.0
70.06514	12.0
71.01218	1.6
71.04900	8.7
72.08051	7.9
73.02826	4.9
73.06454	3.3
74.05991	1.9
75.04376	9.5
78.74295	1.2
81.03332	3.2
81.06972	2.1
83.04891	2.2
84.04413	9.3
84.08057	14.0
85.02824	95.1
86.05991	5.9
86.09616	3.2
87.04388	58.1
88.03875	1.3
91.03866	2.3
91.05389	6.9
92.67467	1.5
97.02819	75.3
98.97512	2.3
99.04370	2.7
99.07964	1.6
100.07533	3.2
102.05463	1.9
110.07092	8.2
114.05528	1.8
115.03870	51.2
116.07111	1.6
119.04846	2.2
119.08539	1.8
120.08065	9.9
121.08468	1.4
123.04407	2.4
124.07511	8.5
127.03860	9.0
129.10204	3.4
133.04927	44.9
135.04300	1.7
136.07529	7.0
137.05923	6.3
142.75926	1.5
145.04901	11.7
147.04318	2.4
150.07623	3.3
160.06017	2.2
163.05891	1.6
170.97859	1.3
214.10657	4.4
232.11758	59.5
295.10291	2.2
341.09958	3.1
359.11102	2.4
369.16864	1.4
394.17270	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	411.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32627	2.1
51.36056	1.9
53.00241	3.4
55.01801	2.2
55.05450	13.2
56.04976	10.2
57.03371	35.3
59.04922	4.6
60.04464	10.0
61.01079	2.5
61.02865	2.5
61.47271	2.2
61.83049	2.1
69.03350	100.0
69.07001	5.5
69.07529	2.2
70.06509	70.2
71.04908	3.7
71.06827	2.5
72.08072	47.0
73.02821	3.2
74.05994	9.3
75.04401	5.4
81.03326	5.4
81.06972	9.2
84.04436	29.1
84.08071	62.0
85.02831	75.3
85.06477	3.2
86.09628	38.8
87.04398	61.6
88.03913	4.7
91.05410	10.9
92.10172	2.5
92.10698	11.7
93.06976	10.7
95.08538	4.8
97.02824	82.3
97.87227	2.7
98.97515	3.4
102.05466	5.8
105.06985	3.9
107.04924	2.7
107.08529	4.5
110.07094	20.1
112.08708	4.1
115.03889	56.6
115.08633	3.2
116.07024	2.9
116.98573	4.5
118.08601	2.8
119.08495	3.6
120.08067	9.7
120.08873	2.6
127.03904	12.0
127.08733	2.6
129.10214	28.8
133.02795	3.0
133.04936	58.4
133.10072	3.7
136.06143	3.7
136.07552	10.4
137.06052	2.5
144.89748	2.6
145.04994	3.9
147.11595	2.7
150.07664	4.8
173.12801	2.2
176.15126	3.4
178.02574	2.5
193.04907	21.4
232.11749	54.7
394.17038	4.9
411.12485	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	411.1985
Annotation	Adapalene
Peak:m/z	Relative Intensity
53.58717	0.5
55.01793	0.5
55.05440	2.3
56.04965	1.3
56.96492	1.3
60.04435	0.6
64.77254	0.6
65.14584	0.5
65.73859	0.5
67.05420	1.1
69.03339	2.1
69.06995	1.1
70.06141	0.6
70.06509	14.7
72.08073	6.2
74.05985	2.4
74.66021	0.5
76.51511	0.5
81.03310	0.8
81.06964	1.2
81.59375	0.5
84.04414	4.8
84.07608	0.5
84.08072	11.3
85.02844	3.9
86.09628	13.5
87.09932	0.6
88.03884	0.6
88.64852	0.5
93.06960	0.7
95.04850	0.6
95.08529	0.9
96.08868	0.6
97.02859	0.7
98.97499	1.3
102.05470	1.2
103.03898	1.0
105.06981	1.2
107.08540	1.1
108.18410	0.5
109.10113	1.0
110.07102	4.2
115.08636	0.8
116.13142	0.7
119.04905	0.6
120.08063	7.1
125.20650	0.6
127.03889	1.3
129.10199	5.2
130.06503	0.6
131.04881	0.7
136.07539	1.3
136.89964	0.7
137.05939	2.2
156.10052	0.7
217.81006	0.6
237.02730	0.8
249.14630	0.9
389.76492	0.6
411.19803	100.0
412.20218	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	411.1985
Annotation	Adapalene
Peak:m/z	Relative Intensity
53.17543	0.5
55.05443	3.2
56.04984	0.8
56.96470	0.5
57.03371	0.6
57.07012	0.9
60.04454	0.6
62.42461	0.5
67.05434	2.2
69.03346	1.4
69.06989	4.0
70.06512	11.8
71.04907	0.7
71.08513	0.7
72.08071	4.5
73.07941	0.6
74.05989	0.6
79.05388	2.5
81.06972	4.2
83.08520	2.1
84.04424	4.1
84.08064	10.7
85.02844	5.0
86.09624	12.5
91.05389	2.0
93.06996	5.4
94.17598	0.5
95.07998	0.9
95.08522	7.2
96.08817	0.7
97.02827	1.3
103.05372	0.8
104.17477	0.6
105.06974	0.8
107.08546	4.8
108.08859	1.3
109.06406	0.6
109.10115	3.4
110.07121	4.0
112.08694	0.8
116.98593	0.9
120.08087	4.4
121.10080	6.4
122.10423	0.9
123.11696	1.0
129.10231	4.4
132.08055	0.9
135.11652	2.6
136.07591	0.9
137.05980	1.1
137.13246	0.7
139.11215	0.7
149.05966	0.6
149.51457	0.5
177.16353	7.9
178.16670	2.5
193.04890	0.8
195.17433	3.0
203.05226	4.5
213.18466	2.8
231.13748	0.8
231.19574	0.8
232.19940	0.6
249.07439	0.9
297.83734	0.6
411.19794	100.0
412.20068	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	411.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96241	2.1
56.96500	42.3
69.47050	1.1
71.95141	2.6
81.76947	1.3
82.66304	1.3
91.74664	1.4
121.77939	1.5
128.98511	6.5
131.00034	1.7
137.02721	1.6
146.99593	8.3
170.16269	1.4
176.81042	1.3
189.04298	1.5
199.06400	2.4
203.05978	2.3
204.06549	1.5
213.07957	3.1
217.07457	6.2
222.07729	1.6
223.10056	2.5
225.08052	2.9
231.08945	8.6
235.25105	1.6
239.09436	3.0
241.07292	2.1
241.11067	47.3
253.11018	2.2
257.10596	3.2
259.12091	100.0
269.10547	7.1
271.12201	1.6
282.13675	3.1
287.11652	2.7
333.17288	5.8
351.18356	29.2
359.53168	1.5
369.19391	90.9
370.19934	2.7
387.20313	10.1
392.20926	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	411.2501
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
53.00243	1.5
54.82005	0.7
55.05452	8.0
57.03370	15.7
57.07010	70.6
67.05134	1.0
67.05427	18.8
69.06977	11.1
71.08543	45.1
71.24505	0.8
75.04384	0.9
81.06972	18.8
83.08540	13.4
85.10098	21.3
87.48849	0.8
89.05952	1.0
93.06965	1.0
95.08524	30.2
97.10075	6.0
98.98392	100.0
99.11650	1.2
103.07500	1.4
106.24506	0.9
109.10100	12.4
116.99408	4.8
123.11651	3.5
137.13127	1.2
140.60640	0.8
151.14781	1.0
155.01006	73.2
172.38908	0.8
173.02066	1.5
221.22589	1.3
239.23630	13.1
257.24567	1.4
313.27280	51.1
314.27740	1.3
328.78647	0.9
351.35440	0.8
393.23868	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	411.2501
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
53.00243	1.3
55.05448	7.8
57.03372	13.9
57.07012	66.6
59.46169	0.8
67.05423	11.1
69.06985	12.6
71.08546	39.6
81.06980	17.2
83.08543	13.0
83.26498	0.7
85.10103	20.3
85.33092	0.9
93.06982	1.0
95.08527	25.7
95.09080	1.6
97.10111	8.9
98.98396	100.0
104.22182	0.9
106.62076	0.8
109.10110	9.1
116.99477	4.3
117.22147	0.9
123.11649	4.5
127.74085	0.7
138.83376	0.8
155.01012	72.1
173.02083	2.1
207.29713	0.9
239.23596	11.5
313.27301	32.9
393.23935	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	411.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03874	2.2
55.01804	8.1
55.05453	23.0
56.86042	1.4
57.03378	6.0
57.06998	10.7
67.05427	54.0
69.06986	24.8
71.08539	3.5
75.15240	1.5
79.05409	48.0
81.06508	2.6
81.06976	62.2
83.04899	18.3
83.06028	2.0
83.08546	18.4
84.04434	13.2
85.02818	2.6
85.06449	3.2
91.05402	22.5
92.10899	2.9
93.06966	58.7
95.04897	2.4
95.07967	2.2
95.08540	59.5
97.06470	30.2
97.10092	9.4
98.98398	11.9
99.08067	1.6
105.06980	18.6
107.08530	37.0
109.06476	7.1
109.10107	23.4
111.04387	31.0
111.08031	10.6
117.06932	3.6
119.08515	16.5
121.06417	1.7
121.10097	57.9
123.08026	6.7
123.11662	7.0
125.05971	2.7
125.09612	1.9
129.05380	2.1
130.04958	9.8
131.08546	10.9
133.10121	14.7
135.07997	2.7
135.11647	39.5
137.13202	1.9
139.07550	1.8
139.11163	1.9
143.48549	1.5
145.10095	6.8
147.11635	6.9
149.09586	2.0
149.13182	11.6
155.00960	8.8
157.10136	1.8
158.88797	1.9
159.11673	2.2
161.13231	3.2
163.11214	1.7
163.14716	1.9
175.14771	2.5
236.94945	1.5
311.27197	1.9
329.28439	3.1
339.26608	6.2
347.29404	12.3
357.27768	33.8
375.28824	100.0
376.29108	4.0
393.29773	11.0
438.28256	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00252	1.4
53.03887	7.4
55.01806	3.7
55.05457	26.6
56.99221	1.3
57.03373	7.8
57.07017	25.1
58.00349	1.3
59.98102	1.4
63.01196	1.3
63.12982	1.2
64.34829	1.4
65.03845	1.7
67.05074	3.4
67.05431	87.1
68.79517	1.5
69.06995	32.9
71.04916	1.7
71.08561	11.1
79.05413	66.4
81.03338	2.5
81.06979	100.0
83.04905	11.5
83.08546	16.5
85.10097	8.6
91.05409	32.6
93.06977	74.2
95.04916	12.5
95.08534	95.8
96.08892	1.5
97.06463	18.6
97.10104	9.2
98.98407	30.7
105.06988	19.9
107.04902	55.0
107.08536	43.0
109.06473	2.1
109.10109	37.3
111.04399	9.4
111.08021	1.7
117.06966	3.5
119.08540	16.8
121.06456	3.0
121.10093	52.3
123.11668	9.8
125.09680	1.8
131.08551	10.4
133.06456	15.1
133.10110	10.7
135.11667	32.0
137.09605	2.6
137.13251	2.4
139.11273	1.8
145.06483	1.6
145.10112	7.8
147.08020	15.7
147.11684	7.2
149.09651	1.9
149.13280	9.0
152.49968	1.8
155.01019	20.3
159.11673	7.3
161.13252	3.4
163.14793	5.6
171.11739	2.0
173.13274	2.6
175.14726	2.5
189.16386	2.1
191.14316	1.7
195.13719	1.7
239.23575	2.6
313.27353	10.0
329.28442	5.4
339.26736	3.1
347.29367	22.8
348.29169	2.8
357.27771	45.1
358.28067	2.5
375.28928	37.4
378.55942	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05462	5.6
57.06996	3.6
62.52049	3.9
67.05426	6.2
67.36938	3.1
69.06985	30.8
72.08051	3.9
79.16901	3.8
81.06984	8.2
93.06946	3.6
105.06987	6.5
109.10087	6.3
117.65209	4.4
144.36504	4.1
145.10115	5.8
147.08102	7.3
149.09587	4.0
173.09576	100.0
175.11127	15.9
191.10648	42.3
274.10263	5.3
393.31454	7.0
411.32376	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05448	3.3
57.07006	9.6
65.08303	1.4
67.05421	7.8
67.21027	1.6
69.06974	10.1
71.08511	3.1
81.06973	13.0
83.08540	3.1
91.05394	7.0
93.06968	7.8
95.04890	2.9
95.08517	10.9
97.10094	4.0
109.10089	7.9
114.46019	2.2
121.06452	100.0
123.11665	3.8
131.44971	1.6
133.06439	2.1
135.08025	3.9
141.58975	2.0
147.08025	10.0
149.13524	1.6
153.05489	2.7
158.96597	2.0
161.09651	7.1
306.74789	1.8
411.35938	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	412.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30018	0.2
54.82747	0.2
55.05437	1.6
56.04725	0.3
56.04972	6.5
60.04445	0.4
61.01075	3.8
66.92686	0.2
69.03337	0.5
70.02858	2.0
70.06501	4.4
72.08069	3.9
77.03815	0.2
79.03280	0.2
81.06947	0.3
83.08497	0.3
84.04418	1.1
84.08066	3.2
85.02801	0.4
86.09620	3.4
87.02570	0.5
88.03912	9.6
91.05402	11.9
92.10278	0.5
93.06976	0.6
97.02811	0.3
98.02334	4.1
100.11178	1.3
102.05482	1.0
103.05390	4.4
104.05260	8.0
105.72736	0.2
110.07112	1.1
112.08711	0.4
115.08657	0.3
115.74095	0.3
118.06453	0.3
119.07301	2.7
120.08049	100.0
121.08412	2.1
129.06956	0.3
129.10170	1.2
130.06485	33.6
131.04875	1.3
131.06819	0.4
132.08099	0.3
133.03146	6.4
137.05925	0.6
144.08055	8.9
146.06001	0.4
147.09163	1.4
148.07538	0.4
150.05801	8.4
158.06042	0.3
172.07521	8.1
175.08621	17.6
176.07053	1.7
184.07338	1.2
189.10226	0.3
190.08582	8.9
190.10251	0.4
200.07027	1.5
201.56384	0.3
217.09659	4.1
218.08127	2.5
235.10712	39.5
236.11078	1.6
245.09145	0.4
263.10208	7.2
297.12619	0.9
320.49341	0.3
327.21500	0.3
411.33530	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	4.1
55.01805	4.9
55.05444	10.3
56.04955	5.4
56.96506	2.6
57.03367	2.9
60.04444	5.1
65.03843	4.2
65.25701	2.3
65.93181	2.1
66.41263	2.1
67.05414	4.8
69.03337	16.3
69.06973	4.1
70.02868	3.3
70.06181	3.5
70.06510	49.1
71.04897	3.2
72.08071	35.9
74.05984	5.3
79.05407	9.8
83.08533	5.0
84.04422	27.7
84.08069	49.7
85.02831	21.2
85.14101	2.3
86.09631	19.8
87.04369	4.8
88.03915	4.2
89.16303	2.3
91.05411	41.1
92.10201	3.5
93.06993	3.6
94.04089	3.4
95.04882	13.2
95.08533	3.2
97.02814	13.7
97.06445	10.4
98.97544	2.5
102.04597	4.2
102.05472	5.5
103.05415	4.4
105.03351	3.2
105.06968	26.9
107.08526	3.1
109.06429	5.8
110.07137	24.8
110.58255	2.8
111.04398	3.8
115.03849	3.0
118.08601	3.8
119.04893	45.1
120.08049	5.7
121.06417	5.9
122.03603	5.3
123.04359	3.7
125.05940	5.5
129.10207	24.6
130.04118	16.5
131.04927	10.5
133.04924	2.7
133.06461	22.5
135.04378	16.5
135.90689	2.5
136.06163	68.2
136.07466	5.5
137.05956	100.0
146.03558	2.6
147.04387	61.5
149.02316	4.3
149.05943	12.0
150.06712	16.7
151.03841	10.8
153.05417	2.4
153.06960	5.9
160.09361	3.0
161.05954	33.4
162.04106	34.0
162.06740	41.5
165.05583	4.3
165.06975	19.2
171.04364	3.5
177.00557	4.4
177.05408	14.3
179.07024	11.2
179.10506	3.6
181.04961	4.5
181.06367	21.0
182.07222	6.2
193.06461	17.2
194.07201	11.1
195.07997	11.2
197.05937	2.9
197.09534	3.0
203.28384	3.1
208.05136	5.7
209.05873	5.3
210.06688	18.5
211.07472	3.5
212.08269	4.2
213.09004	11.4
220.05167	5.4
221.05939	28.5
222.06708	6.2
222.91420	2.5
223.07465	13.2
224.08174	4.7
225.09097	19.8
227.06862	3.3
235.07478	11.9
236.04745	3.9
237.05383	14.7
238.06194	6.4
239.06897	6.0
240.07840	4.4
241.08575	23.5
249.05432	16.3
250.06134	10.8
251.07007	19.7
252.07761	4.9
253.08568	27.5
255.06438	3.7
255.10063	21.6
263.06955	12.3
265.04681	3.8
266.05722	3.5
267.06485	4.5
268.07202	10.6
269.07983	45.5
270.08618	3.8
277.04901	4.7
279.06387	16.0
280.07129	10.2
281.07468	30.0
283.09576	17.6
287.08960	4.0
291.06387	3.7
295.09521	5.3
297.07379	4.9
309.07465	33.7
311.09201	5.5
313.10626	6.3
327.08572	32.7
329.10159	22.0
341.10144	74.3
342.10733	4.6
345.42078	2.7
359.07040	4.5
359.11224	93.3
413.13916	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	412.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64372	0.6
53.00252	0.8
53.03887	0.6
55.01803	1.3
55.05460	6.7
56.04969	7.1
57.03100	1.1
57.03374	32.7
59.04938	7.1
60.04450	3.2
61.01068	1.8
61.02849	4.2
63.18886	0.6
67.05422	1.1
69.03351	88.4
69.06993	0.9
70.06503	6.9
71.04907	3.1
72.08068	2.7
73.02824	3.5
75.04002	0.6
75.04387	7.1
75.76515	0.6
78.51968	0.6
79.05381	0.8
81.03326	4.8
81.06976	1.6
82.82702	0.6
83.08546	7.4
84.04412	1.6
84.08074	6.6
85.02829	100.0
86.09629	5.3
87.04395	53.2
91.03860	3.3
91.05416	1.4
93.06949	1.3
95.04920	0.8
95.08528	1.0
97.02826	63.5
98.97511	2.9
99.04369	4.0
103.05322	0.9
104.05252	1.6
105.06977	1.3
107.08541	0.8
109.02811	4.6
110.07127	1.6
111.08041	0.8
115.03885	52.5
116.98571	1.2
120.08094	5.9
121.06449	1.1
121.10210	0.8
123.08025	1.1
127.03874	10.0
129.10193	1.7
131.08443	0.7
133.04933	49.2
133.10080	1.0
134.99617	1.1
135.07977	1.6
139.07549	0.8
145.04942	13.2
149.05803	0.7
149.09607	1.4
150.07593	6.3
153.06577	0.8
156.29945	0.7
163.05960	5.2
167.10657	2.6
169.04967	1.1
171.07623	4.4
173.13170	0.7
177.00635	0.9
179.10635	1.0
183.58803	0.9
197.11699	1.1
203.05365	0.7
209.11737	0.9
215.14253	2.6
219.07877	2.6
233.15356	2.9
251.16357	3.2
259.08145	2.6
263.14566	0.8
277.08994	0.9
295.10046	1.1
411.20169	0.8
412.19611	4.4
413.21301	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	412.2228
Annotation	Val Phe Phe
Peak:m/z	Relative Intensity
55.05452	4.2
56.26415	0.5
56.96487	0.8
57.03364	0.8
67.18747	0.6
69.06992	1.0
70.06505	2.9
72.02618	0.6
72.08067	40.7
73.50876	0.5
79.05376	0.7
81.06973	0.7
81.93050	0.6
84.08047	1.1
85.02814	1.5
86.09612	3.3
91.05416	1.3
93.06960	1.4
98.97504	0.8
103.05405	3.6
103.35990	0.7
106.55066	0.6
116.98567	0.8
120.08053	100.0
121.08396	2.7
129.10133	0.7
137.05995	0.6
166.08571	2.3
169.40163	0.6
217.30545	0.5
219.14853	18.5
220.93936	0.6
229.31139	0.7
247.14407	7.2
253.08195	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03872	0.4
55.01800	0.3
55.05453	2.4
57.06995	0.5
67.05425	2.4
69.06982	2.4
71.04908	0.3
71.08543	3.5
79.05404	4.5
81.06969	4.1
83.08534	0.9
85.99826	0.2
88.34505	0.2
90.90350	0.3
91.05406	1.1
93.06966	3.0
95.04885	1.6
95.08530	2.8
97.06453	1.2
99.08015	1.1
103.05405	1.9
105.06971	100.0
106.07297	1.3
107.08510	1.7
108.64443	0.2
109.06468	3.7
109.10109	1.4
119.08527	1.6
121.10107	0.9
122.09613	24.9
123.09920	0.2
133.10071	0.9
147.11615	0.3
148.07533	0.3
149.13261	0.4
162.69818	0.2
165.12708	5.0
175.14766	0.4
235.16956	0.6
273.22110	0.2
274.94730	0.2
291.23093	4.1
314.24658	2.8
394.30908	0.3
401.39682	0.2
412.31995	16.8
413.32330	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.086
Annotation	Arteminorin B
Peak:m/z	Relative Intensity
54.81736	1.4
55.05423	2.0
55.61551	1.3
56.96503	2.2
66.23268	1.4
67.05402	1.5
67.28771	1.2
71.07218	1.4
77.18135	1.6
78.53687	1.6
85.02805	1.7
91.05426	2.1
97.02834	1.7
98.97512	8.7
105.06964	2.6
107.08553	2.2
116.98554	9.0
119.08573	2.7
134.99591	6.4
158.99667	2.4
169.83090	1.5
176.86594	1.7
177.00624	2.9
181.06396	3.2
188.10542	1.5
189.00656	2.2
198.18433	1.7
205.04988	3.3
209.05952	2.0
219.01765	2.2
225.05269	2.0
226.06215	7.4
236.04610	3.7
237.02843	3.8
237.05447	2.3
253.04947	3.1
254.05635	18.5
255.06223	2.6
264.04376	5.5
265.04898	3.8
268.07300	3.6
269.07907	12.5
271.05972	5.7
281.04300	2.6
282.05096	9.7
283.06073	2.5
285.07431	3.8
292.03610	6.2
297.07504	23.7
299.05493	7.0
309.03888	1.9
310.04721	9.5
311.05640	3.0
313.06750	2.0
314.07800	9.7
324.06418	2.2
325.06888	14.8
329.10147	8.0
342.06882	1.9
352.05835	1.9
353.06506	27.1
355.04385	2.2
357.09579	42.2
369.18039	1.7
370.06714	7.5
385.09332	2.1
413.08569	100.0
413.21164	10.3
413.26398	2.2
414.08633	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	413.0862
Annotation	Arteminorin B
Peak:m/z	Relative Intensity
54.81912	4.7
60.00886	2.8
67.05408	4.9
88.16771	3.5
98.97504	4.7
111.03643	3.4
116.98552	6.3
123.07215	4.0
123.08076	4.1
133.02776	4.9
151.03874	8.7
151.07567	5.8
164.00995	8.8
173.00485	3.6
177.05408	5.1
178.06209	4.3
179.03369	100.0
192.04100	5.4
194.05594	5.1
207.06541	43.1
245.79712	3.9
278.05673	15.5
293.07910	6.4
321.07495	19.9
340.18051	4.3
353.10156	5.3
354.75589	4.3
412.89163	4.2
413.08359	18.4
413.26309	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	413.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05464	0.2
56.04980	1.0
57.03372	0.4
62.92422	0.2
63.20779	0.1
69.03347	0.4
70.06499	2.7
71.06853	0.2
72.08067	0.9
74.05988	2.6
82.68353	0.2
84.04424	0.3
84.08076	0.9
85.02819	0.3
86.09628	0.9
92.02475	0.2
92.10271	0.2
94.03992	0.2
97.02793	0.2
102.05473	1.1
110.07109	1.0
116.07054	0.3
119.03494	2.6
120.06538	4.4
122.94813	0.2
129.10181	0.4
136.06158	100.0
137.04578	2.3
137.06505	1.1
162.04073	54.6
163.04381	1.0
211.12013	0.2
268.10361	0.3
281.09869	23.9
282.10187	0.4
369.82053	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01543	0.2
51.02311	0.3
54.81774	0.1
67.67559	0.2
71.06908	0.2
72.74332	0.2
79.05394	0.4
91.05415	0.4
93.06967	1.2
95.04890	0.4
98.08273	0.2
102.88766	0.2
103.05394	7.6
107.04881	1.8
118.76145	0.2
120.08053	100.0
121.07661	0.3
121.08399	3.5
121.21013	0.2
130.75072	0.2
131.04889	2.2
149.05986	0.8
166.08598	19.5
196.01006	0.2
213.70485	0.2
240.78406	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01818	0.8
57.08147	0.7
58.06538	5.9
59.04935	8.1
61.02844	3.3
69.03358	7.1
70.06500	3.6
73.02835	0.7
73.96246	0.7
81.03326	3.3
84.08063	1.9
85.02828	11.5
85.07574	0.9
86.09611	0.9
87.04395	1.4
91.05405	3.7
93.06987	0.8
97.02814	5.1
97.33071	0.8
103.05380	6.7
107.04903	1.8
116.70899	0.8
120.08051	100.0
121.08393	1.6
127.03830	0.9
130.06487	16.7
131.04886	7.9
132.79803	0.8
136.06198	0.9
147.09155	3.8
148.07553	4.1
149.05984	3.5
160.11200	5.5
166.08598	10.8
176.07040	3.6
205.13406	6.4
206.11757	4.3
233.12851	3.3
239.03787	0.9
251.13837	89.5
252.14188	1.3
347.27710	0.9
398.91162	0.8
413.19031	42.2
414.19089	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	413.2141
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
55.39901	1.3
60.31516	1.3
68.71873	1.3
69.03319	2.0
70.06463	1.8
81.26744	1.3
85.02830	2.1
93.06981	1.9
97.02815	3.2
98.97498	2.8
118.96757	2.0
119.01865	3.5
134.99655	1.9
229.92613	1.8
251.14896	1.7
269.15924	9.5
272.08835	1.7
358.85312	1.7
369.22556	10.7
393.50330	1.5
413.21344	100.0
413.26019	3.7
414.21573	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	413.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03861	0.9
53.46251	1.0
55.05451	8.3
56.04986	3.7
56.96499	1.8
57.03368	1.9
58.47421	1.0
60.04457	2.2
64.03616	0.9
65.66715	1.0
67.05408	1.1
69.03365	5.4
69.07005	4.1
70.06513	47.4
71.04929	1.5
71.20143	0.9
72.08071	16.5
74.05968	2.1
79.05398	1.0
80.26714	1.0
81.06983	1.7
83.06023	1.2
83.08549	8.8
84.04443	11.1
84.08060	23.7
84.50684	1.0
85.02830	7.8
85.30721	0.9
86.09633	27.1
88.03943	1.9
88.65649	1.0
91.05420	2.0
93.07007	1.4
95.06029	1.9
95.08548	1.7
97.02821	5.4
98.97538	2.1
101.07127	4.0
102.05489	1.5
104.71376	1.1
105.06971	2.1
107.04919	1.0
107.08547	4.5
109.02823	1.1
109.10123	2.3
110.07122	15.5
112.08674	1.9
113.05995	1.1
114.09151	2.5
115.03882	1.4
115.08657	1.1
116.07080	2.0
116.98590	1.7
117.06984	1.9
117.80386	1.0
119.08572	4.1
120.08071	7.5
121.06425	1.1
121.10094	1.4
127.03915	1.4
129.10184	10.6
130.05040	1.7
130.06546	1.3
130.59218	1.0
131.08583	6.2
133.10118	1.6
134.99658	2.4
135.08076	1.3
136.07587	1.8
137.06000	5.3
138.06413	1.4
145.06470	4.1
145.10141	6.3
148.05081	5.9
157.10086	1.5
159.08006	8.4
159.11671	3.9
161.09673	5.4
162.06657	1.5
164.04524	3.4
165.05360	1.5
173.09659	1.9
173.13184	1.0
175.11086	3.4
177.12794	1.9
178.06149	1.6
180.04016	2.5
187.11180	2.2
189.12857	1.6
190.06201	2.6
194.05592	1.6
203.05328	1.4
215.14302	9.4
218.05655	4.5
222.05164	1.2
230.22929	1.1
233.15341	13.3
246.04977	1.3
251.16440	13.4
273.65359	1.0
282.07187	2.0
342.20496	1.2
395.15610	1.4
412.20306	1.2
413.17090	13.6
413.21564	100.0
414.17053	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.215
Annotation	Tinocordifolioside
Peak:m/z	Relative Intensity
53.03904	1.1
54.08517	1.0
55.01816	1.3
55.05447	8.7
56.04974	5.4
57.03366	2.6
60.04453	2.6
67.05441	1.4
69.03361	6.2
69.07001	5.2
70.02923	1.2
70.06501	52.1
71.04906	1.4
72.08070	17.8
74.06006	1.4
76.62508	1.0
79.05437	1.6
81.06981	1.5
83.06033	2.0
83.08560	6.6
84.04414	17.0
84.08057	28.3
85.02823	11.0
85.06480	1.7
86.07637	1.1
86.09620	30.4
87.09985	1.8
88.03934	4.9
89.39185	1.0
91.05417	2.4
92.10793	1.8
93.04461	1.3
93.06960	1.5
95.08550	2.2
97.02836	4.9
98.97544	1.1
101.07089	1.9
102.05490	2.7
105.06985	2.8
107.04930	2.2
107.08555	2.3
107.30284	1.1
107.83923	1.1
109.06501	1.4
109.10114	1.7
110.07121	14.2
111.07404	1.3
112.08695	1.4
113.05951	1.6
115.08696	2.1
115.10567	1.1
116.07056	2.4
116.98563	4.7
117.06999	1.1
117.71011	1.2
119.08540	2.3
120.08075	8.6
121.06551	1.4
121.91210	1.2
127.08641	1.3
129.10196	10.3
131.08575	6.3
133.10153	1.6
134.99626	2.1
136.07558	1.4
137.05991	7.8
141.66719	1.1
145.06432	1.8
145.10110	2.2
148.05093	2.3
149.09558	1.6
159.08070	7.4
161.09666	1.8
162.06584	1.8
170.06062	2.0
173.13223	2.2
175.11198	6.2
183.14944	1.9
187.11151	2.4
187.14783	1.5
190.06107	5.2
191.14235	2.1
194.05684	2.6
203.05315	2.6
215.14290	9.3
218.05864	1.5
222.05069	1.3
233.15329	16.0
236.06682	1.7
251.16310	15.3
262.03796	1.6
264.06100	1.5
278.82245	1.2
282.07220	2.6
413.17328	11.7
413.21576	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2166
Annotation	Pterodontoside B
Peak:m/z	Relative Intensity
51.08180	3.8
53.03884	7.5
55.01838	3.9
55.05451	4.9
56.04972	5.4
56.05904	2.8
56.96489	5.4
57.03362	7.4
57.06993	4.7
61.02861	7.9
63.31176	3.2
63.86005	3.2
64.00861	4.0
67.05421	17.7
69.03337	54.6
69.06981	8.8
70.06504	100.0
71.04924	3.8
72.08065	23.6
76.56339	3.6
79.05402	29.0
81.03349	9.2
81.06972	57.4
83.04907	7.1
84.04420	9.0
84.08061	50.0
85.02821	62.3
85.06444	7.9
86.09611	65.7
86.10034	4.3
87.04422	6.4
91.03880	4.7
91.05380	41.0
93.06970	28.9
95.04931	6.4
95.08530	19.4
97.02825	32.3
97.06440	8.3
98.97485	4.4
102.05490	4.3
103.05390	4.4
105.06963	49.7
107.04913	8.9
107.08530	69.2
109.02808	5.1
109.06481	14.1
109.10115	6.3
110.07148	27.3
111.08009	32.3
113.06004	3.8
114.63157	3.5
116.98563	5.2
117.06967	8.5
119.08526	34.9
120.08026	16.1
121.06459	7.8
121.10119	18.2
123.07989	6.1
125.09586	14.5
127.03876	7.2
127.07500	6.6
129.10208	23.9
131.04871	4.7
131.08540	30.7
133.10114	23.6
135.08000	6.3
135.11620	5.0
136.07524	4.0
137.09584	4.6
145.02754	4.6
145.10080	40.2
147.08076	3.8
147.11629	14.2
148.05167	4.0
148.52341	4.1
149.09540	7.0
151.07559	15.7
153.09105	36.6
154.14445	3.7
157.10054	6.3
159.07996	9.3
159.11673	7.4
161.05942	4.1
161.13223	5.4
163.11089	5.1
173.09616	8.5
173.13213	19.3
175.11133	15.6
187.11163	5.0
187.14781	19.7
191.14291	6.5
205.15891	7.7
215.14278	27.6
233.11693	6.6
233.15305	77.1
251.16379	73.0
269.59601	3.8
298.13470	3.4
380.47543	3.8
412.20175	4.9
413.12439	3.8
413.21066	55.8
413.25330	8.9
438.08313	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	413.2164
Annotation	Pterodontoside B
Peak:m/z	Relative Intensity
53.03888	2.4
55.01829	5.5
55.05443	35.9
56.04975	2.2
56.05773	2.5
56.96497	4.2
57.03361	2.4
57.07003	18.6
59.04935	3.8
65.03857	1.9
67.05425	17.4
69.03343	45.2
69.06976	4.8
70.06503	27.5
71.04915	3.2
72.08061	8.6
79.05396	21.3
81.06969	69.4
82.06484	13.2
82.07301	2.4
83.04897	11.5
83.08530	16.4
84.04424	3.9
84.08068	19.7
85.02831	21.6
85.06477	21.1
86.09629	28.2
88.03859	2.8
91.05405	42.5
91.58025	2.5
91.74101	2.1
93.06969	42.7
94.15379	2.3
95.04877	4.9
95.08541	20.0
97.02841	18.9
97.06446	8.0
100.07542	24.6
100.11180	69.6
101.11543	4.0
103.05409	2.1
104.20354	1.9
105.06971	46.0
105.38270	2.1
107.04858	3.5
107.08528	100.0
109.06470	17.9
109.10108	8.2
110.05981	2.9
110.07095	4.5
111.04373	18.5
111.08028	49.3
112.07550	2.8
113.05941	12.5
115.05359	2.1
117.06940	8.5
119.06087	2.5
119.08519	33.2
120.08039	12.7
120.08806	2.0
121.06464	18.0
121.10073	44.0
123.08007	3.1
125.09595	16.8
127.03844	2.5
127.07499	12.4
128.07040	12.7
129.06982	3.7
129.10179	4.2
130.07744	3.5
131.08521	38.1
133.06396	2.7
133.10088	14.2
135.08003	9.9
137.09572	13.4
137.13219	3.8
139.07504	4.6
139.08647	2.1
140.06989	2.7
141.11482	3.8
142.07722	3.9
143.08507	3.3
145.10074	40.7
147.08015	21.1
147.11641	4.2
149.09554	30.1
149.45152	2.4
151.07451	2.3
153.09070	46.1
156.09254	2.9
157.10126	8.5
158.10971	2.7
159.08031	10.3
159.11676	4.5
161.09554	4.0
161.13240	4.4
173.09590	9.7
173.13161	10.0
175.11122	35.9
177.09087	4.8
179.03894	2.3
182.15347	34.1
183.15671	9.6
187.14763	14.6
191.05740	3.9
191.10631	8.2
191.14310	2.6
199.17982	4.2
204.66296	2.5
205.15953	4.1
209.16479	11.9
210.14844	25.5
211.15166	4.8
215.14232	17.0
227.17599	2.6
233.15326	70.5
233.17563	4.3
240.58472	2.0
251.16377	25.3
252.08562	7.6
253.07307	2.5
273.06219	2.5
331.74384	3.3
344.18158	3.1
413.21246	22.8
413.25659	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	413.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01819	1.4
65.41897	0.8
67.05434	1.4
69.06982	5.5
69.80769	0.8
81.06969	16.7
92.10278	1.3
93.06990	3.8
95.08552	6.6
99.04390	5.6
107.08535	1.6
109.10094	1.9
111.04412	3.3
119.53083	1.1
121.10113	1.9
125.05933	13.4
141.05476	1.8
143.82690	1.0
147.75848	0.8
153.05441	100.0
167.06952	1.2
209.11743	1.3
216.50909	0.9
221.11613	2.0
227.50940	1.0
231.42744	0.9
300.23560	1.0
327.24240	0.9
360.73694	1.0
413.32306	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	413.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03767	4.4
55.05437	11.5
60.23618	4.1
67.05424	28.3
69.06984	38.9
79.05396	11.3
79.12019	4.6
81.06986	72.2
83.08548	7.1
91.05429	7.1
93.06962	49.8
94.98719	5.8
95.08543	100.0
97.10072	8.1
98.51456	5.5
105.06979	23.5
107.08547	50.1
109.10094	56.9
114.37136	5.8
119.08550	23.3
120.13810	5.1
121.06453	8.0
121.10094	47.8
123.11652	24.0
133.10101	9.6
135.11642	30.9
147.11678	6.5
149.13197	10.7
153.05490	8.0
161.13289	8.5
164.46626	5.3
177.16365	8.2
194.12996	6.7
205.46370	5.9
249.25398	5.4
258.54895	5.2
294.03397	6.7
350.80154	6.7
360.04904	7.3
413.32208	67.4
413.37723	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21307	0.3
52.66645	0.3
53.03883	0.4
55.01817	0.4
55.05433	1.6
56.04963	1.6
56.96505	0.6
57.03366	2.4
59.64286	0.3
61.02857	0.4
64.93039	0.3
69.03344	7.8
69.05497	0.3
69.06976	0.3
70.06509	13.0
71.04932	0.4
71.06857	0.9
72.08070	4.9
72.18233	0.3
72.25858	0.4
73.02859	0.4
75.04382	0.5
79.05377	0.5
81.03320	0.7
83.05992	0.4
84.04425	3.9
84.08066	6.6
85.02821	10.6
86.09625	9.5
87.04395	3.0
87.09928	0.5
88.03865	0.6
90.78349	0.4
91.05395	2.5
93.06994	0.7
97.02824	7.5
102.05470	1.0
103.05388	0.6
105.06964	0.8
107.04901	0.6
109.02763	0.9
110.07104	6.7
115.03886	3.6
115.05386	2.0
117.06973	0.6
119.04903	0.7
119.08517	0.6
120.08071	2.7
121.06436	0.4
121.10029	0.4
127.03859	1.8
128.06195	6.3
129.06924	2.1
129.10205	3.9
129.14998	0.4
131.04848	0.8
131.08517	0.6
133.04916	3.5
133.10115	0.5
136.07574	3.4
137.05952	0.9
141.06944	2.5
145.04900	1.8
145.06538	0.8
145.10083	0.8
146.07185	0.8
156.05710	5.1
156.82930	0.4
161.05980	0.4
161.09633	0.6
168.05746	0.5
171.08017	2.2
172.08842	0.4
173.05901	0.5
174.06740	2.7
175.07507	1.6
177.20116	0.4
184.05151	23.3
189.09059	1.8
199.07510	100.0
200.07860	3.6
217.08546	20.6
218.08928	0.7
223.05927	0.6
233.15305	0.7
234.15747	0.7
235.16843	0.5
251.16200	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00249	0.2
53.03881	0.2
55.01800	0.8
55.05443	1.1
57.03370	1.5
57.07003	0.3
60.05561	0.2
63.78312	0.2
67.05435	0.8
69.03352	3.7
71.04895	1.4
71.08538	0.2
79.05406	1.3
83.04903	2.0
85.02827	3.1
86.09591	0.2
87.04400	2.6
91.05400	7.1
93.06953	0.3
95.04889	1.5
97.02814	1.3
98.98402	0.3
99.04398	0.3
101.02283	0.3
101.05946	1.2
103.05373	0.5
104.10696	0.2
105.06974	3.0
105.99173	0.2
107.08534	29.2
108.08867	0.4
109.06479	1.9
111.04382	1.0
115.34773	0.2
117.06976	1.7
119.08533	100.0
120.08859	2.2
123.08019	0.2
129.05418	3.4
131.08492	0.3
133.06467	4.4
133.10083	1.2
135.08020	19.2
136.08369	0.4
145.10074	0.3
157.10089	0.4
159.11668	1.3
175.11096	0.2
183.86667	0.2
199.11166	0.9
207.10101	0.3
217.12242	0.8
263.12723	1.9
320.98270	0.2
397.20300	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40463	0.2
53.03894	0.4
54.47285	0.4
55.05448	4.0
57.03360	2.2
57.07001	0.5
64.72054	0.3
65.03857	0.4
67.05442	0.5
69.03345	5.7
71.08501	0.4
72.10890	0.4
74.26054	0.3
79.05405	1.4
81.03326	1.4
81.06947	0.4
83.04436	0.5
83.04897	7.8
85.02823	5.3
91.05398	6.0
95.08525	0.6
97.02802	2.1
105.06986	2.8
107.08530	20.5
109.02789	0.6
109.06477	1.8
111.04388	7.2
112.35886	0.3
114.37244	0.3
117.06980	0.9
119.08529	100.0
120.08852	2.3
123.11729	0.3
124.14520	0.4
129.05415	0.6
133.06450	1.7
135.08014	11.9
143.46739	0.4
145.10121	0.6
145.57188	0.4
177.08954	1.4
181.10127	0.8
199.11093	0.6
217.12306	0.5
261.11111	0.8
263.12726	6.1
397.20056	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00245	1.2
53.03870	1.1
55.01810	1.7
55.05448	1.5
56.04965	1.9
56.96475	0.9
57.03135	1.1
57.03374	19.1
57.65722	0.8
59.04932	2.0
60.04440	1.5
61.02835	6.0
62.08068	0.8
62.80370	0.7
65.20221	0.7
69.03348	68.6
69.06985	1.8
70.04479	0.8
70.06508	23.3
71.04909	1.3
72.08070	9.9
73.02806	4.0
74.05962	0.9
75.04379	5.5
81.03345	6.2
81.06958	2.1
83.04886	1.3
84.04438	7.5
84.08072	13.9
85.02827	85.1
86.09621	21.4
87.04390	36.5
87.09947	0.9
88.03887	1.3
91.03877	1.8
91.05401	4.2
93.06941	1.2
95.08517	1.3
97.02821	54.6
98.05901	1.1
99.04404	6.5
102.05429	1.4
105.06944	1.4
107.04916	1.1
107.08519	1.6
109.02850	6.4
109.06432	1.4
110.07104	9.0
115.03884	35.8
115.05371	1.5
115.08662	0.8
116.98596	1.7
117.17177	1.0
119.04866	1.1
119.08540	1.1
120.08061	5.9
121.06454	1.1
127.03875	13.8
128.06213	7.3
129.10187	5.7
130.06451	0.9
133.04933	36.0
136.07545	5.2
137.05928	2.0
141.06912	1.9
141.10175	0.9
145.04936	17.4
145.10149	0.8
147.11505	1.2
150.07620	2.1
156.05641	5.5
159.07869	1.1
161.09546	1.1
163.06042	6.4
163.07324	0.8
169.04922	1.0
171.07927	1.2
174.06677	1.2
175.07458	1.6
177.12675	2.2
184.05148	23.9
189.08885	1.2
193.09956	1.0
199.07506	100.0
200.07849	4.9
217.08574	18.4
217.15755	1.6
218.08954	1.0
240.12938	0.9
241.07104	0.9
241.35521	1.1
251.16309	1.3
252.16786	1.1
253.14133	1.6
253.17949	1.6
259.08264	1.3
265.16388	3.4
274.65857	1.1
277.09109	1.4
330.68176	0.9
391.65271	0.9
395.48187	0.9
414.25894	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91888	1.5
56.26062	1.5
57.03381	1.5
69.03335	7.7
70.06519	16.5
72.08070	3.5
74.02334	1.5
81.03329	3.4
84.04427	1.7
84.08058	10.4
85.02822	8.3
86.09606	8.9
87.04377	2.0
87.72453	1.9
88.28639	1.7
97.02811	4.1
98.97531	3.5
110.07072	2.7
116.07058	2.8
118.69636	1.5
121.95491	1.9
127.03871	1.9
136.06175	2.0
137.05960	2.7
177.00694	2.5
178.03568	2.1
243.26912	1.7
415.11993	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52725	1.4
54.81401	1.6
55.05442	8.0
56.04969	9.7
56.96500	2.0
60.04462	12.6
61.01084	2.4
68.05487	1.4
69.03349	2.2
69.06979	7.6
70.06507	87.4
70.06895	2.9
71.04914	2.0
71.06833	2.0
72.08072	34.2
74.05978	3.5
79.05408	2.9
79.86231	1.5
81.06972	1.9
83.06011	2.7
83.73045	1.5
84.04425	18.5
84.08067	49.0
85.02811	9.4
86.09626	51.8
87.05522	3.9
88.03926	2.9
91.05438	2.2
97.02820	3.2
98.97520	2.2
102.05494	7.7
103.05383	1.9
105.06940	4.0
106.06464	2.7
107.00620	1.5
107.04902	11.4
107.08519	1.8
110.07097	21.9
115.08637	2.1
116.07078	7.8
116.98555	6.4
119.08517	3.5
120.08069	8.9
129.10204	23.1
130.08611	2.1
131.04865	3.5
134.99651	6.6
136.07530	2.8
137.05968	3.9
138.25949	1.7
149.06038	2.7
157.10098	1.9
161.05928	1.9
170.06000	6.3
173.12825	3.8
183.14799	1.6
187.44154	1.7
208.09865	1.7
215.14099	2.6
234.15498	1.6
252.16730	2.1
262.03909	2.3
414.21811	2.7
415.13504	100.0
415.18231	4.3
415.26932	12.6
416.13995	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	415.211
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81495	0.2
55.05447	0.3
57.03358	0.4
61.93070	0.2
62.25042	0.2
64.72285	0.2
68.46627	0.3
69.03349	3.1
79.05405	1.5
81.03303	0.3
83.04914	0.5
85.02845	0.5
91.05398	9.8
93.06956	1.3
95.04891	0.4
98.98412	0.4
99.30005	0.3
103.05405	1.1
104.06180	0.5
105.06967	1.3
107.08530	9.1
109.06486	0.6
115.05355	0.3
117.06965	2.5
119.08532	100.0
120.08868	1.4
121.63944	0.3
129.05434	0.4
133.06465	2.3
135.07083	0.4
135.08023	5.1
155.01004	0.4
254.73080	0.3
272.42181	0.3
277.93222	0.3
314.37961	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	0.2
55.01805	0.2
55.05457	0.3
56.91460	0.2
57.03367	0.3
61.02845	0.3
62.90741	0.2
64.05309	0.2
66.16477	0.2
69.03351	2.7
70.46790	0.2
71.04873	0.2
76.49018	0.2
77.43482	0.2
79.05391	1.2
81.03307	0.4
81.08768	0.2
81.44910	0.2
83.04900	1.1
85.02835	0.8
87.62608	0.2
88.18819	0.2
91.05399	9.3
93.06958	0.4
94.44513	0.2
99.96902	0.2
103.05384	1.1
104.06168	1.2
105.06940	1.4
107.08537	9.5
107.09283	0.3
109.06483	0.9
111.04412	0.4
115.05392	0.2
117.06960	2.3
119.08532	100.0
120.08869	2.4
133.06468	1.4
135.08009	4.1
173.27277	0.2
232.30672	0.2
234.29503	0.2
261.43997	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19696	0.2
53.03893	0.2
54.81622	0.2
55.01802	0.2
55.05440	0.5
57.03378	0.3
62.10052	0.1
65.03868	0.2
67.20955	0.2
69.03345	2.3
71.04919	0.8
76.37183	0.2
79.05408	1.0
81.03345	0.5
83.04922	1.6
85.02815	1.0
87.43423	0.2
91.05408	9.7
93.06981	0.5
95.04881	0.3
98.97502	0.2
101.05935	0.2
103.05408	1.1
104.06171	1.1
105.06973	1.1
107.04891	2.0
107.08536	10.4
109.06486	0.8
111.04405	0.5
114.37343	0.3
116.98562	0.4
117.06964	2.8
119.08535	100.0
120.08873	1.8
125.64604	0.2
129.05400	0.4
133.06406	1.4
134.99686	0.3
135.08012	6.0
149.05939	0.9
160.04860	0.2
163.11156	1.0
177.73286	0.2
192.69940	0.2
219.17247	0.6
220.17743	0.3
267.12320	0.8
285.13367	0.4
351.38297	0.3
415.20694	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	0.1
54.44560	0.1
55.01816	0.1
55.05437	0.2
56.96507	0.1
57.03357	0.5
61.02858	0.2
65.03860	0.4
67.05418	0.1
69.03352	2.5
71.04913	0.1
72.84966	0.1
77.83469	0.1
79.05410	1.0
80.10712	0.1
80.52734	0.1
81.03316	0.5
83.04896	1.1
85.02830	1.0
87.04369	0.1
88.23864	0.1
91.05403	9.4
93.06977	0.8
95.04890	0.2
97.02827	0.2
99.04386	0.2
103.05390	1.2
104.06174	1.0
105.06976	1.3
107.08530	8.9
109.06481	0.8
111.04375	0.5
115.05431	0.2
116.38000	0.1
117.06963	2.6
119.08529	100.0
120.08846	1.7
129.05418	0.2
133.06435	1.7
135.08011	4.9
147.06453	0.2
157.10164	0.1
239.02303	0.2
244.61415	0.1
257.03360	0.2
275.09338	0.1
291.12549	0.5
293.10458	0.4
295.08493	0.2
307.15656	0.2
309.13571	0.4
313.09433	0.2
333.08932	0.1
369.15744	0.8
415.21164	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2318
Annotation	Dendromoniliside A
Peak:m/z	Relative Intensity
53.00217	0.5
53.03881	0.8
53.70298	0.4
54.95855	0.4
55.01797	1.2
55.05439	2.7
56.96488	0.5
57.03374	3.6
61.02852	5.0
67.05428	4.8
69.03002	0.7
69.03347	12.5
69.06974	1.1
70.06510	7.2
71.04904	0.8
72.08072	0.5
72.26717	0.4
73.02806	1.2
73.75163	0.4
74.94218	0.4
77.56686	0.4
77.73999	0.4
79.05396	2.3
80.77451	0.4
81.03333	4.3
81.06973	15.3
83.04891	2.9
84.08067	0.9
85.02824	25.2
85.06421	0.7
86.09608	2.4
87.04385	0.7
87.60405	0.5
91.03882	0.8
91.05394	2.1
93.06970	7.2
95.04909	0.9
95.08536	4.2
97.02822	6.9
97.06448	2.9
99.04374	1.1
105.06956	5.4
106.20016	0.4
107.08527	5.6
109.02831	2.5
109.06461	4.6
109.10079	2.6
111.08017	2.7
111.55978	0.4
117.06933	0.7
119.08540	5.3
120.08012	0.6
121.06434	4.4
121.10112	4.1
123.07998	5.9
127.03861	4.3
131.08519	2.6
133.10109	7.3
135.08015	6.2
135.11665	0.9
143.08563	0.9
145.04935	2.3
145.10077	1.9
147.08009	2.4
147.11716	2.1
149.09607	2.0
149.13220	1.1
157.10086	3.8
159.11641	6.6
161.09576	6.4
161.13219	0.7
163.11163	2.5
168.01900	0.5
173.13211	0.9
175.11145	6.3
175.14784	1.9
177.12701	100.0
178.13045	1.0
183.14874	0.8
187.14719	0.5
188.07030	0.6
189.16325	2.2
199.14798	1.0
204.15121	1.0
205.15799	3.3
217.15840	8.6
235.16879	67.5
236.17068	0.9
252.64243	0.5
253.17912	35.5
261.78879	0.5
296.97784	0.5
402.68045	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
63.71763	0.9
68.37708	0.9
90.98817	1.1
94.30545	1.2
119.08543	10.8
127.03920	1.6
131.38019	1.2
139.80974	1.0
197.61443	1.1
277.54584	1.0
283.34879	1.1
323.79089	1.2
415.30212	100.0
416.30496	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	416.1523
Annotation	Thiocolchicine
Peak:m/z	Relative Intensity
61.21859	0.7
62.13372	0.8
63.16682	0.8
66.74561	0.8
69.03332	1.2
70.06506	1.9
72.08054	1.4
74.33062	0.9
84.04453	0.8
85.02813	1.5
86.09628	1.3
92.10304	1.1
146.08943	0.8
317.08350	6.7
344.09424	1.3
389.14056	34.9
416.15173	100.0
417.15442	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	416.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06015	0.2
69.03320	0.2
70.06505	0.8
72.08063	0.3
74.09608	0.2
75.87653	0.1
79.05397	0.9
80.05695	0.1
84.08054	0.3
85.02812	0.2
86.09615	0.8
91.05363	0.3
91.05933	0.2
93.06981	1.4
94.07336	0.2
95.04907	0.2
97.02850	0.3
103.05399	5.4
104.05730	1.4
105.06081	0.2
107.04898	1.7
108.05214	0.3
110.07129	0.7
120.08053	100.0
121.08389	29.1
122.08732	6.2
123.09043	0.6
131.04872	2.2
132.05257	0.7
149.05960	1.3
150.06274	0.3
158.95938	0.2
166.08591	21.8
167.08932	6.4
168.09111	2.9
169.09453	1.0
195.22850	0.2
220.23662	0.2
243.65738	0.2
306.04221	0.2
330.39285	0.2
388.89465	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31585	2.1
55.05441	12.2
55.36294	1.7
56.96513	1.7
57.03382	2.8
57.07009	5.2
60.49280	1.7
65.03873	2.2
67.05414	20.8
69.03330	4.9
69.06982	10.2
70.06499	8.9
72.08051	2.0
73.90754	2.0
76.12424	1.8
79.05413	25.4
81.03337	3.6
81.06969	67.8
82.96752	2.2
83.04910	3.0
83.08601	2.2
85.02831	28.5
91.05408	25.6
93.06965	40.5
95.04884	10.7
95.08532	51.7
97.02811	10.4
97.10069	3.9
105.06966	47.2
107.04880	3.7
107.08530	19.7
109.06392	2.9
109.10107	11.1
111.04393	3.1
113.02358	2.0
113.05961	2.4
115.05388	2.7
117.06948	11.8
119.08531	54.1
119.29826	2.1
121.06454	2.9
121.10101	66.2
123.07996	4.1
123.11654	45.3
125.05949	9.3
129.06927	3.5
131.08560	29.8
133.06435	3.7
133.10097	29.0
135.08009	2.9
135.11607	8.6
137.05940	5.1
143.08549	4.7
145.06555	3.5
145.10124	28.3
147.11661	40.6
151.07491	2.2
158.10864	3.8
159.07973	3.8
161.09566	3.2
161.13217	98.0
163.07451	3.8
167.07004	4.4
168.09259	2.6
171.11714	9.0
173.13199	31.4
183.11731	2.4
185.13124	2.0
189.12741	19.4
191.14146	2.2
201.12686	16.0
203.40073	2.2
207.13768	100.0
207.15721	3.6
219.13788	20.3
237.14763	31.7
365.56009	2.5
417.73364	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	416.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	2.3
56.04968	2.5
56.96497	0.6
57.05742	0.5
58.06542	0.4
60.04449	2.0
60.92477	0.3
67.05447	0.6
68.04941	1.6
69.03347	0.9
69.06641	0.7
69.06988	8.7
70.06512	22.4
71.04906	0.4
72.08073	13.6
73.08407	0.4
74.05988	1.5
75.05526	3.1
81.03333	0.7
81.06985	0.3
83.06023	1.6
84.04429	7.9
84.07595	0.7
84.08073	15.9
85.02845	3.0
85.08408	0.4
86.06004	3.8
86.09629	100.0
87.05517	2.1
87.09966	1.0
88.03932	1.0
91.05421	1.0
93.07029	0.4
95.04919	0.5
95.06008	0.8
97.02819	1.6
98.05988	0.5
98.09624	0.4
98.97505	0.4
101.07040	0.4
102.05479	2.7
103.05399	0.7
105.06998	0.5
107.04900	0.5
109.02785	0.7
109.06470	0.4
110.05988	1.7
110.06375	0.5
110.07112	9.9
112.08678	0.8
114.05539	0.4
114.37436	0.4
115.05024	1.8
115.08614	0.5
116.07047	2.6
119.08559	0.8
120.08058	4.8
124.03860	0.5
127.03892	0.9
129.10210	9.0
130.04985	0.7
130.06476	1.9
130.08621	0.6
132.10207	0.8
133.06114	0.5
133.10056	0.5
136.07576	1.5
137.05948	0.5
139.03874	0.9
141.06587	0.9
141.10184	0.5
143.11775	17.4
155.09274	0.4
157.16728	0.4
159.09143	0.8
170.06029	0.7
171.11276	10.8
173.12939	0.6
187.07216	0.5
188.03908	0.4
189.12300	3.2
200.13986	2.1
201.12344	0.5
204.36942	0.4
211.18079	0.5
223.08694	0.9
228.13412	8.1
246.14449	2.5
253.55959	0.4
269.09058	0.5
303.16409	1.6
313.22263	8.4
333.10858	0.4
341.21765	2.8
361.82025	0.4
381.33237	0.4
416.24939	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	417.1176
Annotation	Aquillochin
Peak:m/z	Relative Intensity
52.90571	2.8
56.96497	3.8
57.03360	4.5
62.96299	3.4
63.18922	3.1
67.05401	4.8
70.06512	5.2
72.08071	3.4
78.84730	3.3
79.05412	15.9
81.06961	6.9
84.04421	3.7
84.08060	6.6
86.09622	16.3
91.05390	35.2
93.06956	14.9
95.04907	27.6
95.08536	8.2
96.41775	3.6
103.05400	18.8
105.03340	7.8
105.06964	26.2
107.04906	18.0
107.08556	4.1
115.05376	6.1
116.98549	7.2
119.04916	5.7
119.08527	5.3
120.08053	17.3
121.06447	7.1
121.10024	4.3
123.04371	27.0
123.07985	3.9
130.04065	3.6
131.04904	57.7
132.05684	42.0
133.02823	29.0
133.06461	30.6
135.04399	8.9
137.05946	15.1
145.10100	8.4
146.03633	5.7
147.04408	16.8
148.01610	5.6
149.02289	7.5
149.05960	8.7
151.03877	8.4
160.05141	9.2
161.02400	4.1
161.05901	39.3
162.03091	5.5
163.03862	16.9
165.05409	17.6
166.06221	4.2
167.06981	51.0
173.08063	3.8
177.05472	6.9
178.02458	5.5
179.03372	38.3
179.06952	7.3
180.07784	23.3
181.04895	6.3
181.08582	5.8
182.09338	4.6
189.01852	3.9
191.03302	4.1
192.07767	16.6
193.04947	22.2
194.01994	5.1
201.16357	3.6
207.02892	36.2
209.04347	8.8
221.04341	20.0
223.06046	6.0
226.81308	3.9
233.04385	6.0
245.04320	5.5
255.06419	20.2
263.05484	14.2
355.83832	4.1
367.07922	20.3
399.10580	4.6
417.11655	100.0
417.19562	6.0
418.11987	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	417.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02327	0.6
52.39668	0.6
53.52908	0.6
54.71477	0.6
55.01813	0.7
56.96505	0.8
65.03873	0.7
67.05419	1.0
68.99697	0.8
77.03835	3.6
78.04607	4.0
79.05393	4.2
81.03362	0.8
85.02817	1.0
86.09647	0.8
89.03854	2.7
90.04606	1.2
91.05398	6.8
93.06974	1.2
95.04903	17.3
95.05490	1.4
102.04595	3.5
103.05403	19.2
104.06176	19.7
105.03351	6.5
105.06969	28.4
106.04060	0.8
106.07333	0.8
107.04914	3.9
115.05407	14.5
117.03330	7.4
117.07001	0.8
118.04111	5.7
119.04890	5.1
121.06437	4.2
123.04380	19.9
130.04111	5.0
131.04889	100.0
132.05675	99.0
132.06464	1.3
133.01892	1.1
133.02815	18.4
133.06471	21.9
134.03580	1.3
135.04355	5.0
136.01543	0.8
137.05954	3.5
143.04886	1.6
143.05992	1.4
145.06453	1.2
146.03603	8.2
147.04370	5.0
147.44846	0.7
148.01472	3.4
148.05165	1.6
149.02293	3.4
149.05937	9.0
151.03922	5.6
151.07547	0.8
154.06250	1.5
159.04369	1.4
160.05147	30.7
161.02339	8.9
161.05939	56.3
162.03084	1.2
162.06612	3.4
163.03813	8.6
163.07590	1.1
165.01767	1.3
165.05472	8.5
165.06844	1.3
167.06998	12.4
167.11575	0.8
175.07507	10.5
176.04645	1.6
177.05435	22.4
178.02441	1.0
178.06155	3.4
179.03358	11.9
179.06993	2.8
180.07770	7.1
181.04900	1.4
181.08540	1.1
182.09290	1.3
191.03389	2.7
191.06981	9.5
192.07765	45.8
193.04887	1.1
193.08449	3.4
207.02829	14.4
208.03598	1.7
209.04440	3.0
209.08101	1.4
210.08710	1.3
221.04369	1.2
223.05812	0.9
236.04631	1.1
237.05327	1.0
249.05295	1.0
251.06952	3.4
253.04799	0.8
264.04291	1.1
265.04947	0.9
279.06406	3.5
281.04449	1.3
293.04388	1.0
307.05920	0.8
321.07480	1.0
324.06183	0.9
339.08554	1.8
349.06787	1.2
352.05734	1.6
367.08051	74.3
368.08444	3.3
387.10483	1.2
399.10562	8.0
417.11639	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	1.2
55.01805	1.4
55.05449	2.0
57.03364	0.9
58.57967	0.7
65.03854	1.4
66.29362	1.0
67.05415	4.9
69.07000	1.4
70.06510	2.2
71.01260	4.0
71.04904	3.8
72.08051	2.1
79.05400	7.8
81.06981	6.9
84.08045	3.7
85.02818	3.7
85.20721	0.8
86.09618	2.0
89.03838	1.2
90.70217	0.8
91.05429	7.8
93.03280	1.1
93.06969	6.8
95.04906	9.6
95.08537	4.4
97.02796	1.4
98.97535	1.1
103.05384	1.7
105.03336	3.9
105.04404	0.9
105.06944	8.8
107.01282	1.3
107.04886	13.6
107.08530	5.5
108.02026	1.5
109.06456	1.0
109.10091	4.0
110.07062	1.0
111.04389	2.0
117.06932	1.9
118.04106	7.0
119.04919	4.3
119.08533	4.9
120.01980	1.0
120.08023	1.2
121.06447	1.9
121.10109	2.2
122.03538	1.2
123.04371	6.5
124.05157	1.8
125.05949	6.4
125.09544	1.2
131.04909	5.1
131.08527	4.2
132.05698	3.6
133.02820	15.2
133.06436	1.3
133.10100	8.5
135.04376	13.3
135.72951	1.0
137.06017	8.2
138.20410	0.9
141.05432	5.2
143.10622	1.3
145.10095	4.8
146.03615	6.3
147.04391	10.7
147.11694	1.0
149.05968	2.0
149.13219	1.5
150.03108	10.8
150.06740	10.8
151.03883	100.0
151.04976	8.0
152.04532	1.0
153.05440	8.3
159.11638	1.3
161.02303	4.5
161.04770	0.9
161.05913	7.8
161.13165	1.9
162.03052	2.3
163.03867	9.7
165.05464	5.3
166.06200	1.6
167.06989	10.8
173.13205	1.5
177.05370	10.7
178.02682	3.8
178.06210	41.1
179.03358	2.3
179.06763	1.0
181.04965	4.1
190.02573	2.3
191.03270	1.2
191.06953	1.0
193.04906	6.6
194.05775	1.2
195.06485	4.4
196.07291	16.9
201.16324	1.9
203.06976	1.4
207.02861	1.4
208.03624	1.9
219.17384	7.8
221.04413	16.0
222.05150	1.4
223.05951	16.0
232.03708	1.3
237.18488	2.1
267.62860	1.1
417.11603	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	417.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52842	1.0
55.01812	1.2
55.05446	2.4
56.96496	1.3
63.35937	1.1
67.05426	1.5
68.99707	1.4
69.03354	1.6
69.06981	5.0
70.06519	13.6
72.08061	13.7
77.03828	1.5
78.04610	2.4
79.05396	5.9
81.03321	1.5
81.06966	4.5
84.04408	4.6
84.08052	9.0
85.02807	2.9
86.09631	18.8
89.03819	2.4
90.04601	1.2
91.05421	11.6
93.06959	2.6
95.04897	18.0
97.02812	1.2
103.05413	24.4
104.06210	19.4
105.03332	4.4
105.06975	30.7
107.04901	9.3
107.08527	2.4
110.07098	6.1
115.05416	14.4
117.03309	4.8
118.04082	2.7
119.04881	5.7
119.08495	1.3
120.02048	1.9
120.08045	4.9
121.02892	1.2
121.06438	5.2
123.04387	20.0
129.10156	2.4
130.04111	4.9
130.06483	1.5
131.04898	100.0
131.08504	1.6
132.05681	90.0
133.02809	19.4
133.06458	24.5
133.10010	1.5
134.03416	1.3
135.04355	2.5
137.05908	6.2
143.04936	1.7
145.10077	1.4
146.03630	8.4
146.05994	1.5
147.04401	2.2
149.02348	2.4
149.05945	11.9
151.03879	6.6
151.07518	2.1
159.04427	1.4
160.05167	30.9
161.02324	10.3
161.05948	53.9
162.03059	2.8
162.06754	2.6
163.03914	8.4
163.07523	1.5
165.01846	1.3
165.05377	8.1
167.07013	11.1
175.07550	10.0
177.05460	20.0
177.12646	2.5
178.06213	4.6
178.13029	2.4
179.03377	12.9
179.07007	2.7
180.07729	7.4
181.04922	1.3
181.08484	2.1
182.09370	1.5
185.16518	1.6
189.05197	4.3
191.03415	1.4
191.07005	6.5
192.07767	40.0
193.05003	1.4
193.08551	2.3
205.04784	1.5
205.09598	1.4
207.02855	20.7
209.04439	2.5
220.07025	16.7
221.04341	1.6
236.17171	1.9
279.06354	2.1
281.04190	1.4
307.05838	2.2
319.53177	1.2
321.07462	2.1
367.08057	61.8
387.10687	2.1
399.10681	10.6
416.23105	2.4
417.10968	11.1
417.15027	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	417.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81446	0.8
55.01798	3.5
55.05438	4.2
56.04972	3.9
57.03138	0.9
57.03377	16.1
58.43710	0.7
60.04446	4.4
61.01086	0.8
61.02838	0.7
62.49488	0.8
69.03339	4.5
69.07005	1.1
70.06512	29.3
71.01266	0.8
71.04913	1.1
71.06834	0.9
72.08069	27.8
72.45998	0.8
74.05967	3.3
75.04388	4.9
81.03342	1.5
81.06998	0.8
83.06020	1.1
84.04430	16.4
84.08066	22.4
85.02820	13.6
86.09628	31.1
87.05474	0.9
88.03919	3.2
91.05418	10.3
92.10895	1.8
93.04426	1.1
93.06979	1.9
95.04902	1.6
97.02820	6.1
102.05463	4.1
103.03950	0.9
103.05405	41.3
105.03368	1.1
105.06979	3.1
107.04927	1.6
109.02815	1.5
109.06461	1.5
110.03597	9.9
110.07126	9.3
112.08659	0.9
116.07046	3.8
119.04898	13.1
120.05662	1.6
120.06565	0.9
120.08043	4.9
121.06470	6.0
123.04397	19.5
124.03846	0.8
124.05186	9.7
127.03848	2.0
129.10188	13.2
130.04079	1.0
131.04893	100.0
132.05243	1.4
135.08064	1.0
136.07562	3.3
137.05949	27.6
138.06754	19.7
141.10260	1.0
143.11763	3.3
147.04347	1.3
148.05142	14.7
151.07520	6.8
157.09729	1.1
159.07703	0.9
160.05164	1.0
161.05995	1.8
163.07518	37.6
164.07965	1.0
166.06207	24.1
171.11189	1.2
179.06992	2.0
180.07726	1.2
181.08553	14.0
237.11191	4.1
255.12209	14.2
261.14304	1.3
325.03671	0.9
395.66080	0.9
409.36136	1.0
417.15668	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74383	1.2
54.83305	1.3
55.01813	2.3
55.05435	12.2
55.18456	1.2
56.04979	3.2
56.96497	1.9
57.03376	14.4
60.04449	6.1
61.02853	3.4
63.93886	1.3
67.05450	2.1
69.03345	8.2
69.06990	8.1
70.06508	69.7
71.04909	46.2
71.06840	2.4
72.08066	32.8
73.02834	6.5
74.05986	6.4
75.04393	13.7
75.05491	1.7
81.03345	2.7
81.06980	1.3
83.04897	12.3
84.04432	14.0
84.08069	35.1
85.02825	100.0
86.05951	1.4
86.09627	65.3
87.04383	2.2
87.05517	1.9
87.09962	2.6
88.03905	3.5
91.05404	50.4
92.05783	1.7
93.06972	2.4
95.04905	1.8
95.06037	2.1
97.02845	14.2
98.97565	1.5
99.04497	2.0
100.97665	1.3
101.07083	2.7
102.05486	2.7
103.05398	2.6
105.06976	5.7
107.04910	30.2
109.02842	2.3
110.07115	16.8
111.04386	7.5
112.08656	1.8
115.03844	1.6
115.11804	1.5
116.07043	1.5
116.98538	1.6
118.08674	1.3
119.04913	1.3
120.08042	15.3
121.06517	2.4
125.07120	1.5
127.03905	2.6
129.05440	19.0
129.10193	13.3
130.04951	2.5
130.06522	2.6
130.10536	1.5
131.08591	2.0
131.53485	1.5
133.06470	22.1
136.06158	12.6
136.07610	1.6
143.11775	3.2
145.06448	7.9
147.06506	10.9
148.06131	1.8
159.07982	2.5
177.08986	2.2
187.10771	1.7
187.14401	3.0
201.12573	7.5
204.12357	4.9
205.12682	1.8
223.61037	1.6
230.25858	1.5
379.70053	1.4
417.15118	3.4
417.28101	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	417.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04981	2.5
64.29801	3.0
78.92199	3.0
81.06953	4.0
91.05402	15.8
92.10300	4.3
95.08573	2.5
105.07006	3.3
107.08509	20.6
117.06937	4.4
118.39338	3.1
119.08533	100.0
119.09338	6.0
120.08869	58.8
121.09242	6.1
123.08040	4.7
128.48473	2.8
129.96304	2.5
147.08006	3.8
179.53116	2.9
183.45316	3.2
189.07317	2.8
196.04410	3.0
255.06465	4.9
293.95544	3.0
357.17566	3.5
360.49661	3.4
435.20230	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	417.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88726	1.0
53.03872	1.8
54.81842	1.1
55.01808	1.1
55.05450	16.5
57.03365	8.2
57.07003	5.4
61.81155	1.2
64.73590	1.2
67.05430	72.7
68.95330	1.3
69.06991	15.0
71.08546	1.9
79.05405	19.0
81.06975	78.6
83.08542	9.2
85.06478	1.9
91.05402	16.0
93.06983	21.1
95.08530	56.0
97.06428	1.9
97.10094	2.5
98.98399	100.0
105.06971	7.9
107.08529	10.6
109.10104	21.0
111.08046	1.8
116.99442	2.9
119.08514	7.1
121.10120	8.8
123.11642	9.4
133.10071	8.1
134.64850	1.4
135.11665	2.6
137.13231	1.9
139.25507	1.3
141.38414	1.3
147.11656	2.5
149.13237	1.6
155.01009	67.5
161.13210	1.8
163.14780	5.2
172.95184	2.0
173.02069	1.8
175.14793	2.0
245.22716	11.0
263.23660	21.5
264.23904	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11204	2.7
56.96501	3.4
60.04466	3.3
69.03355	3.4
70.06480	21.3
72.08067	37.5
74.05988	4.4
84.04421	6.4
84.08064	4.6
85.02824	6.9
86.09620	23.3
92.10786	4.2
110.07138	12.2
111.57874	2.6
116.07017	3.0
130.04964	3.3
153.26508	3.2
156.10326	3.4
263.44595	3.1
345.07239	3.6
375.35104	3.2
417.24460	3.8
418.10977	100.0
418.15695	5.2
435.33871	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	418.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82577	3.3
62.06011	63.5
63.06332	3.8
72.08058	7.9
75.52213	4.0
84.04406	5.3
84.08049	7.0
85.02755	4.9
86.09612	20.2
91.35928	3.6
107.86035	3.3
108.80589	3.9
110.07091	17.4
125.85831	3.8
131.14523	3.7
136.29768	3.6
136.82944	3.1
177.89458	3.7
254.25415	3.9
418.10971	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77633	0.5
53.00243	1.6
55.01819	0.7
55.05447	2.9
56.04977	0.9
57.03133	0.9
57.03377	14.2
59.04924	2.8
61.01083	15.4
61.02858	1.2
69.03350	38.0
69.06989	0.8
70.06500	10.6
71.04904	0.9
72.08062	13.3
73.02840	1.3
73.08383	1.0
74.05981	1.0
75.04398	3.4
75.23517	0.6
75.47505	0.7
80.91144	0.7
81.03311	1.8
84.04422	4.6
84.08064	9.0
85.02831	37.2
85.08404	0.7
86.09636	10.6
87.04395	24.3
89.04178	100.0
97.02823	26.2
102.05518	0.7
106.76362	0.7
107.05241	41.9
109.02805	1.3
110.07115	4.3
115.03881	19.0
115.04663	1.0
115.48830	0.7
116.07063	1.5
120.08068	0.9
123.04388	4.0
127.03879	4.2
129.10201	5.4
130.10500	0.7
133.04921	13.8
139.03897	3.0
145.04948	1.8
147.04382	3.3
151.03864	8.3
165.05519	0.9
177.05545	0.9
269.10480	4.3
303.08539	7.8
418.16663	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	418.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	1.4
55.05440	7.4
57.07007	20.3
71.04585	1.6
71.04910	20.0
78.44559	1.2
83.04896	23.2
91.05408	2.6
92.10908	2.9
95.04897	2.1
101.05931	7.3
119.08538	3.3
120.08847	2.0
129.06993	2.5
147.08032	2.0
147.11653	2.7
157.47740	1.4
175.01506	100.0
193.02557	3.1
227.04605	1.9
231.07791	11.4
232.96449	2.0
275.06815	10.3
304.90106	1.4
331.12958	73.9
332.13467	1.5
387.19189	61.8
388.19556	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	418.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92688	1.1
55.05458	1.5
57.07008	15.0
58.06529	3.3
67.05437	2.4
69.06988	2.1
70.06509	35.3
71.08532	6.4
72.08061	2.3
79.05416	2.4
81.06978	6.2
83.08547	1.5
84.08062	1.9
86.09631	7.0
88.07571	12.4
93.06969	2.3
95.08545	2.4
98.98422	8.2
102.09141	2.5
132.10175	16.4
146.11726	14.5
155.01030	7.9
180.59804	1.4
197.38870	1.3
215.05373	1.3
268.29858	1.7
312.32452	17.9
356.35129	63.8
357.35635	2.6
418.38824	100.0
419.27576	24.0
419.39050	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	419.1695
Annotation	Comazaphilone F
Peak:m/z	Relative Intensity
52.32729	0.2
53.03886	0.3
54.81773	0.2
55.01801	0.2
55.05450	1.4
57.03365	0.2
65.03571	0.3
65.03864	3.8
67.05419	2.2
69.03336	0.9
69.06960	0.2
79.05394	0.3
81.03317	0.2
81.06982	0.2
82.00478	0.2
82.04098	1.5
83.04897	1.1
85.02824	3.2
88.35323	0.2
91.05414	0.4
93.03324	0.8
93.06966	0.3
93.95448	0.2
95.04890	1.1
97.06441	1.9
105.03347	0.3
105.06968	0.3
107.04886	1.0
108.02015	0.4
110.03597	2.9
111.04404	2.3
113.05940	0.2
116.98558	0.2
118.07834	0.2
118.14983	0.2
121.06441	0.8
125.05949	1.3
128.06218	0.2
129.06984	0.3
131.08531	0.9
138.03069	1.6
139.03851	0.2
140.04820	0.2
141.07011	0.2
142.02588	2.1
144.05666	1.0
149.05971	0.2
153.05452	0.3
154.06218	0.5
158.07196	0.4
159.08037	1.1
167.06993	1.9
171.06488	7.9
173.05965	0.4
177.09081	0.4
180.78934	0.2
181.04913	100.0
182.05267	2.1
187.07536	0.5
187.67116	0.2
189.05573	0.2
190.06142	0.4
191.06947	0.3
204.07826	1.1
205.08496	1.0
206.09366	0.5
209.11691	1.0
219.10098	1.7
237.11169	0.8
247.09630	0.4
265.10638	30.5
266.10986	1.3
341.13773	0.2
419.16733	3.5
426.26025	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	4.0
55.01797	7.1
55.99532	3.3
57.03372	3.5
58.68443	3.1
60.67892	3.0
65.03855	6.6
67.05409	5.6
72.41502	3.4
75.04392	7.6
79.05388	7.8
82.89377	3.3
85.02794	8.2
91.05391	56.9
93.03320	18.8
93.06952	19.7
95.04861	22.0
95.48945	3.5
97.06456	6.3
103.05393	25.1
103.95509	3.5
105.04438	3.7
105.06980	14.5
106.04117	74.1
107.04879	13.8
108.05701	3.3
109.06396	5.4
111.04366	5.0
119.04820	3.7
119.08491	2.9
121.06441	82.3
123.04362	4.5
123.08022	5.0
125.05920	14.8
130.53232	3.8
131.08481	3.9
134.03577	16.9
135.08081	3.2
137.05917	19.2
138.06833	3.9
145.06406	7.0
149.05956	100.0
151.03860	4.0
151.07539	6.5
153.05394	5.2
153.09073	22.9
154.06258	17.8
161.05899	4.0
163.07495	7.3
167.06993	31.5
177.05421	37.1
179.06924	8.7
181.04849	15.1
181.08539	42.3
191.45984	3.4
209.08044	91.4
210.08873	7.7
400.33804	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	419.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01815	2.9
57.03376	7.3
59.53514	2.5
62.60359	2.4
63.45529	2.7
66.82574	2.4
67.05427	3.3
79.05412	6.5
82.42827	2.9
84.04407	5.7
91.05402	33.4
93.06957	28.5
95.04898	20.4
103.05405	30.9
103.49896	2.9
111.04370	5.3
120.05727	3.3
121.06455	47.1
123.04343	3.0
126.94862	3.4
131.04890	5.2
136.60304	3.0
137.05965	7.8
138.06700	6.0
139.03880	17.9
148.05144	7.3
149.05971	13.7
153.09091	6.0
154.06218	64.1
155.06975	3.8
166.06175	15.1
167.07013	19.2
177.05461	16.1
179.06985	32.5
181.04955	36.3
181.08568	100.0
196.64101	2.9
200.86414	3.4
204.02655	3.2
209.08057	57.0
210.08853	71.3
226.93210	3.2
237.11209	6.0
263.26822	4.1
271.81192	3.2
331.57330	3.1
345.19565	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	419.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	3.4
54.81561	3.5
55.01811	4.1
55.05449	4.7
56.96482	15.3
60.20692	3.0
62.34283	2.8
64.33502	2.8
69.03347	4.6
69.06980	3.3
70.06522	11.8
77.12375	2.9
78.04616	3.2
79.05405	21.3
81.03329	5.8
81.06975	11.3
84.08067	3.4
84.27631	3.2
85.02846	12.9
86.00572	4.5
86.09630	7.7
89.45768	3.1
91.05409	14.3
93.06940	4.8
95.04918	4.9
95.08506	4.2
98.97521	3.7
103.05361	7.4
105.06985	20.2
107.04910	29.2
107.08519	6.3
109.10107	3.9
111.04411	3.4
115.05427	12.8
117.06950	21.5
119.08533	7.8
120.08106	3.8
121.06422	4.8
123.04366	7.7
125.05972	4.5
129.06915	6.2
131.04897	12.7
131.08528	13.7
132.01067	3.2
132.05711	6.3
133.02834	7.0
133.06435	4.5
137.05927	8.0
143.04930	4.1
144.05655	6.9
145.06445	34.8
147.04329	4.2
156.05698	13.7
158.55603	3.7
159.08000	14.5
161.05943	16.2
162.06453	3.2
165.09076	5.1
167.06992	69.3
168.07280	4.7
173.05931	32.7
177.05417	3.6
179.03395	3.5
181.04929	17.4
181.08330	3.9
187.07523	3.5
190.06183	17.0
192.07684	4.2
202.06160	5.6
205.08560	27.3
207.06532	6.4
208.03522	3.9
208.05066	22.9
217.08510	30.2
221.05968	3.6
227.06689	3.9
236.04642	7.2
238.09776	6.2
239.10612	16.5
241.08484	4.7
247.07437	6.3
247.09688	5.2
253.12141	13.9
254.05743	11.4
263.10779	5.8
269.07999	30.9
277.08301	3.6
281.07819	3.2
281.11725	19.9
282.08679	7.0
290.09302	4.7
291.09851	4.2
299.12720	16.4
301.07117	3.5
315.08545	100.0
330.07297	6.1
330.10907	67.0
331.11270	6.7
343.11703	5.0
351.12213	6.4
369.08557	7.2
383.14828	15.8
401.15942	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	419.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34488	0.7
53.00217	0.6
55.05453	28.3
55.44942	0.6
56.96489	1.0
57.03369	11.5
57.07021	7.1
67.05070	1.3
67.05425	27.8
69.06988	32.2
71.08546	1.1
71.33871	0.7
79.05407	11.3
81.06508	1.2
81.06976	28.6
83.08538	16.7
86.66630	0.8
87.24287	0.7
91.05424	1.4
93.06963	15.1
95.04826	0.9
95.07976	0.9
95.08537	24.1
97.06453	4.0
97.10101	9.2
98.98396	100.0
107.08510	6.4
109.10107	10.8
111.08031	1.7
111.11659	1.9
116.99426	3.6
121.10081	11.6
123.11674	1.8
134.99734	0.9
135.11635	6.7
147.81754	0.8
149.13210	3.3
151.14716	0.9
155.01013	65.8
165.16313	1.0
214.18932	0.7
247.24152	5.1
265.25150	14.8
298.06870	1.3
348.66022	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30526	1.1
70.05285	1.0
71.08525	1.0
81.05133	1.0
81.06981	1.7
90.15707	1.6
95.08521	2.0
97.46719	1.4
98.98403	5.9
121.10112	1.6
131.21538	1.2
155.01027	4.8
178.28070	1.1
184.82230	1.1
310.54361	1.3
357.35779	1.6
418.39026	1.4
419.31265	100.0
419.38864	3.4
420.21432	14.5
420.31546	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	419.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48851	2.0
55.05433	11.6
55.87486	2.4
55.87767	1.9
56.35439	2.0
57.03348	3.3
57.07005	5.3
67.05419	11.5
69.06960	10.0
70.06484	12.6
76.44041	2.4
76.56980	2.1
79.05376	2.6
81.06960	11.8
81.86469	2.2
83.08510	4.8
88.88388	2.2
89.85854	2.1
93.06935	2.9
95.08534	5.1
98.98398	26.7
100.19039	2.1
121.10057	5.3
141.32114	2.5
155.01035	19.1
181.04843	4.6
333.87827	2.6
356.35178	10.3
357.35425	13.7
418.38715	14.5
419.31393	100.0
419.38965	21.0
420.31641	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	420.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04955	1.9
56.96497	1.9
57.03357	1.3
60.04422	1.4
69.03362	1.7
70.06499	8.0
72.08070	14.2
74.05988	5.4
83.53959	1.1
84.04428	7.7
84.08064	2.1
85.02824	2.6
86.09624	27.3
88.03913	1.4
95.11539	1.3
98.97504	7.9
110.07101	2.4
110.97505	1.9
112.15729	1.7
113.07072	5.3
116.98569	6.7
126.67146	1.3
128.98564	2.2
134.57607	1.4
134.99576	1.8
143.00066	1.5
143.11786	1.6
146.99628	2.3
158.99623	3.0
161.01151	2.0
164.02267	2.5
169.31392	1.4
170.99606	2.4
179.06950	1.8
189.00676	2.8
195.08321	1.3
206.62483	1.3
208.80774	1.2
219.01718	10.3
219.05244	1.7
237.02779	32.8
276.07498	1.6
303.07468	5.6
321.08475	21.4
392.12286	1.8
419.15527	2.2
420.12198	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13267	0.3
53.00249	1.7
54.81702	0.4
55.01812	2.1
55.05452	0.9
56.04971	0.8
57.03375	28.4
59.04935	6.4
59.48847	0.3
60.04447	3.6
61.02861	2.3
65.03857	0.8
65.06543	0.4
67.05440	0.9
69.03349	84.0
69.06973	0.5
70.06507	9.9
71.01272	0.7
71.04886	0.4
71.06870	0.4
72.08068	3.8
73.02834	2.6
74.05991	0.8
75.04404	5.9
79.05410	3.4
81.03339	3.2
81.06963	0.8
83.04909	1.0
84.04416	3.1
84.08055	6.2
84.85865	0.4
85.02827	61.6
86.09622	4.9
87.04393	48.7
91.05404	100.0
92.05782	0.5
93.06978	0.8
95.04916	0.5
97.02822	64.5
99.04378	2.2
101.02318	0.6
102.05460	1.0
103.03869	1.0
103.05434	0.5
105.06964	5.0
107.04909	5.9
107.08607	0.5
109.02814	1.7
109.10122	0.7
110.07122	3.9
111.04417	0.6
115.03880	51.5
115.08588	0.4
117.06956	0.7
120.08013	0.8
121.06443	0.9
123.04384	0.7
125.05958	0.5
127.03868	4.0
128.35455	0.4
129.06949	2.6
129.10220	3.8
131.08527	2.1
131.79063	0.4
133.04932	47.2
133.06508	2.0
135.07910	0.5
137.05930	1.0
145.04939	6.2
145.06407	2.2
149.06010	0.8
150.07587	6.0
157.06470	0.5
159.07999	0.8
161.04556	1.4
163.03883	0.6
163.06010	0.7
163.07269	0.4
169.04930	0.5
171.07953	0.7
175.07527	1.5
205.08539	1.7
211.05992	0.5
217.08574	1.7
223.06044	0.5
223.09612	5.7
223.13223	0.6
235.09683	0.8
241.07019	1.9
241.14323	0.7
253.10550	2.1
259.08063	3.0
277.08972	1.8
295.10144	2.8
307.34006	0.5
426.35773	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15441	2.7
55.01796	3.9
55.05446	16.0
56.96491	19.1
57.03369	15.3
62.54879	3.1
65.03864	2.9
67.05431	51.0
69.06976	17.2
70.06483	3.2
70.59156	2.8
71.04887	3.7
73.02850	4.7
73.06451	4.9
79.05420	25.7
81.06978	43.4
83.08531	7.2
91.05396	26.9
93.06950	26.8
95.04857	6.0
95.08541	19.1
97.02795	4.4
97.06477	7.2
97.10094	4.2
98.97484	18.2
100.08656	3.7
105.06950	19.4
107.08543	25.2
107.09125	3.1
109.06393	4.4
109.10091	13.3
111.08011	3.4
115.21814	3.3
116.98566	16.9
117.06969	5.0
119.08522	7.9
121.06480	4.9
121.10116	6.1
122.03577	4.6
123.08036	4.8
125.09599	2.9
128.22920	3.4
131.08472	5.6
133.10065	8.2
134.99658	5.3
137.05960	100.0
137.64034	3.2
145.10077	4.4
147.11646	4.2
148.04637	3.3
149.13158	6.6
149.24222	3.3
159.11630	5.9
160.43124	3.1
165.09196	5.6
167.07027	7.8
168.07352	4.5
173.11696	6.2
177.12785	3.4
190.02612	3.5
223.05922	39.1
229.14281	15.2
242.27585	3.4
269.17416	28.9
275.19983	7.6
349.23785	7.1
367.24640	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	420.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15441	2.7
55.01796	3.9
55.05446	16.0
56.96491	19.1
57.03369	15.3
62.54879	3.1
65.03864	2.9
67.05431	51.0
69.06976	17.2
70.06483	3.2
70.59156	2.8
71.04887	3.7
73.02850	4.7
73.06451	4.9
79.05420	25.7
81.06978	43.4
83.08531	7.2
91.05396	26.9
93.06950	26.8
95.04857	6.0
95.08541	19.1
97.02795	4.4
97.06477	7.2
97.10094	4.2
98.97484	18.2
100.08656	3.7
105.06950	19.4
107.08543	25.2
107.09125	3.1
109.06393	4.4
109.10091	13.3
111.08011	3.4
115.21814	3.3
116.98566	16.9
117.06969	5.0
119.08522	7.9
121.06480	4.9
121.10116	6.1
122.03577	4.6
123.08036	4.8
125.09599	2.9
128.22920	3.4
131.08472	5.6
133.10065	8.2
134.99658	5.3
137.05960	100.0
137.64034	3.2
145.10077	4.4
147.11646	4.2
148.04637	3.3
149.13158	6.6
149.24222	3.3
159.11630	5.9
160.43124	3.1
165.09196	5.6
167.07027	7.8
168.07352	4.5
173.11696	6.2
177.12785	3.4
190.02612	3.5
223.05922	39.1
229.14281	15.2
242.27585	3.4
269.17416	28.9
275.19983	7.6
349.23785	7.1
367.24640	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1172
Annotation	Bismurrayaquinone A
Peak:m/z	Relative Intensity
52.55200	0.4
53.03872	0.9
55.01811	0.4
55.05443	0.9
56.04955	1.7
57.03369	4.4
59.62127	0.4
60.04447	0.5
60.49434	0.4
61.02842	1.8
67.05416	0.5
69.03336	5.7
69.06985	0.8
70.06138	0.7
70.06504	16.8
71.01275	0.8
71.04888	2.1
71.06817	0.9
72.08064	6.1
73.02831	0.5
74.05985	1.0
75.04386	1.1
81.03324	2.9
83.06045	1.0
84.04437	2.2
84.08067	6.7
85.02825	1.1
86.09624	11.8
91.05400	0.8
93.06939	0.8
93.59605	0.4
95.04912	0.6
97.02802	0.6
97.46945	0.5
98.97524	0.8
99.04360	0.5
105.06956	0.9
107.08520	2.2
110.07109	6.0
116.07026	1.9
116.57698	0.6
116.98547	0.5
119.08529	6.2
120.08043	2.5
120.08834	1.0
123.08012	1.1
129.10207	2.5
129.65886	0.5
133.10092	0.8
135.11642	0.8
143.70380	0.5
151.11182	1.1
158.99553	0.5
159.11716	0.8
161.13200	2.3
177.12732	0.8
187.03928	0.6
188.06992	0.8
189.04762	10.6
189.06401	0.6
189.07085	0.4
205.12253	2.0
216.05861	30.4
223.05879	0.7
223.13252	2.9
229.04353	1.8
237.02838	0.5
241.06544	0.6
242.03766	2.6
242.07405	2.7
242.72949	0.5
243.04597	4.4
244.05321	20.8
256.05356	3.2
258.05664	1.0
262.06360	1.0
269.04755	0.6
270.03247	2.8
270.06644	0.5
271.02859	1.0
272.03522	1.9
285.04391	3.9
286.02557	0.6
286.05103	59.0
287.05902	65.3
316.11337	0.9
324.07028	0.5
325.07529	0.5
326.61539	0.5
329.07358	1.6
346.99750	0.5
359.07660	0.9
360.09833	0.7
378.11234	0.6
385.09622	2.0
403.10532	8.6
421.11646	100.0
422.11948	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1336
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.00219	0.2
53.03893	0.3
56.96501	0.3
57.03370	2.0
57.40014	0.2
59.04910	0.4
61.02849	0.5
62.06005	0.4
62.57868	0.2
69.02997	0.3
69.03343	4.2
70.06499	1.2
72.08054	1.0
73.02779	0.3
76.25852	0.2
79.73079	0.2
81.03326	0.5
83.54190	0.3
84.04398	0.5
84.08059	0.3
85.02821	5.6
86.09604	1.0
87.04383	1.9
90.04349	0.2
97.02816	2.8
97.15644	0.2
98.97511	0.3
100.34082	0.3
109.02824	0.6
115.03858	1.2
115.31902	0.3
116.17616	0.2
127.03870	100.0
128.04173	1.3
133.04880	0.4
136.44005	0.2
137.05959	0.3
144.98740	0.3
145.04973	0.3
150.22009	0.3
183.06496	2.2
219.01733	0.4
237.02632	0.4
289.09106	3.4
321.08273	0.4
420.11838	0.6
421.12570	0.8
421.16898	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	421.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	6.3
57.03365	1.5
57.06812	1.2
57.07018	18.1
67.05445	11.2
68.59331	1.4
69.06993	5.9
71.08556	11.1
74.03770	1.4
79.05421	5.5
81.06969	20.0
82.78236	1.5
83.04936	1.9
83.08512	1.6
85.10078	3.0
89.05966	2.7
91.05409	6.5
93.06950	11.1
95.08537	12.0
97.10095	2.7
98.98399	26.3
105.06992	11.7
107.08526	12.0
109.10142	12.7
109.10792	1.5
119.08528	12.6
121.10110	8.1
123.11664	2.4
131.08531	6.4
133.10100	6.2
135.11630	2.1
137.09589	8.3
143.08603	1.7
145.06436	1.6
145.10126	7.0
147.11681	6.7
149.09570	3.0
149.13284	2.4
155.00995	21.8
158.10887	2.0
159.07985	9.8
159.11691	7.9
161.09589	1.6
161.13246	1.7
165.09076	46.4
169.10138	1.9
171.08054	1.7
172.08830	3.4
173.09604	3.6
173.13257	5.7
177.09053	2.2
177.16426	1.7
183.11687	8.5
185.09608	2.9
186.10361	28.4
187.11082	6.3
189.16364	1.8
199.11154	9.7
201.12709	100.0
202.13031	1.8
205.12250	5.6
215.14305	19.9
346.62463	1.7
421.25854	3.5
421.30576	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81790	1.1
55.01806	1.6
55.05428	4.1
56.04959	1.5
56.96474	0.9
57.03347	1.2
60.04450	1.3
67.05426	1.0
69.03330	4.5
69.06989	1.6
70.06507	16.2
71.04889	0.9
72.08063	7.3
74.05972	1.2
81.03311	1.5
81.06973	1.0
83.04872	1.1
84.00863	0.9
84.04408	4.4
84.08059	14.8
85.02824	11.3
85.03941	1.0
85.08344	0.9
86.09621	10.5
88.03924	1.1
91.05414	1.0
93.06952	1.0
95.04874	2.0
95.08519	1.3
97.02808	3.7
98.97485	4.6
99.04382	1.7
99.05448	1.1
100.11149	1.0
102.05478	1.2
105.35213	0.9
107.08503	1.2
109.02801	1.2
110.05952	1.0
110.07102	3.4
112.45261	0.9
115.04974	1.9
116.98541	1.2
119.04852	1.1
119.08592	3.2
120.08044	12.2
123.04382	10.4
126.75795	0.8
127.03875	1.0
129.10168	7.2
130.06480	28.4
131.08559	0.9
132.06760	1.4
134.05933	1.6
134.99571	1.1
135.04312	1.2
137.05902	4.1
139.03873	3.5
143.94257	1.0
146.05988	4.9
147.04427	6.5
147.07930	1.7
149.09586	0.9
151.03867	26.0
152.20114	0.9
157.07570	100.0
161.09535	1.8
165.05469	1.6
173.06030	1.0
179.10689	3.5
180.06078	1.0
183.06467	26.1
185.07062	3.8
189.09126	1.5
195.01733	1.1
207.10037	1.6
212.87315	1.0
214.09695	13.9
225.07448	5.1
225.14668	3.7
232.43909	0.9
237.02670	1.2
242.09169	77.3
260.10248	6.5
303.08478	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	422.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01792	0.2
55.05436	0.2
57.03384	1.8
61.02848	0.4
64.83672	0.2
68.59457	0.2
69.03331	1.3
70.06499	1.2
72.08044	0.8
75.04396	0.3
81.03335	0.9
81.06940	0.3
84.04391	0.3
84.08053	1.5
85.02819	3.8
86.09607	0.3
91.05408	4.0
93.40678	0.2
95.04907	2.0
97.02825	1.4
98.06017	0.2
98.97508	1.2
105.03260	0.2
109.02850	0.3
109.06449	0.9
110.07060	0.2
116.98561	0.2
119.04894	4.8
122.03594	1.2
123.04376	5.5
127.03854	0.7
129.10191	0.5
134.99658	0.2
135.04378	0.3
136.05135	0.8
137.05952	6.4
140.04655	2.4
151.07516	23.4
154.06219	6.5
155.06964	3.2
160.24062	0.2
165.05504	1.7
167.06990	0.3
168.04158	2.9
169.08548	2.4
177.00777	0.3
177.73528	0.2
182.05626	0.4
183.06491	100.0
184.06830	2.5
189.09085	0.9
193.04977	0.3
197.08043	1.2
207.10120	0.8
207.13730	0.3
225.07541	17.4
225.11145	0.7
226.07864	0.8
228.93646	0.2
237.02792	0.3
243.08545	1.3
243.12227	6.2
333.68408	0.2
353.49759	0.2
381.10559	0.3
411.08853	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12324	0.2
55.01814	0.3
61.02843	0.6
64.14462	0.2
69.03352	1.7
70.06506	0.5
70.95757	0.2
73.02818	0.3
78.40371	0.3
79.05389	0.4
81.03323	0.6
84.04430	0.3
84.08043	0.5
85.02821	3.8
95.04893	1.5
95.08530	0.5
97.02811	1.2
105.03252	0.3
109.06446	0.5
110.07063	0.2
117.50063	0.3
119.08558	0.3
121.10061	0.3
122.03590	1.5
123.04356	1.9
127.03850	0.5
135.04359	0.3
137.05963	5.3
140.04672	2.3
145.04930	0.3
152.82405	0.3
154.02621	0.3
155.06973	3.0
161.13374	0.3
165.05463	1.4
168.04147	2.8
182.05711	0.4
183.06487	100.0
184.06760	2.0
197.07996	0.6
207.13766	0.5
225.07526	17.7
225.14706	0.3
226.07898	0.3
232.57695	0.2
243.08565	2.2
292.63953	0.3
432.21191	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03858	0.9
53.77357	0.7
53.95475	0.7
55.01802	5.4
55.05445	10.2
56.04760	1.0
56.04971	14.4
57.03369	1.6
57.07008	1.5
59.04936	0.8
59.36616	1.0
60.04461	1.2
61.02843	1.2
61.09840	0.7
61.35566	0.8
61.41996	0.8
64.33560	0.9
66.79753	0.9
67.05415	5.9
68.99714	1.0
69.03350	11.1
69.06984	7.8
70.06498	19.6
71.04900	2.4
71.06789	0.9
72.08083	7.0
72.08410	0.8
74.02345	9.5
74.88832	1.0
75.82587	0.8
79.05403	7.4
81.03323	2.1
81.06969	17.0
82.02842	6.2
83.04893	22.3
83.05994	1.0
84.04423	94.5
84.08056	14.1
85.02826	24.3
86.09621	100.0
91.05396	23.5
92.10254	2.1
93.06962	12.9
95.04452	0.9
95.04900	14.3
95.08525	20.1
96.04394	3.8
97.02811	2.3
97.06429	2.2
97.10037	1.1
99.04357	1.7
100.03922	8.4
102.05444	1.1
103.05413	1.6
105.06976	24.1
107.04877	4.5
107.08534	21.4
108.15726	0.8
109.02818	8.4
109.06457	20.8
109.10107	4.5
110.02322	3.8
110.05998	1.2
110.07085	3.9
111.05510	1.0
111.07999	3.9
112.07536	1.5
112.08668	1.0
115.05379	1.2
119.04883	22.9
119.08534	23.5
120.08035	4.7
121.06444	7.2
121.10088	16.3
123.04377	30.9
123.08010	16.3
123.11623	2.3
127.03911	1.9
127.04964	5.1
129.10197	4.6
130.06480	1.7
130.08551	2.2
131.03384	1.4
131.04903	1.8
131.08525	2.3
132.08047	2.4
132.10149	18.2
133.06461	8.8
133.10078	5.6
134.05980	7.8
135.06743	4.0
135.07979	2.0
135.11626	8.3
136.07542	32.3
137.09573	5.7
138.09064	1.5
139.07437	1.5
145.06418	1.8
147.04355	10.3
147.08029	4.1
147.11658	9.0
149.09570	15.5
151.07520	15.0
152.10649	1.3
156.09334	1.2
157.06416	3.5
158.06012	1.0
159.04317	1.1
159.11647	1.5
161.09570	1.3
161.13200	22.4
163.05951	1.4
163.11151	4.6
165.05432	11.9
165.12662	1.9
167.07031	1.4
167.10596	4.0
169.08589	3.5
171.11629	1.9
172.07530	20.5
174.10370	1.0
175.08606	1.4
177.12711	3.8
179.14243	4.3
188.07011	5.4
189.08977	1.0
189.12634	8.6
192.07697	0.9
195.11324	6.5
195.13708	2.0
198.72638	0.9
200.07030	11.6
204.06570	1.9
207.13759	43.5
214.85052	0.9
217.09692	12.0
225.11290	1.5
225.14807	18.5
241.11848	5.1
243.15826	1.3
246.07567	1.5
262.11832	3.5
263.10095	4.6
309.10718	1.2
313.15329	1.6
330.18011	21.8
347.32214	1.0
358.17706	1.4
376.18546	61.3
377.18448	1.5
404.18176	1.2
405.16379	2.1
422.19098	40.5
422.85876	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01805	0.3
55.05444	0.3
57.03373	4.6
61.02851	0.5
66.96382	0.3
69.03340	2.0
70.06510	1.5
71.92928	0.2
71.96230	0.2
72.08081	2.1
75.04406	1.4
79.05392	0.7
81.03325	0.7
84.04440	0.5
84.08076	1.8
85.02827	5.6
86.09636	1.1
91.05402	11.1
95.04887	3.0
97.02847	1.7
98.97549	0.7
105.06987	0.5
107.04888	0.4
109.06470	0.6
110.07100	0.6
119.04891	9.9
122.03599	1.2
123.03485	0.4
123.04382	12.2
127.03891	0.6
129.10205	0.6
133.06366	0.4
135.04396	0.6
136.05139	1.3
137.05052	0.4
137.05952	9.6
139.03868	0.3
140.04639	2.0
146.55241	0.3
149.96097	0.3
151.07518	58.6
152.07927	0.4
154.06213	15.3
155.07018	3.0
165.05447	1.2
167.07001	2.1
168.04128	3.2
169.08553	5.5
179.06966	0.3
182.05641	0.7
183.06488	100.0
184.06853	1.9
189.09097	2.1
197.08066	0.6
205.27377	0.3
207.10094	2.6
225.05852	0.4
225.07535	15.4
225.11104	1.3
243.08449	1.4
243.12209	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	422.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01810	2.6
57.03360	0.7
60.00926	0.4
66.48126	0.5
67.05424	0.9
67.14353	0.4
70.85397	0.4
76.56092	0.5
79.05405	11.1
81.06969	0.8
84.04416	2.1
91.05402	5.2
92.06188	0.7
92.63807	0.7
93.06969	1.0
95.04889	2.0
103.05393	8.2
104.06196	1.1
105.06971	45.2
107.04887	4.0
109.06475	1.9
115.05392	2.8
117.06976	0.7
118.04102	6.5
119.04878	1.2
120.05695	2.1
121.06461	3.8
122.03598	0.5
122.07233	2.6
123.04323	0.5
124.05164	0.7
131.04877	1.1
132.05698	0.8
133.06454	35.4
134.07271	1.2
135.04379	3.1
135.08014	4.7
137.05951	13.4
148.05144	3.2
149.05981	1.0
150.06729	14.0
151.07510	1.1
161.05902	0.7
165.09074	28.4
178.06232	1.9
193.08562	100.0
194.09161	2.8
197.48787	0.6
309.26740	0.6
422.34790	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01799	0.6
55.05443	2.2
56.04962	0.9
57.03370	0.9
57.07001	1.8
57.73339	0.3
60.04464	0.5
61.02846	0.9
65.03843	0.7
67.05418	2.0
69.03335	0.9
69.06976	3.1
70.06507	8.0
71.04900	1.0
72.08070	4.7
74.05956	0.4
76.88440	0.4
79.05406	11.0
81.03349	0.6
81.06969	3.1
83.08503	0.5
84.04430	2.0
84.08058	6.0
85.02830	6.7
86.09648	6.2
87.09978	0.4
91.05401	10.2
93.06967	10.3
95.04901	1.0
95.08535	3.7
97.02827	2.0
105.06972	13.4
106.78166	0.3
107.04869	0.7
107.08538	100.0
108.08858	1.6
109.06468	6.3
109.10120	2.1
110.07112	2.0
111.11676	0.4
119.04932	0.5
119.06039	0.9
119.08537	23.6
120.08047	4.3
121.10105	8.4
123.04359	0.5
123.08018	0.7
127.03841	0.7
129.10188	3.4
130.06525	0.4
131.08472	0.6
133.06447	2.5
133.10138	3.0
135.08046	0.7
136.30692	0.4
137.05949	1.7
137.09628	0.9
139.07449	0.4
145.05008	0.4
145.10101	2.0
147.08011	2.5
147.11624	1.8
149.09601	0.4
151.07524	25.4
153.09062	0.5
161.13223	25.8
165.09068	5.7
171.11536	0.8
179.14255	12.3
189.12709	7.0
207.13768	47.9
208.14162	0.9
225.14816	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	422.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82764	1.6
53.90244	2.0
54.25511	2.2
55.01804	3.3
55.05437	13.0
56.04953	2.8
56.96497	3.9
57.03371	5.2
57.07003	2.6
61.02841	3.6
67.05415	12.1
69.03345	15.5
69.06973	3.8
70.06518	16.8
70.70805	2.1
71.04911	3.2
72.08050	13.3
73.02827	2.8
79.05389	4.4
81.03313	4.8
81.06945	3.6
83.04914	7.5
83.06001	2.5
84.04411	14.1
84.08063	14.3
85.02815	28.1
85.06455	8.6
86.05986	3.3
86.09623	16.9
91.05377	15.1
92.72974	2.4
93.06968	20.7
95.04890	15.1
95.08519	9.7
96.25512	2.2
97.02804	5.4
97.06479	4.4
98.97504	11.2
99.04371	12.0
105.06977	27.6
107.04874	2.9
107.08537	19.3
109.02798	2.1
109.06446	13.9
109.10097	8.9
110.07092	9.1
116.98515	4.8
117.06959	2.7
119.04891	3.7
119.08532	32.5
120.08051	28.2
121.10088	13.0
123.04364	20.8
123.07961	5.3
127.03893	4.3
128.10751	2.3
129.10214	4.5
130.04988	2.9
130.06462	20.0
132.08098	2.8
133.10074	3.8
134.99612	4.9
136.07544	2.7
137.05942	14.5
137.09564	3.8
139.03896	3.8
143.04950	2.3
143.07066	2.3
145.02849	3.0
145.10139	2.5
146.06017	3.7
147.04353	9.8
147.11644	3.8
149.13156	3.3
151.03871	42.5
157.06288	3.6
157.07573	77.2
158.07872	4.1
159.11664	3.5
161.05904	3.1
161.09569	2.7
161.13232	4.8
163.64917	2.2
165.05443	9.4
168.04126	2.9
170.05948	12.9
177.10291	2.3
177.12709	11.5
179.06985	14.1
183.06482	100.0
184.06871	3.7
185.07088	3.1
189.12672	4.9
195.13760	20.3
207.06451	3.8
207.10101	3.7
207.13789	9.7
214.09685	12.5
225.07503	15.5
225.11111	3.1
225.14845	15.7
237.02650	3.8
242.09184	65.6
243.08791	4.3
243.15970	2.8
300.20102	2.4
303.08612	23.1
399.70712	2.8
401.45435	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	1.9
54.81912	0.8
55.01811	4.5
55.05453	15.6
55.79161	0.9
56.04967	1.5
57.03362	4.1
57.07006	2.4
59.04929	3.9
61.02849	1.7
64.33940	0.9
67.05422	30.9
69.03003	1.4
69.03348	26.6
69.06990	17.9
69.99461	0.8
70.02910	0.8
70.06511	17.3
71.04911	4.1
72.08068	8.5
73.08390	1.0
74.05987	1.1
74.84538	0.9
79.05406	15.2
80.72891	0.9
81.03337	9.5
81.06971	34.6
83.04919	9.2
83.08525	7.7
84.04414	5.9
84.08045	11.8
85.02826	37.2
85.06467	8.7
86.09603	7.5
87.04382	1.5
88.03909	1.3
91.05402	11.8
93.06965	31.7
95.04888	19.2
95.08529	100.0
96.08892	1.7
97.02818	8.9
97.06457	6.2
97.10076	2.1
99.04395	1.7
104.13094	0.9
105.06972	32.1
107.04926	1.6
107.08536	26.5
109.02846	1.8
109.06471	12.3
109.10098	4.2
110.07102	6.9
111.08035	12.4
113.05950	37.1
117.06892	1.3
119.08544	25.6
120.08044	1.6
121.06433	4.1
121.10091	25.4
123.04360	8.5
123.08008	13.5
123.11623	2.1
125.09577	4.9
127.03873	8.6
127.04659	1.1
129.10197	5.3
131.08522	5.5
132.05553	1.0
133.06432	3.8
133.10100	18.6
135.07991	4.2
135.11665	17.1
137.05978	7.9
137.09572	6.8
137.13213	1.7
139.07483	1.5
139.11133	4.1
140.04622	2.0
141.09065	1.5
145.04982	3.5
145.10130	1.6
147.04387	1.4
147.08034	4.1
147.11661	19.5
149.09578	10.3
149.13217	1.7
151.07523	11.0
151.11147	11.0
155.06989	4.0
156.09308	2.4
159.11667	5.7
161.09552	1.6
161.13206	17.0
163.11160	9.0
165.05464	1.8
165.09024	1.5
165.12672	1.2
171.11607	4.4
174.10284	1.9
177.12669	9.3
179.14230	1.5
183.06480	63.1
184.06866	2.1
189.12691	22.8
193.04951	4.9
195.13750	5.7
202.95528	1.0
207.13759	51.9
225.07503	10.5
225.14752	15.4
233.96864	1.1
243.15903	1.5
393.37393	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03890	2.0
54.81763	1.8
55.05432	2.5
56.04965	3.7
56.96499	2.2
57.03370	2.5
57.06999	2.5
58.99530	2.6
59.04927	8.0
60.04462	2.2
61.01105	1.6
61.02839	2.9
62.99027	1.7
67.05432	4.0
69.03346	19.5
69.06982	7.8
70.02853	4.0
70.06497	20.6
71.04901	3.2
72.04431	10.0
72.08069	7.5
73.02843	3.4
74.05994	3.8
76.02136	21.4
79.05417	2.3
81.03328	12.7
82.06499	21.3
83.06015	4.2
84.04430	37.4
84.08063	77.7
84.92898	1.8
85.02821	22.5
85.06463	9.7
85.34414	1.8
86.09624	100.0
87.04379	7.6
87.19562	2.0
90.04955	3.9
90.05482	74.1
95.04905	4.3
96.04421	4.6
97.02846	26.8
97.06466	29.6
98.02341	8.4
98.05963	3.6
98.97530	4.0
103.07499	7.5
107.04913	2.0
108.04440	4.0
109.02822	4.2
110.05957	2.7
110.07127	2.8
111.04386	4.1
112.07493	2.9
114.99768	1.8
115.03919	2.6
115.08677	2.5
116.01629	10.0
116.03383	11.1
116.98594	3.4
120.08064	15.4
124.07576	13.9
126.05469	12.3
126.09116	4.2
127.03919	2.9
128.07063	4.0
128.10699	3.2
129.10176	10.0
130.05006	7.4
130.08624	4.4
132.10182	56.5
134.05978	3.2
134.99600	3.9
139.03819	4.5
142.08621	9.6
144.01140	2.4
144.06549	3.5
147.11272	3.2
151.03880	15.4
157.13290	3.6
162.02158	3.8
162.05487	3.1
164.10738	3.6
169.05035	3.2
179.04788	4.5
182.29735	2.1
183.06439	2.3
184.09651	17.8
192.06526	2.1
195.14867	10.2
202.09145	3.8
202.10742	27.2
203.13887	35.1
210.11192	2.6
212.12788	2.9
219.01752	3.7
220.11830	91.9
221.12553	1.9
230.13469	2.2
237.02914	6.8
241.15425	10.6
242.09933	13.1
243.13182	2.0
256.97754	2.4
260.09656	18.1
260.19711	3.1
302.10904	6.5
302.20700	2.7
308.08926	8.5
319.08139	3.7
338.16974	3.5
338.20807	3.2
368.21881	3.4
386.22809	7.9
397.25583	2.6
423.12463	2.6
423.22916	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	422.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03160	1.1
57.07005	9.0
57.48843	1.6
61.90100	1.2
65.03866	2.0
70.06502	16.8
71.08542	2.4
74.28913	1.4
88.07569	16.3
91.25538	1.2
93.06943	1.3
96.90712	1.3
99.95568	1.3
102.09103	15.6
121.02751	1.6
148.47421	1.6
149.02318	100.0
149.03354	4.7
173.96021	1.4
193.04915	84.0
256.26309	38.0
269.76221	1.5
380.75711	1.6
422.28943	64.0
423.29355	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	422.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05439	23.5
57.03140	5.3
57.03373	100.0
57.07007	85.2
61.98820	4.2
63.91483	4.2
67.05422	20.3
69.06967	26.6
70.51221	4.4
71.08542	63.1
75.02153	4.4
75.04398	60.7
81.06976	43.2
82.17477	4.9
83.08533	22.5
85.10092	31.8
87.88088	4.4
95.08524	42.1
100.00742	5.2
101.05917	5.1
109.10110	21.1
111.04446	4.9
123.11597	6.3
126.79227	6.1
131.07018	5.6
149.02333	6.3
169.81982	5.2
239.23621	9.3
284.42001	5.7
313.27283	57.2
387.30975	88.8
388.31213	8.8
422.35910	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	423.1258
Annotation	SC-51089
Peak:m/z	Relative Intensity
51.30259	0.9
53.87736	0.9
56.03716	0.9
56.04967	1.5
60.05574	1.8
61.02871	1.2
64.32913	1.1
67.67671	1.3
68.24047	1.0
69.03354	1.2
69.06982	1.7
70.06495	10.9
72.08060	5.9
75.64639	1.0
84.04420	7.3
84.08055	12.4
84.93645	1.2
85.02824	7.0
86.09624	2.7
97.02808	1.9
98.03326	1.1
101.04187	2.0
110.07110	1.9
120.08037	4.7
127.03888	1.8
129.10196	5.4
148.36969	1.1
172.04262	6.1
175.11855	5.1
383.08371	1.3
423.12518	100.0
424.12988	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97348	0.2
53.03890	0.2
54.81383	0.3
55.01810	0.3
55.05429	0.3
57.03371	9.3
61.02839	0.5
69.03000	0.4
69.03344	5.8
73.02811	0.5
73.65381	0.2
76.55364	0.2
81.03329	1.2
83.04887	3.6
84.04419	1.1
84.08044	0.3
85.02820	8.5
87.04389	3.3
97.02828	4.7
98.97517	0.3
101.05950	9.5
106.29868	0.3
106.89922	0.3
109.02814	0.3
111.04397	3.6
115.03890	1.0
120.08035	0.6
127.03875	0.6
127.08638	0.3
129.05431	100.0
130.05785	0.6
133.04880	0.4
145.04935	0.5
183.06512	0.5
291.10724	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	1.8
54.81711	0.9
55.01800	5.3
55.05441	4.4
56.04968	1.9
56.96506	1.3
57.03364	3.4
57.07005	1.8
59.04933	1.3
60.04447	5.0
61.00805	0.9
61.01080	15.7
61.02820	0.7
65.03879	0.9
67.05424	4.3
69.03352	8.3
69.06975	3.9
70.02869	0.9
70.06149	1.2
70.06513	30.3
71.04892	4.0
71.06822	0.7
72.04064	1.3
72.04433	25.6
72.08068	14.2
73.02830	4.9
74.05991	1.8
78.01514	0.7
78.03709	37.3
79.05386	1.9
81.03333	3.4
81.06968	6.2
83.04888	4.0
83.06019	3.5
84.04434	9.7
84.08063	20.6
85.02822	24.5
85.06465	3.9
86.05983	3.4
86.09630	21.9
87.04398	1.0
87.05516	1.0
88.02139	9.0
88.03909	1.4
91.05394	12.7
92.05728	3.6
93.06961	3.3
95.04900	6.7
95.08514	1.8
96.08086	0.8
97.02802	4.6
97.06429	1.2
98.02346	3.4
98.05956	3.2
98.97521	1.8
99.04394	14.9
99.05482	9.2
102.03703	44.9
102.05446	1.5
103.02090	5.3
103.03251	1.2
103.03882	28.2
103.05388	1.3
104.01589	1.4
105.06985	3.7
107.08535	3.2
109.02829	8.3
109.06469	4.7
109.10092	1.8
109.94569	1.0
110.07129	8.7
110.30665	0.8
111.07981	0.8
112.07503	1.2
112.08680	1.9
113.05945	3.6
114.03716	7.9
114.05474	1.4
115.03862	0.7
115.08652	1.2
116.07021	0.8
116.98557	1.0
119.04910	1.1
119.08527	4.4
120.04746	8.4
120.08054	13.8
121.10072	2.8
123.04380	3.4
123.07983	1.2
124.07531	3.9
125.07059	1.4
126.04530	1.4
126.05474	37.8
127.03868	13.1
129.10176	9.5
130.04951	1.7
130.08623	3.2
131.04875	0.9
131.06342	19.3
132.04761	33.3
133.04950	1.0
133.06461	0.9
133.10100	1.5
134.99586	1.2
136.07539	6.6
137.05908	1.2
137.09607	1.0
137.42641	0.9
139.03899	1.0
141.06540	3.1
141.10143	0.8
142.08615	8.6
143.11797	1.2
145.04913	1.0
145.10129	0.8
147.05840	1.9
147.11601	3.8
149.07425	74.7
149.09564	7.0
150.09929	1.8
152.07027	3.2
154.08565	1.6
158.02693	1.7
159.05817	4.6
161.13206	3.4
170.05933	1.1
175.05331	4.5
177.10156	1.9
180.06526	22.2
184.09634	4.1
187.97040	0.8
189.12694	1.9
198.07556	4.7
202.08607	0.8
207.13748	4.7
212.97339	0.9
216.08621	1.4
225.14815	10.8
226.15170	3.1
231.11559	5.4
243.15892	1.5
261.12576	7.1
275.10638	3.0
293.11594	100.0
303.13705	1.1
346.15570	1.0
405.16824	38.0
423.21915	1.1
435.20914	0.9
438.72946	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73567	13.0
71.96284	12.3
75.30043	16.4
78.23457	13.3
105.06945	56.1
108.48170	15.2
109.37383	14.9
119.08549	18.4
126.15000	14.9
150.02751	15.2
159.64967	14.2
250.97453	20.9
423.21405	100.0
427.02780	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	423.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01807	10.3
55.05447	36.0
57.07006	7.6
67.05421	95.4
67.29697	6.5
69.03333	10.9
69.06967	15.7
79.05396	100.0
80.40274	6.9
81.03326	27.3
81.06968	97.1
83.08521	11.2
91.05423	60.1
93.06948	97.4
95.08518	72.3
97.02806	74.3
99.04359	14.5
105.06978	49.6
107.08506	37.0
109.02821	9.3
109.10088	30.9
117.06992	10.8
119.08550	30.2
121.10087	52.0
127.03839	14.3
131.08522	29.6
133.10086	14.3
135.11656	9.9
145.10052	13.2
147.11690	10.2
173.13234	8.9
211.71701	6.5
212.41873	7.7
261.22003	31.5
283.16995	10.3
409.43713	6.9
423.26813	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	423.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	4.8
59.18074	0.7
60.86947	0.8
67.05434	9.9
67.05717	1.2
69.06966	5.9
75.13863	0.9
79.05396	1.5
81.06982	9.1
86.65382	0.9
88.05024	13.4
88.07527	1.0
89.05943	1.8
91.05402	3.8
91.77176	1.1
93.06969	7.8
95.08519	8.9
105.06962	8.6
107.08499	8.7
109.10102	20.2
119.08514	10.1
120.08624	1.0
121.10077	2.5
122.07227	1.6
123.11624	1.9
129.43407	1.0
131.08504	1.1
133.10086	4.8
135.11635	2.1
137.09598	14.5
145.10030	1.4
147.08012	4.6
147.11665	3.8
149.09526	1.7
149.13223	1.2
150.23190	1.0
159.11649	2.4
161.13193	1.8
165.09076	100.0
166.09378	4.5
175.14844	1.3
179.10608	2.2
190.09872	2.4
203.10481	1.3
203.14357	1.2
203.17847	3.9
205.12195	20.4
206.12538	1.5
336.28882	4.2
402.84650	1.1
423.32285	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	423.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	3.3
56.28229	1.4
58.52948	1.3
59.21614	1.3
66.70008	1.3
67.05418	8.4
69.06991	23.2
71.41772	1.4
71.47961	1.2
79.05418	3.7
81.06977	24.7
83.04928	1.5
83.08514	1.5
89.05953	3.2
89.25941	1.4
91.05386	5.6
91.83334	1.7
93.06954	16.0
95.08535	16.6
95.73017	1.5
105.06962	16.5
107.08524	11.0
109.10108	13.5
119.08540	21.3
121.06419	2.4
121.10128	10.5
123.11652	9.3
131.08553	3.4
133.10138	7.7
135.08032	3.3
135.11740	6.4
137.09607	13.9
145.10121	6.6
147.08025	98.5
147.11676	9.1
148.08382	1.7
149.02362	3.5
149.09613	2.4
157.10057	2.1
159.11720	2.6
161.09599	9.2
161.13150	2.7
163.11218	1.5
164.75774	1.8
165.09061	65.3
165.10350	2.7
173.13225	2.2
177.12794	2.0
189.09032	2.6
189.12645	2.2
201.12747	3.3
203.14273	100.0
203.17844	5.0
205.12193	6.5
205.15845	3.0
217.15852	9.0
257.40466	1.6
418.12247	1.6
423.32498	82.8
424.32822	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	423.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64118	0.4
51.29712	0.4
54.81817	0.5
55.05449	1.0
57.07004	0.9
58.16940	0.5
67.05409	2.1
68.31149	0.4
69.06980	2.8
79.05422	1.2
81.06565	0.4
81.06977	3.8
83.08512	0.5
85.95108	0.5
89.05952	1.1
89.09576	0.5
91.05418	1.0
93.06979	1.2
95.08543	3.2
97.06444	0.5
105.06994	0.6
107.08535	1.2
109.06475	2.7
109.10097	1.1
109.26138	0.5
119.08546	5.7
121.10124	2.2
123.08025	4.7
133.10107	2.0
135.08011	2.9
135.11676	0.6
143.08519	0.6
147.08029	20.5
147.11665	0.7
149.09569	3.3
150.77441	0.6
159.08018	0.9
159.11679	0.8
161.09590	14.3
161.10892	0.6
165.09058	1.9
173.09592	1.2
173.77359	0.5
174.10263	0.8
175.07596	0.8
175.11172	3.8
179.14282	8.3
188.11964	2.5
189.12698	2.4
189.16423	0.8
203.14288	100.0
204.14629	3.1
217.15825	17.2
217.17796	0.9
235.63953	0.5
331.26285	1.2
418.31384	0.6
423.30936	13.1
424.31479	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00243	1.6
53.03873	1.6
55.05442	6.9
57.07008	1.7
67.05421	18.4
69.06991	19.2
71.08569	1.7
75.73141	1.2
79.05405	13.0
81.06973	100.0
83.08531	1.8
89.05932	2.0
89.71168	1.4
91.05389	3.2
93.06974	15.8
95.08529	36.8
105.06975	3.4
107.08527	12.2
109.10083	12.4
119.08486	6.3
121.10098	9.4
123.07990	1.6
123.11643	3.8
133.10089	2.3
135.11620	1.8
137.09566	8.9
137.13210	2.1
147.11710	3.2
149.09604	6.5
149.13263	2.7
165.09070	71.3
187.10939	1.5
189.08992	1.8
191.10565	2.4
203.17780	1.7
205.12222	8.2
209.88190	1.5
266.87640	2.0
273.18314	2.3
278.41138	1.7
404.09958	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	3.3
54.82018	0.6
55.01810	1.5
55.05447	1.3
57.03376	9.2
61.02856	11.7
69.03349	25.1
70.84754	0.5
71.04901	5.1
73.02843	5.8
73.06477	5.2
81.03326	7.3
81.06987	0.8
83.04894	1.6
84.04416	0.9
85.02827	100.0
86.03148	1.2
86.09666	0.7
87.04386	2.9
91.03873	4.7
91.80073	0.6
95.08569	0.8
97.02824	27.7
98.97474	0.7
99.04379	4.2
101.05982	1.1
109.02816	7.6
112.03954	0.6
115.03852	1.0
120.08067	1.0
121.10071	3.6
122.31946	0.7
124.07549	2.8
127.03886	17.9
129.05437	19.0
130.05783	8.4
136.07553	0.8
145.04930	26.3
147.11646	0.8
154.08546	0.7
163.05975	8.0
165.12727	0.9
166.08568	1.6
208.09537	0.8
262.12808	15.0
424.17719	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33924	0.9
53.03878	1.4
55.01825	1.2
55.05218	1.3
55.05449	22.6
56.04963	6.5
56.12431	0.9
56.96487	1.2
57.03357	5.2
57.07006	1.1
60.04435	4.2
61.02841	2.1
64.33118	0.9
67.05423	8.1
69.03352	7.9
69.06978	8.7
70.06504	22.5
71.04903	10.0
72.07791	0.8
72.08069	14.3
72.33709	1.0
73.08403	1.1
74.05985	1.3
79.05406	9.3
79.20988	1.1
81.03336	2.2
81.06966	12.6
83.04901	12.7
83.08533	16.2
84.03938	2.0
84.04421	35.2
84.07588	1.6
84.08057	25.2
85.02825	33.5
85.03881	1.0
85.06478	2.0
86.09621	13.3
87.04363	1.9
88.03919	1.7
89.97190	1.0
91.05388	7.5
92.10320	1.4
93.06959	20.5
94.19751	0.9
95.04890	79.4
95.08517	7.6
97.02804	5.3
97.06447	6.3
97.10086	2.1
99.04386	18.6
99.08032	1.1
102.05460	10.8
103.05341	1.3
105.06963	12.0
107.08524	26.4
109.02821	1.6
109.06461	5.4
109.10102	17.4
109.34357	1.0
110.07114	12.2
111.08009	5.1
115.07535	1.5
115.08610	1.8
117.06954	1.3
119.04879	1.2
119.08529	10.2
120.08054	27.6
121.08373	2.2
121.10087	45.9
122.05927	1.3
123.04314	1.7
123.08018	3.9
123.11659	4.6
125.09552	2.1
127.03861	4.0
129.06479	1.4
129.10170	8.9
130.04955	4.0
130.65404	1.1
131.08542	10.7
132.04413	1.9
133.10080	12.2
135.07983	2.2
135.11633	1.9
136.07576	8.6
137.05957	26.5
137.09554	4.9
139.03893	4.3
139.11136	1.4
143.08537	1.3
145.04892	2.4
145.10060	4.2
147.11676	7.8
149.09613	1.9
149.13187	6.2
151.11151	18.5
153.09077	19.3
153.12625	1.1
155.10730	1.2
158.10927	1.3
161.02815	1.6
163.14774	9.0
166.08606	8.3
167.08136	2.4
167.14272	18.9
173.13206	9.9
175.14764	6.7
191.10670	1.9
191.14256	11.9
193.15819	4.2
209.11911	3.0
209.15326	100.0
222.45450	1.1
227.16370	10.2
232.07768	1.2
244.10551	1.7
268.78561	1.0
297.40033	1.0
341.99182	1.3
403.63950	1.1
424.21555	1.2
425.17728	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53442	0.4
53.00248	0.7
53.03868	0.8
55.01804	0.6
55.03542	0.4
55.05445	9.5
56.04969	1.2
56.96488	1.0
57.03363	2.3
57.06777	0.4
57.07016	5.0
60.04448	0.7
61.01067	0.5
61.02854	1.1
62.53691	0.4
64.74424	0.4
67.05422	5.4
69.03346	4.7
69.06987	9.6
70.06511	17.3
71.04893	3.1
71.05215	0.4
71.08540	0.6
71.20632	0.4
71.40068	0.4
72.08070	6.9
73.02837	0.5
74.05981	0.8
79.05405	8.0
81.03334	1.0
81.06976	20.1
81.30341	0.5
83.04881	2.4
83.05999	0.5
83.08540	9.0
83.44695	0.4
83.89484	0.4
84.04436	4.6
84.08065	11.7
85.02829	12.6
85.06464	2.5
85.08420	0.5
86.09146	0.6
86.09625	10.6
87.04398	0.5
88.03890	0.4
91.05404	3.5
92.10342	0.6
93.06972	21.1
94.07297	0.4
95.04879	1.2
95.06018	0.6
95.08538	12.0
97.02796	3.5
97.06453	2.8
97.10089	3.6
99.04381	0.7
101.07162	0.5
105.06980	4.2
107.04871	2.0
107.08538	47.4
109.02815	2.2
109.06467	1.0
109.10108	7.3
110.07108	3.2
111.04394	4.1
111.08035	4.3
112.08677	1.6
116.98534	0.6
119.08528	10.1
120.08046	5.5
121.10096	20.6
123.08016	2.2
123.11648	2.7
125.05946	10.6
125.09598	7.7
127.03840	2.0
127.07527	0.6
129.10210	6.2
131.08508	2.0
133.10094	2.8
135.08005	4.2
135.11647	6.4
136.07564	2.0
137.09663	0.6
137.13225	2.3
139.07513	8.3
139.08495	0.7
139.11102	0.8
141.09021	0.8
143.10661	3.4
145.04987	0.7
145.10088	2.0
149.09613	0.9
149.13184	3.8
151.11124	0.9
153.09088	9.4
163.14790	44.5
164.15134	0.9
167.10634	2.5
170.06041	0.8
171.10156	0.7
173.13191	4.3
181.15800	1.8
188.07068	0.6
191.14290	28.3
192.14529	0.8
209.15347	19.0
225.14745	0.6
227.16379	100.0
228.16624	1.6
245.17551	3.4
285.14987	0.7
290.05927	0.9
315.59839	0.5
383.12939	0.7
415.10526	0.4
424.11920	3.1
424.16959	0.7
425.17703	4.3
428.47873	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32687	1.8
53.00229	1.6
55.01796	6.5
55.05193	1.5
55.05450	39.9
56.04963	8.4
56.96495	2.7
57.03356	9.7
57.07000	7.5
59.04916	1.9
59.82999	1.6
60.04452	8.3
65.03850	2.9
67.05076	2.3
67.05420	42.4
69.03343	92.2
69.06984	35.2
70.06135	3.2
70.06503	62.7
71.04615	1.4
71.04910	23.6
72.08063	24.8
73.02788	2.2
74.05988	4.0
79.05402	39.3
81.03333	62.9
81.06972	65.8
83.04902	18.8
83.08531	12.5
84.04430	16.7
84.08060	45.3
85.02819	32.2
85.06448	19.0
85.08384	2.0
86.09624	37.7
87.04394	2.7
88.03925	2.4
88.27926	1.5
91.05398	27.7
93.06967	68.8
95.04886	39.1
95.05951	1.5
95.08533	37.1
97.02818	8.8
97.06475	13.1
97.10094	33.3
98.97498	7.1
99.04374	3.2
99.08019	2.8
102.05459	4.0
105.06981	41.8
107.04874	8.0
107.08534	100.0
109.06454	47.9
109.10075	14.6
110.07115	27.0
111.04380	10.5
111.08005	9.4
113.05907	2.1
115.03868	25.6
115.08620	2.7
116.07034	3.6
116.98560	4.0
117.06950	16.0
119.08537	30.0
120.08056	16.7
121.06457	6.7
121.09199	2.8
121.10085	75.6
123.04362	7.2
123.08009	19.9
123.11654	15.6
125.05961	3.5
125.09572	7.2
127.07487	3.0
128.07039	2.1
129.05423	11.2
129.10196	21.3
130.06590	1.8
131.08530	30.5
133.10092	60.0
134.99634	2.5
135.08014	28.1
135.11649	18.9
136.07545	7.7
137.05943	18.0
137.09509	2.2
137.13251	2.3
139.03894	3.9
139.07480	2.6
139.11133	7.7
143.08545	2.8
145.10114	18.9
147.04378	1.9
147.11656	16.2
149.05981	12.1
149.09592	15.3
149.13199	18.6
151.03860	2.2
151.11131	12.6
153.05405	2.6
153.09071	29.2
155.06963	2.7
158.10823	8.3
161.05913	3.3
161.13223	14.3
163.11186	2.1
163.14767	39.1
165.12752	2.5
167.10664	2.9
171.10120	3.3
173.13213	60.7
177.00642	1.8
177.05368	7.4
179.14291	3.9
181.15746	1.8
191.10526	2.9
191.14259	74.7
191.65118	1.8
192.14517	1.9
193.08609	2.3
198.09000	6.2
209.11761	6.7
209.15314	87.7
227.12738	7.8
227.16364	93.8
245.13808	15.9
245.17496	3.4
264.12210	2.0
289.08575	1.9
296.94507	2.3
341.14737	2.4
389.16574	7.3
395.18912	1.7
425.17603	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	424.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81829	1.5
55.05448	1.4
57.07008	8.1
61.52821	0.9
72.13705	1.0
76.43456	1.0
86.09624	20.0
91.05392	2.0
93.06955	1.2
94.45452	1.1
105.06950	8.5
107.08543	4.1
119.08504	16.6
121.06470	2.6
121.10088	31.0
133.06421	2.1
133.10074	14.7
138.08234	1.0
145.10057	1.4
147.08037	1.3
147.11659	27.4
160.08719	1.3
175.11131	14.4
183.57019	1.0
187.12335	1.1
217.16399	1.0
267.74487	1.1
283.16855	100.0
284.17096	2.0
339.23141	41.2
340.23697	1.5
424.31921	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05439	2.9
57.06988	1.2
58.93223	0.6
63.17207	0.5
65.78570	0.6
65.84079	0.6
66.72910	0.6
67.05428	7.4
69.06987	13.8
79.05402	4.7
81.06513	1.4
81.06972	38.0
82.07305	4.9
83.46069	0.5
85.97523	0.6
89.05942	3.4
91.05393	2.5
93.06959	7.9
95.08530	13.4
96.08886	1.1
105.06950	2.8
107.08530	6.8
109.10096	11.5
119.08547	6.3
121.06459	11.1
121.10099	5.4
122.07229	0.9
123.11623	2.8
131.08527	0.8
133.10065	2.3
135.08009	1.2
135.11646	1.4
136.08806	13.2
137.08643	1.0
137.09596	15.0
147.11632	1.2
149.09560	4.8
149.13341	0.7
151.07481	0.9
163.11234	0.7
163.60454	0.7
164.08284	23.6
165.09073	100.0
166.09393	7.0
177.09035	2.8
178.09770	0.6
179.10754	0.8
189.09111	1.0
190.09727	1.2
191.10603	3.1
201.12761	0.8
203.10619	16.8
204.11310	1.6
205.12231	8.0
206.12572	0.9
217.12189	2.8
220.14563	1.3
232.14365	1.1
239.14854	1.2
239.79803	0.8
243.13643	1.0
331.78125	0.7
398.22452	0.6
406.18851	0.7
424.33234	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1416
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
51.65050	0.5
51.68776	0.4
55.05458	1.1
56.04957	1.0
60.04462	0.7
69.03322	0.8
69.06979	0.7
70.02853	0.5
70.06510	11.0
71.04897	1.1
72.08063	3.8
73.08408	0.4
74.06004	0.6
81.06962	1.0
84.04431	2.5
84.08064	4.7
85.02828	3.0
86.09618	4.0
87.04393	0.6
91.05408	4.2
93.06956	0.5
95.04905	0.8
95.08546	0.6
97.02797	0.8
103.03822	0.6
104.03242	0.8
105.06947	0.8
107.08572	1.7
110.07103	3.2
119.08519	0.8
120.08045	2.2
126.05478	0.8
127.03896	0.5
129.10181	2.8
131.08557	0.5
131.19095	0.6
136.07503	0.8
149.13283	0.9
162.04111	0.6
163.73218	0.5
167.14075	0.5
180.06610	0.5
191.14165	0.5
196.80774	0.6
209.15364	2.0
260.10901	0.5
261.09137	0.5
294.11755	0.8
308.77771	0.5
425.14056	100.0
426.14395	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
62.74252	0.6
64.32956	0.7
65.74980	0.7
66.09901	0.6
69.06997	0.8
70.06488	0.8
72.08057	0.9
82.02854	1.2
84.04446	0.9
84.08048	1.1
86.09621	1.7
90.05504	0.8
91.56853	0.7
94.06479	4.1
103.05384	1.0
104.04935	0.7
110.07120	4.3
115.05413	10.6
118.06491	18.7
119.06865	0.7
120.08041	8.2
121.08378	1.1
129.10193	1.2
130.06490	62.4
132.04410	41.9
132.08020	6.5
142.06491	45.0
143.07195	3.2
144.08064	11.7
146.05983	53.0
147.06291	4.0
148.07507	0.7
157.06293	1.0
157.07574	26.0
158.05975	84.3
159.06332	1.0
159.09140	51.6
160.07568	1.2
161.02878	1.0
170.05942	5.2
175.08621	100.0
176.07088	1.2
176.08939	1.4
186.05466	1.1
188.07019	51.5
189.07349	4.3
203.08086	7.1
204.06511	3.4
205.09717	12.5
220.11856	0.9
221.09164	64.7
222.09337	1.3
245.04993	1.1
254.75075	0.7
270.12546	0.8
279.06400	0.8
287.60672	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2295
Annotation	dehydrocholic acid
Peak:m/z	Relative Intensity
52.54194	7.5
52.92514	8.2
55.20589	7.3
56.96496	12.8
63.81711	7.8
75.86111	8.8
78.46411	8.1
80.74066	8.4
81.07001	10.0
91.86189	8.8
95.08535	11.1
111.93716	9.9
132.53682	9.0
133.73001	10.2
216.07664	12.8
425.23120	100.0
425.31830	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	425.2661
Annotation	Leu Arg His
Peak:m/z	Relative Intensity
53.16813	1.3
55.05436	2.2
57.07013	1.5
67.05424	3.2
69.06999	2.9
77.81743	1.4
77.98250	1.3
79.05430	1.7
81.06969	3.4
89.05960	14.6
92.26896	1.5
92.64832	1.4
93.06966	2.3
93.40823	1.4
95.08548	2.7
105.06940	1.5
107.08543	2.5
119.08575	2.3
133.08594	6.1
147.97490	1.7
167.00749	1.5
184.19235	1.6
239.14816	6.5
254.22736	2.0
260.03302	1.7
268.57397	1.5
302.11383	1.7
407.24835	1.9
425.21075	3.5
425.26578	100.0
425.32309	3.3
426.27130	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78555	5.3
55.01809	8.7
55.05445	38.4
57.03348	6.7
57.07014	7.4
60.84371	5.7
62.15553	5.2
62.77311	4.9
66.87245	5.4
67.05425	83.7
69.03339	13.9
69.06986	28.2
71.99538	5.8
79.05405	45.1
81.03341	14.7
81.06979	100.0
83.04850	10.0
83.08527	9.6
89.05936	47.4
91.05415	36.3
93.06976	54.2
95.04877	10.4
95.08527	63.0
96.19894	6.3
97.02802	14.5
105.06999	47.0
107.08527	31.3
109.10080	28.9
117.06960	6.9
119.08493	9.0
121.06477	12.4
121.10104	10.3
131.08534	25.5
133.08522	9.7
133.10129	24.8
143.08536	8.9
145.10085	10.8
147.08025	23.3
147.11670	6.3
159.11710	8.9
169.92381	6.7
196.32523	6.4
203.14291	28.4
217.15843	23.1
277.59799	6.0
293.24695	6.9
341.95300	6.3
343.26889	7.7
371.25693	11.4
389.26767	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	425.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94741	2.9
55.01810	5.6
55.05453	28.6
57.07017	7.7
57.72052	3.1
57.92311	2.6
67.05422	100.0
69.03333	6.3
69.06982	33.7
71.08520	2.9
74.92275	3.5
79.05419	31.2
81.03328	16.1
81.06973	88.6
83.04902	3.8
83.08533	7.0
91.05408	17.1
93.06971	35.3
95.08521	61.2
97.02822	62.1
98.88943	3.4
99.04385	8.1
105.06960	19.4
107.08533	20.7
109.02874	3.8
109.10088	25.7
119.08483	7.9
121.10092	6.8
123.11658	7.9
123.13118	3.4
127.03860	6.5
133.10083	6.6
135.11638	8.1
137.09674	3.2
137.13170	3.7
137.27042	3.7
138.05809	3.2
138.99609	3.3
149.13191	5.8
150.49390	3.4
178.09273	3.5
201.32903	3.7
242.84033	3.3
245.22513	6.9
263.23648	23.3
271.67661	3.2
359.25757	6.4
379.49826	3.9
428.83905	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	425.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00243	2.9
53.03881	4.7
53.89209	1.9
54.38343	1.8
55.01809	10.5
55.05446	33.0
57.03370	18.1
57.07011	57.2
67.05425	100.0
69.03342	14.0
69.06989	37.9
71.04915	10.6
71.08543	29.1
73.02828	8.5
79.05404	31.1
81.03333	18.1
81.06969	99.5
83.04902	3.2
83.08529	15.8
85.02828	4.6
85.10109	15.2
89.05958	21.4
91.05382	17.3
91.62348	2.3
93.06976	37.6
95.04877	3.9
95.08524	80.1
97.02817	65.0
97.06448	3.1
97.10109	11.2
98.98373	5.0
99.04388	33.8
105.06969	18.5
107.08543	19.7
109.02808	4.5
109.10110	23.7
112.99956	91.4
116.31779	2.3
117.07010	8.9
119.08527	10.5
121.10089	12.8
123.11654	10.4
127.03854	15.8
129.06946	2.7
131.08508	2.7
133.08565	4.4
133.10107	9.3
135.11674	4.8
145.04939	4.3
145.10095	3.6
147.08052	4.1
147.11650	7.5
149.13181	2.4
155.01073	4.9
161.13219	3.9
169.02554	60.4
171.11398	2.1
175.14871	3.7
239.14862	4.1
245.22433	2.7
263.23608	19.4
305.24789	2.4
313.27255	29.4
327.28680	2.4
371.25327	2.7
389.26776	2.6
408.33649	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	425.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01809	12.3
55.05449	26.0
57.03357	13.5
57.07014	50.1
67.05421	100.0
67.34747	3.1
69.03333	20.7
69.06996	30.8
71.04884	4.9
71.08545	39.5
73.02816	5.1
79.05422	25.5
81.03326	19.9
81.06974	78.0
83.08533	13.0
83.92553	2.9
85.02795	3.2
85.10112	15.4
89.05932	7.1
89.25628	3.0
91.05410	24.4
93.06954	27.3
95.08532	67.5
97.02818	48.4
97.10072	5.3
98.98392	57.4
99.04390	38.5
105.06946	14.3
105.72558	3.4
107.08537	14.0
109.01949	2.7
109.02816	18.8
109.10108	32.2
109.10734	4.3
112.99937	15.6
119.08511	5.8
121.10106	8.0
123.11649	12.2
127.03879	29.8
133.10135	4.4
134.27458	3.1
135.11615	6.6
145.04903	5.4
155.01035	39.8
161.13205	4.0
169.02541	3.6
175.14841	4.5
253.25246	4.5
263.23688	16.8
313.27209	3.5
324.54517	4.1
327.28830	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	425.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03922	0.5
53.03875	0.8
55.05442	9.0
57.06998	3.2
60.68747	0.6
61.72468	0.5
66.93794	0.6
67.05421	16.5
69.03809	0.6
69.06977	21.0
69.13401	0.5
71.08543	0.8
79.05397	14.9
81.06966	100.0
82.07283	1.0
83.04861	1.0
83.08091	0.6
83.08543	3.7
85.02807	0.7
86.20903	0.6
89.05944	7.5
91.05389	5.3
93.06963	22.0
95.04882	1.3
95.08522	41.0
97.10081	1.5
105.06953	6.1
107.08530	16.1
109.06394	2.7
109.10101	17.5
119.08524	5.3
121.06427	0.8
121.10094	10.8
123.08044	1.5
123.11638	6.9
123.31736	0.6
127.11192	0.6
131.08521	2.3
133.06517	0.8
133.08540	2.4
133.10074	2.7
135.11668	6.7
137.05939	5.6
137.13203	3.7
139.07495	1.5
141.05434	4.6
145.10112	1.1
147.08020	0.7
147.11670	1.5
149.05875	4.8
149.13177	7.6
151.07549	5.8
155.20351	0.7
159.07904	0.8
159.11653	2.7
161.13203	1.1
163.14793	3.0
165.05411	2.9
165.09065	2.9
167.06989	37.2
167.34349	0.7
168.07297	1.0
173.13148	0.8
175.07544	0.7
177.16371	0.9
178.06180	0.8
180.78300	0.6
181.08624	1.3
191.07001	3.1
193.08540	1.0
205.08545	3.3
205.19449	1.2
207.10165	3.9
215.10617	2.4
219.10117	0.8
221.11554	0.9
233.11720	1.0
239.14822	3.9
259.24020	0.9
310.19778	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28079	2.3
55.05453	5.3
57.06998	2.8
62.65565	2.5
64.95921	2.2
66.19865	2.2
67.05443	25.0
68.51544	3.1
69.06966	18.5
78.56517	2.8
79.05405	12.5
81.06971	100.0
89.05949	23.6
91.05380	5.0
93.06970	20.2
95.08531	41.7
100.72356	3.1
105.06960	4.8
107.08540	13.7
109.10100	24.9
119.08528	4.1
121.10129	5.5
123.11623	5.8
128.67226	3.0
129.74675	3.0
131.08551	3.3
133.08545	9.9
135.11638	6.6
151.07524	5.7
165.05400	3.4
167.07042	32.3
239.14931	6.5
249.83223	3.1
249.85526	2.7
252.10132	3.3
270.62778	2.9
435.86447	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04997	1.0
55.05449	1.7
57.07021	1.9
58.52600	1.2
60.03880	1.1
60.07111	1.0
63.17305	0.9
64.06927	1.1
65.18877	1.2
66.30656	1.0
67.05437	1.4
69.06988	4.5
73.69025	1.0
74.09586	1.0
81.06973	6.8
84.36384	1.2
85.59264	1.1
89.05950	11.0
92.92453	1.3
93.07021	1.3
95.08525	2.6
107.08503	1.9
121.06466	2.2
133.08536	4.9
151.09573	1.4
191.20392	1.4
203.01753	1.3
207.72797	1.3
239.14893	4.9
240.15436	1.2
279.54758	1.5
425.32263	100.0
426.32629	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05439	20.7
57.03352	3.3
57.07003	8.1
67.05422	19.7
68.27581	2.8
69.06996	32.4
71.04903	4.0
71.08541	5.5
79.05419	12.5
79.18162	3.0
81.06972	41.1
83.08535	7.6
85.06429	3.2
89.05949	24.2
91.05392	5.8
92.10300	4.9
93.06957	32.3
95.08521	42.9
105.06964	16.3
107.08550	43.5
109.06478	7.8
109.10084	25.5
111.07964	5.6
114.20896	4.1
117.06966	3.8
119.08537	22.8
121.10125	27.8
123.07999	21.2
123.11708	4.3
128.32327	3.2
131.08530	4.3
133.08537	6.6
133.10081	7.4
135.11659	6.0
145.10019	4.1
147.08020	26.2
147.11662	7.6
149.13239	3.8
157.10054	3.9
159.11658	4.3
161.13206	5.0
162.26175	3.5
167.14278	4.1
168.72650	3.3
177.16365	4.0
179.14322	26.5
185.09871	3.4
187.14864	7.3
191.14270	4.2
196.43948	3.7
201.12843	3.4
203.14261	21.2
205.15894	12.6
239.14778	7.9
277.21472	4.1
309.52017	3.5
327.50180	3.8
333.27844	43.2
338.74359	3.5
345.25632	4.2
351.28632	5.6
424.38034	3.8
425.32870	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3406
Annotation	alpha-Tocotrienol
Peak:m/z	Relative Intensity
52.28104	1.3
53.82519	1.2
54.81395	1.6
55.05447	5.1
57.07019	1.3
58.48671	1.2
67.05420	9.1
69.06971	7.6
77.68171	1.2
79.00087	1.1
79.05408	5.6
81.03299	1.2
81.06992	13.2
89.05945	2.9
91.05414	1.7
93.06977	6.9
95.08521	10.4
105.06937	2.2
107.08541	6.4
109.10093	13.5
111.01953	1.3
119.08533	3.3
121.10075	6.1
123.11690	2.0
137.09581	14.6
149.09567	2.0
149.13176	2.3
163.14754	2.5
165.09065	100.0
166.09366	2.6
187.11185	1.5
190.09866	1.8
195.44144	1.5
205.12190	13.3
425.33984	2.5
437.49844	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3412
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.05441	3.7
57.03326	0.7
57.06998	1.1
61.06166	0.6
66.07825	0.8
67.05417	4.8
69.03319	0.8
69.06989	8.8
76.56300	0.9
79.05395	3.5
81.06974	9.1
83.04886	1.3
83.08521	1.2
84.86063	0.7
89.05927	2.9
91.05396	1.8
92.10339	1.1
93.06984	7.6
95.08535	12.9
97.06419	1.3
99.08012	1.0
105.06967	14.3
107.08539	14.3
109.06496	1.0
109.10101	13.8
117.06967	0.9
119.08550	10.4
121.10116	11.0
123.07986	0.7
123.11655	1.9
131.08519	9.9
133.08510	1.4
133.10114	6.2
135.08000	4.4
135.11679	5.7
137.09584	1.8
137.13173	1.5
145.10112	11.5
147.11658	3.6
149.09612	3.1
149.13225	1.8
159.11658	6.1
161.13239	3.5
163.14867	1.6
173.13235	1.2
175.14792	1.1
175.64479	0.9
177.16357	9.7
178.17818	0.9
179.14133	0.8
187.14807	11.1
191.14305	1.9
201.16316	1.5
203.14354	1.9
205.15846	100.0
206.16156	3.8
219.07707	0.9
219.17366	1.5
239.14891	1.2
286.07913	0.9
290.38971	0.8
407.32782	1.6
425.33981	70.8
426.34305	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80435	2.1
54.14809	2.3
54.64703	2.7
55.05447	10.1
57.06999	4.1
67.05418	18.5
69.06985	36.5
69.07316	4.3
70.80249	2.5
71.04926	2.4
71.08518	2.2
76.68156	2.3
79.05399	13.0
81.06969	100.0
82.48862	2.5
83.08536	10.7
89.05927	10.8
91.05405	11.0
93.06963	28.1
93.87922	2.4
95.08528	57.9
97.10120	4.2
105.06960	22.2
107.08528	41.1
109.10101	35.4
119.08510	25.5
121.10072	38.6
123.11655	13.6
127.11063	3.2
131.08466	3.8
133.08560	4.6
133.10089	16.4
135.11646	19.7
137.13234	5.2
145.10104	5.9
147.11667	16.4
147.39751	2.5
149.13248	15.1
153.09047	2.5
159.11641	13.0
161.13194	4.8
163.14784	4.4
165.09123	4.7
167.06989	5.7
169.10045	3.4
173.13229	5.6
175.14775	9.6
183.05220	2.7
187.14738	3.6
189.16336	4.7
191.17957	3.5
201.16420	3.9
203.17900	3.2
211.31619	2.7
213.16327	3.6
215.17802	4.5
217.19298	2.8
239.14763	9.4
246.79300	3.1
345.35587	3.2
425.37607	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	425.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71698	5.0
55.05440	29.0
57.06992	6.8
61.11141	5.9
65.31725	6.2
67.05425	28.7
69.06973	44.8
79.05387	12.4
81.06962	77.6
82.85926	5.6
83.08567	7.4
84.11009	5.9
88.82859	5.8
89.05952	26.7
91.05393	22.9
93.06953	60.5
95.08520	100.0
98.10806	6.3
100.97561	6.1
101.93435	7.0
105.06966	38.3
107.08527	78.4
109.10104	84.8
119.08515	54.1
121.10092	71.8
123.11666	31.2
131.08482	7.3
133.08542	8.2
133.10121	33.3
135.11662	37.6
137.13200	12.7
144.75377	6.8
147.11630	35.8
149.13293	48.8
159.11679	15.0
161.13208	27.5
161.55687	6.7
163.14796	10.5
167.64395	6.2
173.13194	7.4
175.14685	9.7
177.16377	25.4
189.16397	8.9
191.17885	14.1
203.17867	14.3
205.15851	9.0
205.19421	13.1
215.18045	9.5
217.19463	24.6
217.57082	6.8
407.36301	7.9
425.37994	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	426.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00240	2.1
53.03893	1.3
53.22770	0.9
54.98942	0.8
55.01818	1.3
55.05188	1.6
55.05450	44.7
56.88073	0.9
57.03371	31.4
59.04927	7.4
60.04456	1.7
61.02856	2.3
64.10378	0.9
65.39227	0.8
67.05414	6.7
67.32439	0.8
69.03349	100.0
69.06989	11.7
70.06511	9.6
71.04906	5.9
72.08068	2.5
73.02825	4.6
75.04393	8.0
79.05414	4.0
81.03344	5.0
81.06975	14.0
83.04877	1.8
84.04409	1.8
84.08070	6.7
85.02824	91.8
85.06464	8.3
86.09620	6.9
87.04390	57.0
91.03860	1.5
91.05402	4.6
93.06950	5.7
95.04895	2.2
95.08535	26.2
97.02820	66.2
97.06461	4.6
97.10107	25.6
98.97541	1.0
99.04378	4.7
99.08000	1.4
101.02302	1.1
103.03857	1.5
103.05393	1.5
105.06982	4.4
107.08576	3.9
109.02828	2.4
109.06458	1.3
109.10113	9.8
110.07156	3.3
111.08057	4.3
112.59633	1.1
113.09589	1.5
115.03876	55.8
117.06950	1.7
119.08513	4.3
120.08064	5.3
121.10109	1.6
125.09599	1.8
127.03890	11.0
129.10194	1.5
133.04927	48.3
133.10106	5.7
133.26685	1.0
135.11662	1.0
137.05925	1.0
139.57986	1.0
145.04907	11.6
147.11623	1.9
149.00626	1.0
150.07587	5.6
151.03882	1.3
151.14777	6.7
153.09103	2.0
155.10657	1.6
163.05980	1.7
175.14774	10.9
181.12227	1.3
193.15892	10.4
211.16905	15.3
223.13159	1.1
229.17926	11.5
241.07011	1.3
247.18858	1.9
259.08026	4.2
259.15240	1.3
277.09171	1.6
277.16397	3.9
295.10257	1.9
323.64923	1.2
427.17319	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	426.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03410	2.6
55.05446	4.6
55.94905	2.6
57.03360	4.2
57.07004	21.0
67.05411	3.8
69.06976	13.4
71.08539	13.9
79.05421	3.5
81.06966	13.2
83.08556	3.7
84.08100	3.0
85.10125	3.1
85.75343	3.0
91.05383	11.7
93.06960	4.2
95.08513	6.4
104.99229	12.7
105.06953	35.9
107.08543	4.2
109.10096	5.1
112.99964	57.7
114.00283	3.5
119.08511	25.7
121.06427	13.3
132.05667	6.4
133.10080	20.9
145.06435	4.5
146.07251	19.7
147.08029	56.9
147.11609	3.3
159.08072	4.7
161.09554	40.9
169.02583	28.3
175.11156	58.0
211.11165	6.5
213.28755	3.5
223.11136	5.0
225.12654	5.0
229.00386	8.0
234.18631	5.4
234.51697	3.3
239.02388	4.1
269.15305	14.3
290.46606	3.5
296.16373	6.1
305.55450	3.0
314.27670	13.5
321.10318	4.6
325.21402	7.3
380.25653	52.8
381.27277	5.1
403.17987	14.2
426.26257	100.0
426.32867	6.7
427.26407	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	426.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	0.8
54.81326	0.7
55.05455	6.3
56.96503	0.8
57.03368	1.3
57.07005	3.0
61.02847	0.8
67.05425	11.2
69.03340	2.8
69.06991	13.2
70.06503	4.0
71.04901	4.1
72.08082	0.7
79.05397	3.8
79.10458	0.7
81.03343	0.8
81.06972	43.7
82.21776	0.7
83.08545	4.9
84.04400	0.8
84.08069	3.8
85.02824	7.3
85.06477	0.7
86.09609	4.3
91.05405	4.3
93.06960	7.2
95.04897	6.9
95.08530	74.1
96.08871	0.7
97.02819	1.0
97.06456	1.0
97.10073	3.0
99.08035	0.8
100.11166	0.8
105.06960	6.0
107.08508	4.4
109.06473	1.0
109.09402	1.1
109.10104	23.4
110.07106	1.2
111.08043	1.5
111.11675	1.3
116.98557	0.9
119.08547	7.9
120.08029	1.6
121.10075	1.6
123.04376	6.4
123.08032	1.1
123.11649	3.5
127.03884	1.0
127.07522	0.8
128.09068	0.8
129.10217	1.6
133.10095	10.1
135.11650	3.7
137.05971	1.1
140.04634	1.3
147.11627	3.6
149.13213	9.3
151.07513	1.4
151.14796	100.0
155.06996	3.2
165.16364	3.1
167.07002	1.7
169.15848	10.8
175.14778	23.6
183.06468	5.3
193.15852	35.2
200.43787	0.8
211.09656	1.5
211.16907	36.2
229.17969	12.3
247.18922	7.0
406.15631	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	0.6
55.01809	0.5
55.05449	8.4
55.82896	0.4
57.03378	3.2
57.07012	3.5
59.04934	0.7
59.84970	0.4
60.90214	0.4
61.02839	2.0
67.05431	14.2
69.03346	4.2
69.06992	17.4
70.06514	3.9
71.04894	3.9
71.08527	1.8
79.05407	3.2
81.03337	1.0
81.06979	47.7
83.08549	7.1
84.04449	0.6
84.08056	0.9
85.02826	14.4
85.06467	0.9
86.09634	1.7
91.05405	3.7
93.06976	7.8
95.04906	0.8
95.08540	82.8
96.08846	1.1
97.02823	3.7
97.06455	1.9
97.10107	5.3
98.97485	0.5
99.04396	0.6
100.07513	0.7
100.11201	2.1
105.06978	7.8
105.15311	0.4
107.04929	0.6
107.08553	6.1
109.02827	1.1
109.06445	0.7
109.10110	30.1
110.89350	0.4
111.08051	2.0
111.11662	3.6
113.09590	0.6
116.98588	0.6
119.04919	0.5
119.08549	10.6
120.08041	0.7
121.10066	3.2
123.08004	1.5
123.11677	2.2
127.03880	1.0
131.08412	0.4
133.06465	1.6
133.10100	13.2
133.27513	0.4
135.11670	5.7
137.05975	1.0
137.09596	1.0
145.01678	0.4
147.11685	4.4
149.13242	11.2
151.14803	100.0
151.34641	0.4
152.15155	1.7
165.09070	0.6
165.16376	4.1
169.15858	2.2
175.14792	29.5
182.15431	0.7
193.08522	2.3
193.15860	40.9
194.16171	0.6
210.14883	1.0
211.09653	2.7
211.16911	40.3
212.17148	0.5
215.68086	0.4
229.17960	10.0
247.19005	5.6
299.19809	0.4
325.92093	0.4
445.12704	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01801	0.8
55.05450	9.4
57.03362	3.3
57.07003	2.5
61.02848	0.8
67.05428	14.7
69.03355	5.7
69.06988	18.3
70.06510	4.1
71.04898	3.0
71.08549	1.0
72.37611	0.6
72.74557	0.5
79.05405	3.1
81.03344	1.2
81.06974	52.7
83.04898	0.7
83.08535	6.8
84.04450	0.8
84.08064	6.8
85.02829	12.7
86.09628	4.6
91.05403	5.5
93.06982	8.5
94.78500	0.7
95.04904	1.2
95.08533	83.9
96.08903	0.6
97.02811	4.7
97.06452	1.2
97.10124	5.3
99.04334	0.7
99.55450	0.7
103.05460	0.8
105.06989	7.9
107.04845	0.7
107.08540	7.4
109.02828	0.7
109.06501	1.0
109.10110	29.1
110.07117	0.9
111.08011	0.9
111.11653	4.7
112.36539	0.6
119.08540	9.6
120.08054	3.3
121.10114	2.8
123.08035	1.0
123.11670	3.6
125.09484	0.9
127.03876	1.3
129.10173	2.2
131.04845	0.8
131.08566	0.6
133.10091	13.6
135.11646	3.9
137.05988	0.9
137.09601	1.0
147.11639	5.3
149.05925	0.9
149.13251	15.6
150.13524	0.6
150.51656	0.6
151.14799	100.0
152.15155	1.3
165.16367	3.8
167.06982	3.6
169.15794	1.0
175.14789	31.8
177.49480	0.7
185.18991	0.6
193.15852	39.3
194.16145	1.1
211.16904	33.0
229.17969	12.1
247.18988	7.4
303.26123	0.8
323.39081	0.6
426.21729	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	1.2
55.01802	1.0
55.05448	8.7
55.55109	0.6
56.04964	4.0
56.96503	0.7
57.03378	1.3
59.06061	0.5
60.04454	1.2
61.01083	1.4
61.02850	0.9
65.03842	0.7
67.05425	6.5
69.03344	10.7
69.06981	3.2
70.06507	35.0
70.06893	1.3
71.04897	3.4
71.06828	1.3
72.08069	11.1
74.05983	2.7
75.04399	0.9
79.05402	3.6
81.03326	3.1
81.06978	6.6
83.04904	3.1
83.06036	1.1
83.08530	6.4
84.04424	11.0
84.08062	30.2
85.02822	9.2
85.06419	0.8
85.08394	1.1
86.09626	10.8
89.77322	0.7
91.05392	8.7
91.48319	0.6
93.04430	0.9
93.06963	18.4
95.04897	13.1
95.05988	0.7
95.08538	3.6
97.02832	3.4
97.06470	2.9
98.05994	0.7
98.97499	2.8
99.04382	0.8
101.09589	2.5
102.05485	1.5
104.05284	0.7
105.06963	16.3
107.04929	2.3
107.08512	5.4
109.02830	1.5
109.06448	11.5
109.10091	1.4
110.07114	13.4
111.04403	4.8
111.08047	1.1
112.07568	0.9
115.08681	0.7
116.98585	1.2
117.06950	3.1
119.04908	1.3
119.08534	14.5
119.10625	0.9
120.08074	4.3
121.06450	8.4
121.10050	1.2
122.05981	1.5
123.04366	2.5
123.08037	2.6
125.05946	0.8
127.03847	0.9
128.06186	1.3
129.05432	1.0
129.06937	1.2
129.10190	12.9
130.10493	0.8
131.08519	4.5
133.06442	2.3
133.10109	8.1
134.99612	0.9
135.08018	4.0
136.06108	1.4
136.07545	5.5
137.05934	3.5
137.09616	0.8
139.03883	0.9
139.07545	0.8
141.06979	0.7
142.07753	4.2
143.08524	6.4
144.09303	1.0
145.02864	0.8
145.06462	2.6
145.10094	11.7
146.07268	2.8
147.08057	3.1
147.11681	4.2
149.06000	1.1
151.07513	1.0
154.07787	0.7
155.08472	0.7
156.07654	1.0
156.09286	0.9
157.10077	7.2
158.07272	2.9
159.08046	5.5
159.11598	4.9
161.01236	0.8
161.05994	1.0
161.09586	16.0
163.07503	1.0
166.06131	0.7
168.09279	1.1
171.07928	1.0
171.11662	1.1
172.08771	2.7
173.09560	4.0
173.13232	4.2
175.07503	1.3
175.11063	4.8
183.06517	0.8
183.11588	2.9
185.04207	0.8
185.09616	0.9
185.13129	1.1
187.11122	5.0
189.09081	7.0
196.08733	0.9
199.11247	0.8
201.12691	4.3
203.10568	5.2
205.04602	0.8
205.12131	1.0
211.11177	4.2
213.08920	0.7
214.10686	0.6
217.12320	0.9
219.13882	4.3
228.72656	0.6
229.12047	4.4
247.13223	25.7
249.03711	2.3
252.35747	0.6
264.05954	2.4
265.06708	9.5
265.11469	0.7
265.14267	3.4
345.00076	0.6
346.57898	0.7
367.09866	0.7
391.17682	2.6
409.18301	4.8
427.12012	100.0
427.18997	9.3
428.12317	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02547	1.0
53.07782	1.0
55.05415	6.0
55.64764	0.9
56.04955	2.5
57.03345	1.2
60.04438	1.1
62.70678	1.0
69.03310	6.8
69.06955	1.3
70.06506	29.4
71.04856	4.4
71.06792	1.1
72.08064	19.9
74.05965	1.8
77.41191	1.1
81.06911	1.1
83.05977	1.0
83.08517	4.2
83.08957	1.0
84.04412	10.9
84.08065	25.4
85.02816	10.5
85.08363	1.0
86.09621	12.6
93.06910	1.8
95.04885	1.4
95.08482	1.6
95.31205	0.9
96.04324	1.1
97.02758	5.3
98.97420	1.5
102.96806	1.1
105.57494	1.0
107.08472	1.1
109.06422	1.6
110.07085	11.5
112.08596	1.3
114.09052	1.4
119.08519	1.9
120.07985	4.5
121.06412	1.3
123.04333	2.1
127.03731	1.3
129.10199	10.5
133.09995	1.8
136.07466	4.2
139.03868	1.9
144.07977	2.1
145.02791	2.3
147.04311	1.4
150.07945	0.9
150.09074	11.7
154.08554	1.8
163.03842	1.6
169.07550	10.0
169.67323	1.1
177.05350	2.3
180.10046	2.4
185.04088	4.4
190.05865	1.2
198.11122	1.8
202.31798	1.2
203.76669	1.1
205.04530	2.4
216.12183	5.3
247.13020	2.0
249.03442	6.3
264.05746	5.3
265.06802	16.9
296.10922	1.1
343.16260	10.6
373.17148	1.6
391.18073	4.6
427.11493	100.0
428.11438	1.8
430.98746	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00251	1.4
53.03873	2.2
55.01808	2.7
55.05448	6.1
55.55577	1.1
57.03136	1.5
57.03378	26.3
57.68062	1.2
59.04914	5.9
59.06059	12.7
59.81809	1.2
59.84644	1.3
60.04461	1.1
61.02851	3.0
67.05418	5.8
67.88313	1.3
69.03349	100.0
70.06512	22.9
71.04901	7.3
72.08060	10.8
73.02840	2.0
75.04367	6.1
76.56203	1.3
79.05419	3.0
81.03344	15.5
81.06965	1.7
83.04899	6.3
84.04432	6.0
84.08070	21.0
85.02829	72.0
86.09612	7.6
87.03870	1.7
87.04397	41.0
91.05415	5.2
93.06973	2.6
95.04887	8.5
97.02824	65.8
98.03248	1.3
98.97501	1.8
99.04388	7.2
101.02340	2.6
103.03893	2.8
105.06982	5.2
107.04887	1.6
109.02841	3.1
109.06474	8.2
109.22867	1.3
110.07115	9.1
111.04406	5.7
115.03883	48.2
117.05394	2.8
119.08525	5.5
121.06438	2.2
121.14795	1.5
123.04426	2.3
124.70308	1.2
125.05971	1.7
125.09563	2.2
127.03867	17.1
129.10187	6.3
131.08498	2.1
131.09366	1.7
133.04922	40.6
135.07976	3.1
136.07529	2.1
137.05916	1.4
139.03781	2.1
141.05504	1.4
145.04938	11.5
145.10136	2.0
154.01840	1.6
157.04947	5.9
157.10187	2.9
161.04390	1.4
161.09567	6.2
165.05551	1.6
173.09584	1.5
175.06020	1.8
175.08876	1.5
187.11220	2.0
193.04842	2.3
203.10664	2.9
211.05984	2.6
229.06989	15.1
247.08043	7.2
247.13176	9.7
259.07932	2.3
265.06619	2.3
265.09134	7.2
265.14307	3.2
277.09186	2.5
427.12006	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	427.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00275	0.1
54.19049	0.1
55.01790	0.1
55.05452	1.1
55.75386	0.1
56.04961	0.4
57.03361	0.6
57.04482	0.4
57.97005	0.1
59.04919	0.1
59.14621	0.1
60.04451	0.2
61.02848	0.1
61.93015	0.1
64.62480	0.1
67.05413	0.2
68.03766	0.1
68.63186	0.1
69.03346	2.1
69.06992	0.7
70.06144	0.1
70.06510	3.7
70.06889	0.2
71.01240	0.1
71.04875	0.1
71.06829	0.1
72.08070	2.1
73.02821	0.1
74.05978	0.2
79.05389	0.6
81.03320	0.5
81.06992	0.7
83.04929	0.1
83.06023	0.2
84.04429	1.3
84.08070	3.4
84.47753	0.1
84.95969	0.1
85.02832	1.6
85.06443	0.1
85.08356	0.1
86.03159	0.1
86.09624	1.9
87.04390	0.9
88.03921	0.2
91.05388	0.5
93.06942	0.3
94.03983	1.6
95.04886	0.2
95.06065	0.1
95.08502	0.1
96.05520	0.2
97.02817	1.6
97.10116	0.7
98.97495	0.5
99.04329	0.2
102.05468	0.5
105.06968	0.6
107.08519	0.4
107.91487	0.1
108.04346	0.1
109.02814	0.1
109.06499	0.1
110.07114	1.5
111.04385	0.2
112.05013	0.2
112.08698	0.1
115.03910	1.0
115.08607	0.2
115.11163	0.2
116.98565	0.2
119.04937	0.2
119.08533	0.1
120.08054	0.6
121.05033	0.2
121.06477	0.2
123.06659	0.9
127.03868	0.2
129.10199	1.6
133.04955	0.8
134.99580	0.1
135.05383	0.2
136.07520	0.5
137.06023	0.1
143.08595	0.1
144.98004	0.1
145.04947	0.1
145.10123	0.1
148.06152	0.5
149.09627	0.1
150.07724	100.0
151.08099	1.1
157.04944	0.2
157.06201	0.1
158.99594	0.1
159.11560	0.1
161.09628	0.2
176.05653	0.1
177.00688	0.1
181.08560	0.2
201.12317	0.1
229.07199	0.1
229.12312	0.1
237.02696	0.2
237.06863	0.2
247.13324	0.2
282.12003	0.4
295.11444	11.5
388.42419	0.1
419.11728	0.2
427.19717	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	0.5
57.03378	0.4
67.05428	0.7
69.03339	2.7
69.06985	0.6
70.06504	6.8
72.08071	0.9
79.05360	0.5
81.06969	0.4
83.01034	0.4
84.04440	1.9
84.08058	3.1
85.02835	2.9
86.09631	2.7
91.05389	0.7
92.10815	0.8
93.06979	1.0
95.01022	0.7
95.04894	0.8
96.01811	0.5
97.02789	1.0
98.97476	0.5
102.05512	0.6
105.06974	3.0
107.08550	0.7
109.06465	1.8
110.07102	3.3
112.01305	0.6
113.02068	3.5
116.98628	0.5
119.08540	2.3
121.06449	1.0
123.07994	0.6
129.10222	0.6
131.08609	0.6
135.08000	0.6
136.07565	0.8
145.10161	0.8
147.11743	0.7
152.62227	0.4
156.07570	0.5
157.04779	0.7
157.10109	1.1
158.07330	0.6
159.04079	0.5
159.11630	0.5
160.53996	0.5
161.09612	0.8
175.07449	0.6
175.11168	0.6
185.04123	5.2
187.11104	0.9
190.06087	3.0
199.11186	0.6
201.03722	0.9
203.10622	0.9
247.13174	3.2
259.07950	1.0
264.05991	0.4
265.06778	1.0
265.10498	0.7
265.14349	2.4
265.85214	0.4
401.45428	0.5
409.18716	0.8
427.15781	100.0
428.16132	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1725
Annotation	Betamethasone
Peak:m/z	Relative Intensity
60.54246	2.3
75.09073	2.9
92.64125	2.7
156.44011	3.6
187.92921	2.9
322.87930	2.9
324.83429	2.8
349.16968	3.0
367.17703	10.5
398.71555	3.0
427.17181	100.0
427.26044	19.1
428.17398	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	427.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95217	1.2
55.05428	1.4
56.96491	2.1
58.98266	1.3
66.33353	1.5
67.05441	2.8
69.07005	2.0
82.99049	1.5
93.06918	1.6
116.98549	1.9
129.78738	1.6
147.11774	1.7
201.05280	14.6
213.08919	2.2
216.07539	100.0
217.08237	7.9
394.14517	1.8
409.18903	2.4
427.17197	99.1
428.17545	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37162	0.6
55.01798	3.8
57.03378	7.2
59.04919	0.9
61.02608	0.6
61.02854	10.4
69.03002	1.2
69.03343	19.6
70.28156	0.8
71.04884	2.9
73.02825	3.6
75.78345	0.8
81.03339	5.9
84.08054	0.9
85.02823	100.0
87.04368	1.9
87.52202	0.7
91.03856	5.3
96.54963	0.8
97.02225	1.3
97.02822	25.1
99.04373	4.3
101.02288	2.9
102.03091	0.7
103.05386	1.9
109.02826	6.3
115.03903	0.8
120.08052	47.8
127.03874	27.0
131.04886	1.1
145.03870	1.3
145.04936	29.5
152.19972	0.8
163.05974	14.7
166.08614	10.0
179.24522	0.9
231.36996	0.7
248.11249	6.0
307.26059	0.8
325.11053	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	1.4
54.53074	0.5
55.01584	0.6
55.01811	10.4
55.14986	0.6
57.03376	11.9
59.04932	0.7
59.19888	0.5
61.02614	0.6
61.02861	7.7
69.03349	42.3
71.01259	1.0
71.04895	3.8
73.02834	7.9
74.70390	0.6
81.03309	4.3
85.02826	100.0
85.72787	0.7
86.03162	0.8
87.04388	1.6
91.03869	4.0
92.10550	2.8
92.63994	0.7
97.02818	35.3
99.04382	10.0
101.02314	5.9
103.03867	0.9
109.02853	7.7
110.66896	0.7
115.03848	3.3
120.08032	0.8
125.86508	0.7
127.03874	49.7
132.72089	0.6
140.07021	1.1
145.04936	31.0
152.07121	0.7
163.05995	10.9
164.27002	0.6
165.70476	0.6
170.08066	0.7
180.08640	3.8
194.08086	0.8
212.09047	0.7
248.11226	16.0
265.13907	1.4
284.64828	0.7
316.34363	0.7
321.92783	0.8
339.12125	0.7
410.16208	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	427.1937
Annotation	(+)-Cyanocycline A
Peak:m/z	Relative Intensity
51.21976	0.5
52.35792	0.6
54.79972	0.6
55.01817	0.7
55.05441	3.2
56.04968	7.5
56.96496	0.8
57.07014	0.7
60.04455	1.1
61.52454	0.6
67.05439	2.8
69.03342	4.2
69.06987	3.2
70.02845	0.7
70.06504	41.2
71.04900	1.3
71.06838	1.1
72.08070	12.2
74.05984	5.4
74.09633	1.2
79.05395	0.9
81.03332	0.8
81.06976	3.1
83.06020	3.6
84.04424	17.4
84.05749	0.7
84.08059	42.6
85.02821	3.2
85.08382	1.7
86.09618	14.0
87.04410	0.8
87.05521	1.1
88.03886	1.5
91.05414	5.1
93.04487	1.1
93.06962	3.1
94.06506	0.7
95.04889	1.7
95.06013	3.4
95.08546	3.5
97.02824	3.2
97.06388	0.7
101.10726	1.0
102.05467	3.4
104.05284	0.8
105.06976	3.5
107.08518	1.5
109.06489	0.8
109.10139	1.2
110.07110	18.7
111.07435	0.9
111.09119	0.8
112.08688	1.3
115.08646	1.2
116.07037	1.2
119.04879	1.5
119.08511	3.6
120.08051	4.0
121.06498	1.0
121.08401	0.8
122.05994	2.7
123.04408	0.9
123.08006	0.7
124.07541	1.1
129.10175	19.7
130.04974	0.9
130.08650	0.9
131.08450	0.7
133.02846	1.1
133.10117	2.7
135.11687	0.7
136.07524	9.2
137.05980	4.5
138.09079	1.4
139.08662	1.0
147.07889	0.7
156.07683	3.1
161.09572	2.6
162.38914	0.7
163.14804	0.7
173.09503	0.9
175.14882	0.9
193.04907	10.1
203.05240	3.7
218.65750	0.8
240.13397	0.9
247.13121	8.7
257.29932	0.8
259.32822	0.8
265.06821	1.1
273.29501	0.7
353.15634	1.6
409.18320	1.1
427.19327	100.0
428.19534	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	427.196
Annotation	Naucleidinal
Peak:m/z	Relative Intensity
51.19559	1.7
53.03881	9.0
55.01817	2.2
55.05442	15.9
56.04943	2.0
57.03362	5.0
60.04461	1.6
61.02840	2.9
65.03871	2.8
67.05419	26.5
69.03346	70.2
69.06975	2.9
70.06501	10.1
71.04905	8.3
72.08073	8.3
79.05411	14.8
81.03359	14.9
81.06973	24.9
83.04886	15.5
84.04424	3.0
84.08057	8.4
85.02830	31.3
87.04408	2.2
91.05395	37.2
92.10413	4.8
93.06971	54.0
95.04893	59.0
95.08540	14.7
97.02816	42.1
97.06455	10.1
99.04382	9.2
99.08021	4.1
105.06972	73.5
106.97146	1.9
107.04897	3.8
107.08522	16.3
109.02825	3.2
109.06463	48.2
109.10088	4.5
110.07105	4.1
111.04388	32.8
111.08045	3.7
117.06957	12.5
119.04882	5.1
119.08527	50.1
121.02825	3.1
121.06443	36.3
121.10094	5.0
123.04367	10.9
123.08015	16.4
125.09615	8.0
126.52845	2.3
127.03868	10.2
128.06169	12.5
129.06941	13.3
129.10213	2.5
130.07770	3.8
131.08531	23.9
133.06462	10.2
133.10097	28.3
135.04323	2.9
135.08006	13.7
137.05949	34.5
139.03897	2.4
139.07506	2.7
141.06993	4.4
142.07741	15.9
143.08537	22.8
144.09279	3.4
145.04933	2.5
145.06441	14.9
145.10088	44.2
146.07237	4.9
147.04446	2.8
147.08028	21.4
147.11633	11.3
148.08823	3.2
149.05930	3.2
149.09561	2.6
151.07532	4.9
153.06839	3.0
155.08504	3.6
156.09285	3.9
157.10054	22.7
158.07227	12.0
159.08012	25.5
159.11656	17.2
160.08812	2.9
161.05922	8.2
161.09564	61.7
163.07504	3.4
165.09030	5.0
168.09271	3.6
171.07951	3.8
171.11601	2.3
172.08801	14.0
173.09535	16.2
173.13188	16.1
174.06668	3.4
175.07518	14.0
175.11131	24.2
177.09070	4.3
177.12691	2.3
183.11604	5.0
185.09599	9.1
185.13213	3.1
187.07506	2.4
187.11119	16.9
189.09113	24.1
193.10078	2.6
196.08723	3.3
201.12715	13.9
203.10640	26.8
205.12335	3.4
207.10178	2.8
211.11154	11.3
217.12198	10.7
219.13791	9.1
221.07938	2.6
229.12151	19.6
247.13216	100.0
265.14261	14.4
285.58221	2.3
304.09119	2.3
333.13257	7.9
409.18491	24.7
427.11905	7.7
427.19431	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.196
Annotation	Naucleidinal
Peak:m/z	Relative Intensity
50.15039	2.8
53.03875	4.7
54.81568	3.8
55.01794	4.4
55.05437	8.9
57.03361	18.1
61.02843	5.9
65.44994	3.2
67.05424	33.4
69.03344	88.6
70.06506	30.4
71.04874	7.9
72.08057	8.5
74.17697	3.4
79.05386	15.7
81.03334	9.0
81.06963	29.0
83.04894	22.4
84.04436	7.5
84.08054	15.7
85.02824	40.7
86.09636	6.5
87.04379	17.9
91.05400	37.2
93.06975	48.4
95.04890	62.1
95.08504	5.1
95.20343	3.6
97.02818	51.5
97.06445	6.2
98.97504	4.2
99.08009	5.7
105.06976	66.4
107.08530	19.9
108.05718	3.2
109.02888	4.1
109.06454	58.9
111.04379	31.2
116.98568	7.1
117.06932	7.5
119.04879	4.6
119.08510	45.9
120.08063	3.5
121.06414	26.5
121.10111	4.7
123.04397	7.6
123.07999	15.3
125.09553	4.4
127.03858	7.0
128.06161	5.9
128.98538	4.7
129.06950	5.8
131.08527	27.8
132.08107	3.6
133.04921	5.1
133.06447	6.8
133.10101	31.1
135.08034	17.0
137.05962	41.1
142.07735	15.7
143.08536	21.4
144.09271	5.2
145.04985	4.3
145.06416	7.8
145.10019	29.9
146.07278	4.8
147.04372	6.3
147.07994	27.6
147.11681	5.5
149.05977	4.3
149.09592	3.8
151.07524	5.4
155.08533	4.2
156.09268	4.0
157.10092	30.7
158.07245	6.0
159.08022	22.3
159.11670	15.0
160.08809	4.0
161.05925	17.7
161.09567	63.0
163.07468	6.5
165.05557	3.5
165.09058	4.4
169.10001	4.1
171.08060	6.3
172.08881	4.2
173.09601	15.6
173.13206	14.8
174.06731	4.5
175.07523	16.1
175.11130	18.3
179.07004	3.9
183.11566	4.3
185.09518	5.0
187.11073	19.3
189.09053	21.9
189.12743	4.6
196.08891	5.0
199.11162	4.6
201.12645	16.7
203.10608	20.3
210.17615	3.9
217.12238	4.5
219.13637	8.1
229.12157	21.2
247.04836	4.8
247.13194	100.0
265.14261	16.2
333.12985	4.3
378.00787	3.9
409.18378	25.0
427.11469	8.4
427.19595	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	427.1959
Annotation	Naucleidinal
Peak:m/z	Relative Intensity
53.03878	5.3
55.01794	2.7
55.05221	1.7
55.05450	24.2
56.04963	8.2
56.06059	1.3
56.96513	1.2
57.03362	2.9
60.49419	1.1
61.02847	2.1
65.03851	2.9
67.05424	22.8
69.03344	37.1
69.06986	5.3
70.06136	2.3
70.06507	54.1
71.04900	8.7
72.08067	17.0
73.08367	1.4
74.05984	5.3
79.05417	14.4
81.03315	9.1
81.06967	21.4
83.04913	12.3
83.05331	1.6
83.05994	3.2
83.08514	2.4
84.04427	25.0
84.08063	59.1
85.02826	20.1
85.06502	1.3
85.08392	2.2
86.09631	19.6
87.04375	1.9
87.05533	1.3
88.03914	5.7
91.05396	28.5
93.04427	1.6
93.06969	55.4
94.07330	1.7
95.04890	42.3
95.05965	2.0
95.08524	13.0
97.02822	11.5
97.06472	7.2
97.10087	8.7
98.61396	1.4
98.97501	1.6
99.04382	5.4
102.05483	6.5
103.05392	6.4
105.06967	68.3
107.04935	5.4
107.08550	15.4
109.02807	2.8
109.06456	45.8
109.10143	5.2
110.07108	27.8
111.04394	22.0
111.08017	7.5
111.09074	1.3
112.08677	1.6
115.03917	1.8
115.05371	1.4
115.08698	1.6
115.11163	2.4
116.07037	1.5
116.98505	2.2
117.06953	10.5
119.04917	2.9
119.08531	44.8
120.08057	34.4
120.08884	1.5
121.06460	32.6
121.10075	6.2
122.05962	2.7
123.08002	12.3
125.09679	1.6
127.03889	8.0
128.06155	8.8
129.06946	8.7
129.10191	31.5
130.06500	1.5
130.07710	3.4
131.04851	3.0
131.08525	27.0
133.06473	10.3
133.10104	31.8
135.08017	13.8
136.07582	11.7
137.05962	10.3
137.09604	2.2
139.07510	2.4
141.06953	5.3
142.07747	14.9
143.08559	24.5
144.09308	3.3
145.04953	1.5
145.06427	11.4
145.10101	37.3
146.07210	5.8
147.08026	20.6
147.11679	14.1
149.05945	3.1
149.09534	2.1
151.07463	6.1
152.14330	2.2
154.07640	2.0
155.08505	8.7
156.07617	1.5
156.09308	2.6
157.10074	23.8
158.07175	12.5
159.07988	19.7
159.11668	23.6
160.08794	6.2
161.05998	2.8
161.09573	62.6
163.07475	6.7
168.09264	6.1
169.10045	2.0
171.08005	7.9
171.11722	2.0
172.08737	9.6
173.05943	1.7
173.09607	15.4
173.13196	17.8
174.06787	2.5
175.07510	11.0
175.11137	23.6
175.14742	2.8
177.09018	5.8
183.11635	11.1
185.09596	6.2
185.13084	3.2
187.11066	14.0
189.09109	20.8
193.10091	1.6
196.08780	8.0
199.11093	2.6
201.12671	16.9
203.10623	20.1
205.12187	5.8
211.11063	12.6
217.12227	2.8
219.13638	11.7
229.12132	20.4
247.13211	100.0
248.13556	2.3
252.47197	1.6
265.14999	11.7
343.04147	1.4
391.17462	8.0
409.18387	20.9
427.19473	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96498	22.3
59.80054	1.8
60.01585	1.8
60.31751	1.8
67.05415	2.6
79.05415	3.1
81.03315	1.8
81.06976	11.3
93.07005	2.2
98.97530	9.8
100.72694	2.0
105.06936	2.3
109.10110	2.8
116.98586	13.1
134.99657	10.3
150.06219	2.1
158.47903	2.0
159.52179	2.0
177.00671	10.7
213.07961	4.5
217.07495	8.2
229.07465	9.5
231.06898	2.5
231.08896	15.0
239.09392	3.0
247.08473	12.0
251.09471	3.2
259.12018	2.4
269.10461	21.9
287.11536	15.6
331.15820	7.6
349.16843	14.5
367.17862	54.0
368.18161	3.4
385.18893	13.3
386.19348	2.5
427.20441	3.4
427.26520	100.0
428.26730	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62646	3.0
63.02323	3.0
63.85443	3.3
67.05450	5.5
69.06985	14.9
71.21097	3.3
75.66822	3.7
79.05440	5.2
81.06996	7.0
86.92103	3.5
91.05360	5.3
93.06960	8.9
95.08526	9.3
97.19363	3.3
105.06952	6.0
107.08537	8.3
109.10103	16.4
111.33672	3.8
119.08514	6.3
133.10081	7.6
143.08522	3.8
149.13191	3.9
151.07506	21.0
172.14304	4.2
173.13190	4.9
251.65125	4.5
262.14218	3.7
268.76376	4.5
317.35492	3.9
345.23648	5.7
387.76987	3.9
409.34866	4.4
427.24750	5.6
427.30252	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01809	11.1
55.05451	53.7
56.96491	24.8
57.03371	5.9
57.07008	46.3
62.48402	5.0
63.40847	6.4
67.05424	89.3
67.83595	6.4
69.03343	15.5
69.06991	84.2
71.04881	7.0
71.08539	6.8
79.05393	44.9
80.00441	6.3
81.03328	31.4
81.06973	100.0
83.08522	39.6
85.02814	9.1
85.54819	7.4
91.05394	38.4
93.06975	63.1
95.04897	8.8
95.08538	93.3
97.02811	52.8
97.10080	31.7
99.04390	27.8
104.99216	9.0
105.06954	24.9
107.08501	35.1
109.10105	34.5
119.08543	16.1
121.10139	51.0
121.10831	6.4
123.11649	26.0
127.03896	10.8
131.08578	10.3
133.10081	11.6
135.11635	15.2
145.10085	9.8
159.11740	8.4
221.81931	7.1
265.25153	7.7
311.18958	47.0
373.30975	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67223	5.5
54.81445	7.7
55.05452	64.4
57.03375	8.9
57.07009	25.8
57.39211	7.5
58.10830	7.0
67.05424	92.8
69.03318	12.2
69.06987	100.0
71.08545	10.3
79.05398	39.3
81.06969	84.3
83.08543	60.5
92.10287	16.8
93.06959	30.0
95.08525	82.9
97.02814	66.7
97.10107	35.2
99.04369	14.1
104.99213	16.8
107.08559	22.3
109.10087	49.9
111.11647	15.7
115.58465	6.2
121.10061	40.9
127.03842	7.6
135.11646	13.8
149.13173	8.4
175.11145	11.1
177.32219	7.1
265.25192	34.8
361.27530	9.6
433.71906	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	427.3569
Annotation	HMDB12167
Peak:m/z	Relative Intensity
55.05464	5.9
57.07016	6.5
62.15887	5.4
67.05424	7.6
69.06992	34.4
79.05388	7.3
81.06969	33.1
83.08547	9.4
93.06983	24.5
95.08549	36.8
97.61627	6.0
105.06982	23.5
107.08546	20.6
109.10094	20.9
117.10466	4.9
119.08556	26.0
119.60296	4.7
121.10114	12.5
123.42323	5.4
131.08521	6.7
133.10121	11.3
135.11674	9.3
145.10159	7.1
161.09518	6.5
177.16415	9.3
195.00574	5.9
205.15863	100.0
215.82169	5.1
376.28952	6.3
379.26611	5.7
409.34573	11.1
415.88434	5.3
427.35611	84.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59642	3.1
54.81699	2.7
55.05429	13.1
57.07002	6.5
63.36357	2.5
67.05423	4.9
67.06750	2.9
69.06986	25.3
71.08527	5.8
79.05402	4.9
81.06969	25.5
83.08510	5.0
85.10078	4.5
91.05405	4.0
93.06963	13.6
95.04848	3.8
95.08518	19.3
102.59020	2.5
105.06903	3.6
107.08510	13.1
109.10096	12.1
113.47523	2.8
119.08532	6.4
121.05668	4.5
121.06467	100.0
121.10069	3.8
133.06470	4.2
135.08023	4.0
135.11633	15.0
145.10147	3.5
147.08029	31.6
149.13275	4.0
159.07970	4.8
161.09547	5.7
173.09608	22.1
175.11124	5.0
218.56372	3.1
269.19174	3.6
275.27420	4.3
409.34625	13.7
428.39572	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3568
Annotation	Oxidosenexone
Peak:m/z	Relative Intensity
55.05437	5.8
57.07008	1.7
61.30396	0.9
63.95225	0.8
64.18764	0.7
64.19678	0.7
66.42107	0.8
66.77440	0.7
67.05418	4.7
69.06987	32.3
69.07344	1.6
71.07330	0.7
72.04417	0.9
79.05407	5.6
81.06958	8.0
83.08521	1.9
91.05426	6.4
93.06976	16.0
95.04916	1.2
95.08533	10.3
97.10109	1.7
105.06970	8.8
107.08532	16.7
109.06477	1.6
109.10101	7.8
111.08047	1.6
112.84749	0.8
117.07001	1.3
119.08553	8.3
121.06454	42.9
121.10065	12.1
123.08038	5.7
123.11664	2.1
131.08475	2.8
133.10120	4.2
135.08005	11.3
135.11691	1.6
143.08545	0.8
145.10136	4.0
147.07967	2.0
147.11667	1.7
149.09587	15.9
149.13200	1.5
151.11240	1.2
159.08054	4.4
159.11688	4.6
161.09587	1.5
161.13257	1.5
163.11154	1.2
163.14819	1.0
169.10086	1.1
171.11627	1.3
173.09583	7.0
173.13193	1.2
177.12801	0.9
179.70595	0.8
183.11731	1.0
187.11101	1.4
187.14848	1.8
201.16405	1.9
214.13483	3.4
215.14357	1.3
229.15811	14.4
247.16747	6.2
257.19067	1.9
275.20139	1.6
427.35614	100.0
428.35883	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	427.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01524	1.0
55.05440	2.8
57.03364	1.7
57.07008	2.7
59.06060	1.1
65.38116	1.0
67.05420	5.0
67.47642	1.0
69.06982	10.2
74.09617	1.4
74.14915	1.0
76.56462	1.1
79.05405	1.9
81.06966	11.7
83.08547	1.9
91.05405	2.0
93.06963	10.4
95.08526	18.3
105.06977	13.9
107.08529	14.9
109.06498	1.3
109.10108	11.4
117.06918	1.5
119.08524	10.2
121.10092	12.0
123.08020	1.7
123.11640	2.3
131.08505	13.0
133.10120	4.7
135.08018	2.2
135.11676	8.0
137.09619	1.4
137.13251	2.4
138.50668	1.2
145.10120	10.2
147.11679	4.3
149.09616	5.0
149.13263	2.7
159.11671	1.8
161.13268	4.8
163.14790	1.5
175.14754	1.4
177.16356	8.1
187.14783	10.2
191.14330	1.7
201.16396	1.9
205.15831	100.0
206.16177	4.9
219.17545	1.5
277.23532	1.2
427.24802	4.9
427.35645	59.2
428.35910	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	427.3931
Annotation	(2E,6E,12E,16E)-3,7,13,17,21-Pentamethyl-10-(1-methylethenyl)-2,6,12,16,20-docosapentaen-1-ol
Peak:m/z	Relative Intensity
55.05429	18.4
57.06994	8.1
65.99531	3.1
67.05418	32.7
69.06986	54.3
76.74264	3.7
79.05377	15.7
81.06976	100.0
83.08536	8.0
91.05415	5.1
93.06966	31.3
95.08525	61.4
97.10081	4.4
104.25210	3.3
105.06953	22.6
107.08535	28.9
109.10097	44.3
119.08514	16.9
121.10076	20.7
123.02006	3.6
123.11634	26.6
133.10089	7.4
135.11650	14.2
137.13229	7.5
147.11641	8.0
149.13199	3.6
175.14639	5.7
177.16353	5.4
182.78391	3.5
235.20457	4.1
298.03821	4.3
409.38190	3.8
427.39044	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	428.1815
Annotation	Asp Phe Phe
Peak:m/z	Relative Intensity
51.36894	0.3
51.83541	0.3
54.27531	0.3
54.81575	0.4
54.91835	0.3
55.05438	0.5
56.04981	0.4
56.96474	0.3
57.03375	0.7
60.04443	0.5
61.02846	0.4
67.05427	0.5
67.13877	0.3
69.03330	1.8
69.06969	1.4
69.20599	0.3
70.02866	1.4
70.06506	6.1
71.04928	0.4
72.08061	1.3
73.02828	0.4
79.05446	0.4
81.06978	0.5
84.04425	0.8
84.08068	3.7
85.02817	1.8
86.09637	6.7
88.03918	6.1
91.05409	9.2
93.06957	1.5
95.04864	0.4
95.08556	0.4
96.08910	0.4
98.02348	3.5
103.05392	4.0
105.06998	0.6
110.07111	4.7
119.07276	1.7
120.08058	100.0
121.08390	0.5
125.26234	0.3
129.10214	1.5
130.06494	25.1
131.04861	0.8
131.53395	0.3
136.07581	0.5
137.05971	0.7
144.08058	6.7
145.10008	0.3
147.04359	0.4
156.13782	0.5
158.06007	0.4
166.08592	4.7
172.07555	6.5
173.12840	1.5
175.08647	14.0
176.07004	0.8
190.08574	6.8
200.07030	0.7
203.04581	0.4
217.09726	3.5
218.08066	1.7
235.10725	33.1
236.10823	0.4
252.42894	0.4
263.10159	6.0
400.60806	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.19
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	1.6
53.64828	1.0
55.05434	1.3
56.04981	1.0
57.03364	2.5
67.05423	1.6
69.03339	7.4
70.06499	10.2
71.04885	4.2
72.08067	5.7
74.02339	2.1
79.05387	1.9
81.03327	2.2
81.06964	4.7
82.99119	1.0
84.04410	4.7
84.08047	4.9
85.02835	13.5
86.09612	6.6
91.05402	12.1
92.10630	5.6
93.03307	1.8
93.06963	2.5
95.04884	4.9
97.02821	7.0
97.06474	1.2
98.97557	1.6
99.08023	6.0
103.05371	2.5
105.06972	7.5
107.04910	1.6
109.06471	2.1
110.07108	5.8
111.04418	10.0
115.05411	1.3
116.07058	1.4
116.98498	1.2
117.09083	2.4
119.04887	19.1
119.08539	2.0
120.08043	1.4
121.06445	4.8
122.03580	6.2
123.04379	1.1
125.05934	6.1
125.09576	2.1
127.03876	1.5
129.10219	2.3
130.04056	2.1
130.04951	1.9
131.04897	4.9
133.02776	1.9
133.06429	4.9
134.05910	1.2
135.04393	1.3
136.07532	1.3
137.05946	100.0
143.08351	1.2
145.04948	1.7
145.10072	1.2
147.04396	23.9
149.05962	8.5
150.06654	2.4
151.07494	2.1
153.05441	5.4
161.05939	26.7
161.09636	1.6
162.06697	7.5
162.09947	1.5
165.73943	1.2
172.05118	4.7
175.07527	6.9
177.00615	1.2
177.05490	1.7
179.06973	7.2
181.06439	1.1
191.06995	2.3
203.06984	16.9
214.33826	1.1
221.06110	1.8
221.08020	12.0
225.08897	1.3
233.08092	2.5
235.07628	1.6
247.13129	2.5
248.13559	2.2
253.08638	2.0
285.11145	1.9
297.11020	2.4
302.65610	1.7
309.11145	2.5
322.18420	1.3
325.10944	1.5
343.11688	4.4
345.13315	7.2
426.16571	1.4
427.20175	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40462	1.1
51.05156	1.2
55.05450	10.1
55.57989	1.3
57.03372	21.4
57.06742	3.1
57.07012	85.6
67.05422	18.6
69.06995	14.7
71.08545	51.7
71.37487	1.4
81.06966	20.1
83.08535	17.5
85.10114	24.5
89.05926	1.6
92.10118	1.4
95.08535	32.7
97.10098	6.3
98.98396	100.0
109.10102	15.9
116.99419	3.3
118.80036	1.4
123.11657	7.5
137.13216	1.9
149.01218	1.8
155.01007	83.3
173.02078	5.9
239.23665	12.7
308.62210	1.6
313.27332	82.6
347.17557	1.8
393.23889	35.5
422.72449	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82772	0.4
63.16206	0.4
67.08856	0.5
83.08134	0.4
88.04114	0.5
105.06948	0.6
122.03579	3.0
122.51818	0.5
123.05488	2.3
137.05945	39.2
149.02321	8.6
175.03864	0.6
181.03477	0.8
193.04982	5.3
195.05008	2.1
202.68173	0.5
219.05026	1.2
222.03735	1.2
237.05936	9.1
248.47195	0.5
259.09521	1.9
294.46893	0.5
341.06335	0.9
385.09238	1.1
388.19553	4.4
406.20514	4.4
428.33340	100.0
429.11752	3.9
429.33459	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03895	0.3
56.96503	0.4
59.07957	0.3
65.03857	4.0
75.83920	0.4
95.04891	0.8
99.26356	0.3
103.01759	0.4
105.03297	0.6
108.08880	0.4
121.02802	2.0
131.04909	0.9
137.05936	1.9
138.48213	0.4
139.03883	3.8
147.04381	0.7
149.02318	100.0
149.03383	5.0
150.02621	2.3
153.06956	0.5
175.03915	0.8
177.05371	0.5
180.04088	0.4
191.07092	0.4
193.04926	70.9
194.05283	2.4
219.06471	0.9
225.05296	1.4
237.07536	11.2
255.08542	0.6
269.04462	1.4
281.10193	1.9
297.03885	3.4
313.07019	3.4
341.06433	9.1
342.06934	0.6
359.07431	3.7
379.65936	0.4
385.09067	17.1
386.09528	0.5
403.10211	2.5
428.33374	18.5
428.39325	0.7
429.11707	28.3
429.33688	12.8
430.12042	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91571	0.3
54.81791	0.4
55.01802	0.6
55.05434	1.4
56.04963	0.7
56.96459	0.4
57.03360	1.9
60.04448	0.7
60.11378	0.3
61.01073	0.3
61.02834	0.6
69.03350	3.0
69.06976	1.4
70.06135	0.5
70.06502	10.9
71.04890	0.5
72.08067	6.5
73.15038	0.3
74.05981	1.6
79.58321	0.3
81.03338	0.7
83.06008	0.5
84.04427	4.1
84.07684	0.3
84.08074	6.0
85.02818	7.7
86.09618	6.6
88.03893	0.6
91.05379	0.6
93.93253	0.4
95.06043	0.4
97.02840	2.5
98.97498	0.7
102.05459	1.9
109.02822	0.4
110.07097	4.3
112.08659	0.4
116.07023	0.8
116.98569	1.3
120.08046	0.7
121.06447	0.4
122.03606	0.6
126.05479	0.5
127.03822	0.5
129.10194	2.8
133.02809	20.6
134.99596	0.5
136.07562	0.7
137.05940	5.3
139.03891	1.4
147.04347	0.4
147.07855	0.4
149.05930	2.1
150.03087	0.8
158.99565	0.4
161.02353	0.4
165.05434	3.0
177.00716	0.4
177.05457	0.4
178.02554	10.6
181.04750	0.6
193.04915	100.0
194.05212	2.7
198.81129	0.3
203.05280	1.9
237.02771	0.4
267.08563	37.7
268.08987	0.7
297.11288	0.4
338.90793	0.3
385.18271	0.4
404.97028	0.4
411.16309	0.4
429.16864	16.9
429.20999	18.3
430.17346	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03856	1.3
55.05444	2.2
56.96505	1.8
57.03353	2.6
59.04943	1.5
60.04445	1.5
64.86411	1.3
69.03342	7.7
69.06953	1.8
70.06508	37.1
72.08057	7.9
79.42532	1.3
81.06966	2.0
84.08047	9.7
85.02826	10.4
86.09621	46.7
87.04375	2.3
88.03889	1.9
91.05402	2.2
97.02805	8.2
98.97506	2.5
99.04384	1.5
100.61134	1.5
105.06970	1.4
108.28227	1.8
110.07056	1.7
115.08637	1.7
116.07029	9.7
116.98557	2.6
119.08493	1.8
120.08026	10.0
121.06439	1.8
126.34621	1.5
127.03860	1.8
129.10226	1.9
137.05952	3.2
143.11765	10.0
147.04321	1.7
161.05911	1.5
171.11311	2.1
201.12340	3.0
217.04640	6.5
232.07030	73.5
233.07610	2.6
236.83566	1.4
272.06265	1.6
272.45538	1.4
352.63974	1.4
384.11441	7.1
384.61801	1.6
429.14990	100.0
429.20718	18.0
429.27014	23.0
430.15668	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37889	2.2
53.03876	3.0
55.05436	12.5
56.04964	11.6
56.96487	2.9
57.03363	2.8
57.22955	1.9
60.04448	3.0
61.02844	2.6
65.03876	2.8
67.05428	17.7
69.03071	2.0
69.03353	33.8
69.06982	9.4
70.06511	100.0
71.04884	3.5
71.06857	2.4
72.08070	40.3
74.05975	4.8
74.09286	2.2
79.05389	12.0
81.06976	20.8
83.04881	6.1
83.05984	4.1
84.04435	30.3
84.08066	64.1
85.02823	17.7
86.09626	38.9
91.05416	28.1
93.06960	53.9
95.04905	45.9
95.08533	5.2
97.02823	12.1
97.06433	3.3
98.97505	5.0
101.07078	3.8
102.05442	5.5
105.06955	43.1
107.08509	14.2
109.06463	36.3
109.10056	5.8
110.07105	20.6
111.04391	22.9
111.07997	4.2
112.08682	2.9
114.53016	2.3
116.06982	4.0
116.98576	4.4
117.02905	2.2
117.06986	3.1
119.08547	37.9
120.08051	14.8
121.06475	19.8
123.04355	8.9
123.07990	11.4
128.06160	4.5
129.10204	38.8
130.04942	3.8
130.07707	2.5
131.08575	19.2
133.10094	22.8
134.99600	4.1
135.08029	12.0
136.07603	4.9
137.05930	15.2
139.03886	2.6
139.07544	2.6
141.06888	4.1
142.07732	5.9
143.08527	24.6
144.09322	2.9
145.06433	4.3
145.10103	38.8
146.07239	4.1
147.07997	12.0
147.11734	3.9
149.05923	2.9
149.09515	4.2
151.07538	4.3
155.08333	3.7
157.10081	15.6
158.07236	10.6
159.08005	17.7
159.11661	18.6
161.01253	2.7
161.09566	64.1
163.07545	4.8
167.62192	2.6
172.08795	5.0
173.09402	10.5
173.13168	5.6
175.07497	11.6
175.11200	9.3
183.11615	10.7
185.09569	3.7
185.13190	4.6
187.11089	14.5
189.09129	18.7
201.12672	19.2
203.10492	3.7
203.14250	4.7
205.12187	3.1
211.11121	14.5
211.68477	2.9
217.12086	4.1
219.13765	16.2
229.12196	16.6
247.13228	89.4
248.13530	3.9
249.07509	4.0
265.14270	15.9
411.19565	4.8
429.16711	13.6
429.21960	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	429.215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	6.0
56.96498	29.5
70.19784	3.5
81.06953	3.3
88.09765	2.7
149.02304	20.8
155.03706	3.6
157.93991	3.1
193.04962	20.7
199.06480	3.8
213.07938	6.6
217.07323	12.9
225.07925	3.0
229.07381	17.1
231.09006	18.9
237.07558	13.2
239.05943	3.4
239.09595	3.6
241.10985	4.0
247.08452	16.7
251.09392	4.2
257.10672	4.8
259.12039	13.2
268.67032	3.2
269.10544	37.6
287.11673	25.1
333.17303	13.1
351.18219	27.1
369.19339	100.0
385.09268	4.5
387.20370	28.4
410.22162	3.5
429.11731	16.1
445.84671	3.2
447.16202	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90105	0.9
57.07002	1.9
58.26023	1.0
61.78080	0.9
66.83147	0.9
67.05391	1.1
68.33506	1.0
68.80746	1.0
69.06998	1.2
81.06971	2.0
87.64548	0.9
91.05386	3.9
91.76234	1.0
92.10142	1.2
93.32795	1.1
95.08517	1.6
96.64528	1.0
101.55184	1.0
101.93681	1.1
105.06961	4.0
107.08519	1.5
117.06946	1.5
119.08540	19.6
121.06453	1.4
133.10095	12.6
135.07997	8.1
136.05197	1.9
137.05968	1.9
137.09593	23.5
149.09572	4.2
149.13269	7.8
151.11165	1.9
161.09575	14.9
165.09070	4.3
177.12701	100.0
178.13107	1.8
179.10631	7.6
180.11473	1.4
195.65839	1.1
233.69411	1.0
239.10770	1.3
277.97125	1.1
333.15424	1.3
365.20023	1.5
429.26044	2.3
429.31555	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	429.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03898	2.2
55.05449	18.1
57.07000	10.2
57.38834	1.4
61.35612	1.5
61.84802	1.4
66.68413	1.6
67.05427	25.4
69.03349	2.0
69.06989	25.1
72.32188	1.7
79.05409	22.0
81.06978	100.0
83.08536	8.7
91.05389	10.7
93.06970	41.2
95.08538	58.7
97.10092	2.5
104.19516	1.8
105.06976	13.3
107.08541	35.8
109.06425	2.7
109.10109	33.5
116.61221	1.8
117.06941	1.8
119.08521	9.9
121.10089	30.4
123.08037	2.7
123.11671	18.9
125.05968	18.4
131.08508	3.5
133.10101	7.5
135.11650	17.6
137.09546	2.5
137.13229	10.6
145.10106	3.3
147.11670	6.9
149.09601	2.8
149.13243	16.6
151.14766	1.8
153.05426	10.8
163.11160	3.3
163.14758	6.7
175.11198	2.2
177.09033	3.3
191.10701	2.4
203.10628	2.3
205.19482	2.6
206.90607	1.9
275.38763	1.7
305.17184	2.1
326.23602	2.2
429.31079	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	429.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65616	0.3
63.23791	0.3
67.05429	0.3
67.62607	0.3
72.99813	0.3
75.17724	0.3
76.21796	0.3
83.08537	0.4
85.58391	0.3
91.45812	0.3
163.16716	0.4
187.84390	0.3
423.53247	0.4
429.31793	100.0
430.32108	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	429.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03418	6.6
55.49839	6.5
57.06974	7.4
63.10633	8.0
69.06964	11.6
77.64344	8.1
78.69122	7.8
79.05393	8.5
81.06963	13.5
91.54849	7.2
95.08490	8.1
97.06459	65.3
100.45062	8.2
107.08530	11.6
109.06484	95.1
123.07996	9.8
210.64751	9.4
227.67668	7.9
308.51413	8.9
313.55209	9.9
411.36060	11.8
429.31567	100.0
429.37134	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3723
Annotation	HMDB12168
Peak:m/z	Relative Intensity
55.05431	9.6
56.75909	4.0
57.06995	8.8
59.85229	4.1
60.97534	4.1
64.33281	4.9
67.05419	7.8
69.06961	33.4
69.07291	5.2
71.08514	7.7
73.91403	5.1
79.05388	6.2
81.06955	42.1
83.08530	6.9
91.05383	4.7
93.06957	21.9
95.08514	37.8
95.13907	5.4
97.10127	6.9
102.33930	5.1
105.06947	10.1
107.08527	7.3
109.10121	8.2
119.08501	12.3
121.10006	7.0
123.11590	7.0
135.11653	6.8
147.11604	7.1
155.89522	5.4
157.10075	10.3
159.11653	8.4
175.11076	11.6
266.42053	5.6
305.62692	5.5
411.35904	9.1
429.31573	57.7
429.37100	100.0
430.37714	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	430.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64169	0.5
54.07483	0.4
54.82094	0.5
55.05455	0.5
56.04974	0.6
57.03364	0.9
60.04439	2.1
61.04005	0.6
62.06018	100.0
69.03331	1.2
69.06987	0.6
70.06517	8.0
71.06870	0.4
72.08073	6.7
77.15237	0.5
84.04420	2.6
84.08059	7.9
85.02831	3.0
86.09645	7.4
87.04395	0.5
88.03934	0.9
97.02858	2.1
107.27524	0.6
110.07111	2.7
129.10179	4.3
130.04971	0.7
136.07571	0.8
208.02873	1.8
444.19171	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81838	0.6
55.05444	3.0
56.04967	5.0
56.96503	0.9
57.03371	0.8
59.84263	0.6
60.04451	3.3
63.51267	0.6
64.34002	0.6
67.05438	1.0
69.03349	3.6
69.06984	3.7
70.02866	0.9
70.06507	32.9
71.06866	2.3
72.08069	30.5
74.05986	3.0
75.05541	0.9
76.07544	1.0
79.05404	0.8
81.03316	0.6
83.06012	1.5
84.04426	11.4
84.08065	94.2
85.02818	5.2
85.06467	1.2
86.06000	8.3
86.09627	35.9
87.04374	0.7
87.05538	0.7
87.09956	1.1
88.02022	0.6
88.03915	1.5
91.05392	1.0
92.10231	1.0
93.06938	0.7
97.02826	3.9
97.07625	0.7
98.97516	2.7
101.04166	3.5
101.07066	1.3
101.10725	2.5
102.05469	4.9
105.06989	0.8
107.04884	2.9
110.07120	7.6
112.08667	1.6
114.05502	6.9
115.03835	0.7
115.08676	3.3
116.07033	2.7
116.98574	1.5
119.05183	1.0
120.08065	4.4
124.02438	0.7
129.06534	1.0
129.10197	100.0
130.08598	3.7
133.02806	3.9
134.99635	1.0
136.07588	4.7
137.05992	5.2
138.06404	0.6
138.56354	0.7
139.03204	1.0
139.08649	3.1
139.87114	0.7
141.10239	3.3
143.11784	3.2
145.10165	0.7
147.11285	3.1
153.06604	4.2
157.09753	1.0
157.39586	0.7
169.09691	4.3
171.07643	0.7
175.07088	0.6
178.02658	1.0
185.16463	1.5
185.41902	0.7
186.12328	16.6
193.04929	12.0
205.05043	1.2
213.16029	1.0
219.13152	0.6
241.03899	0.6
260.19705	1.3
268.11139	0.8
281.15979	2.5
299.17044	1.0
317.21732	1.2
430.26239	19.5
431.22321	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	430.364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60141	1.2
55.01812	2.0
55.05448	19.3
56.04961	10.2
56.05791	1.6
56.96496	1.9
57.03367	2.1
58.06527	3.4
60.04451	8.5
67.05418	8.2
69.03338	6.9
69.06977	10.0
70.06142	2.9
70.06507	65.2
71.04897	9.4
72.08070	38.4
74.05984	3.3
77.45945	1.3
79.05415	7.8
79.07131	1.6
81.06968	7.5
83.04901	2.0
83.06026	1.9
83.08538	9.1
84.04429	23.6
84.07603	2.1
84.08070	48.5
84.50600	1.5
85.02823	17.1
85.45399	1.5
86.09630	100.0
87.09994	3.0
88.03914	6.5
90.05471	1.9
91.05402	6.8
92.10233	2.9
93.06971	1.7
95.04839	1.7
95.08531	2.6
97.02852	2.9
97.10102	24.7
98.05967	16.2
102.05484	3.5
105.06972	6.6
107.08555	12.3
110.07111	12.3
112.07544	6.3
112.08702	3.3
112.11195	7.2
113.07020	1.5
116.07030	2.2
119.08549	2.4
120.08076	20.1
125.09582	27.5
126.12731	1.7
129.10204	25.2
131.04942	2.5
131.08575	2.4
132.10223	2.2
133.02780	1.8
133.09998	1.6
137.05946	3.5
141.06551	2.5
143.11752	5.9
145.10141	2.3
145.88235	1.8
154.12241	3.6
159.11292	3.8
163.07486	1.8
182.15373	51.5
186.09256	1.8
187.14667	1.9
193.04903	6.4
196.16931	3.3
197.12914	2.7
199.18149	1.7
200.16443	97.4
211.41322	1.5
214.18001	9.9
215.14029	2.7
224.04103	2.2
226.39902	1.8
233.15314	7.2
245.18680	1.6
250.08002	1.8
269.17429	2.2
271.23813	3.3
288.26389	2.3
303.73141	2.0
412.35220	3.1
430.21051	12.5
430.30347	3.4
430.36298	97.7
431.36154	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94977	0.9
54.81932	0.9
55.01793	2.0
55.05216	1.5
55.05452	21.8
56.04963	2.5
56.58941	1.0
56.96490	5.4
57.03373	11.3
58.06517	5.1
59.04927	1.2
60.04446	2.9
61.01081	1.2
61.02845	2.5
61.60471	0.9
63.93339	1.0
65.90959	1.0
66.89293	1.2
67.05425	7.1
69.03339	7.7
69.06978	7.1
70.02858	1.0
70.06507	40.2
71.01283	1.5
71.04550	1.9
71.04911	41.4
72.08067	27.3
73.02825	5.4
73.76239	1.1
74.06000	1.4
75.04394	9.2
79.05402	7.5
81.03342	1.3
81.06960	8.5
83.04905	11.4
83.08534	7.4
84.04425	14.5
84.08070	33.0
85.02832	97.2
85.08442	1.2
86.09632	68.6
87.04387	2.6
87.05519	1.2
88.03905	2.4
88.31857	1.3
88.95084	1.1
91.05403	4.6
93.06970	1.8
95.04873	1.1
95.08533	1.9
97.02811	7.3
97.10095	24.6
97.41400	1.1
98.05987	12.6
98.97491	10.3
101.07107	1.1
102.05473	4.3
103.05389	2.4
104.19627	1.1
105.06979	19.8
107.08542	8.5
108.86629	1.3
109.02869	1.1
109.06403	1.9
109.10105	2.1
109.94165	1.1
110.07123	10.7
110.97503	1.6
111.04375	2.8
112.07554	7.0
112.11182	5.0
114.05520	1.1
115.08656	1.6
116.07043	1.5
116.98557	11.9
119.08481	1.6
120.08032	15.7
125.09595	25.4
126.12798	1.6
127.03889	5.0
128.98558	4.5
129.05452	16.3
129.06456	1.5
129.10201	12.9
130.06464	1.7
131.04924	1.6
132.10132	2.1
134.99606	7.2
137.05957	2.1
141.06592	1.9
141.10184	1.6
143.10707	1.7
143.11719	2.5
145.01721	1.3
145.04912	5.3
145.10107	1.6
146.99646	4.9
147.06535	8.0
154.12262	5.5
158.99681	5.0
159.07654	1.7
159.11304	1.7
161.01250	1.8
162.04294	2.2
171.04872	11.9
171.55112	1.9
172.05188	1.2
173.13101	1.6
175.11145	1.7
177.00710	5.7
179.03818	4.7
182.13739	1.8
182.15376	54.1
187.10814	1.4
189.00642	1.5
196.17020	5.3
197.04912	4.9
197.13133	1.6
200.16429	100.0
201.16806	1.3
214.17964	9.7
215.14125	2.0
219.01794	2.7
221.04849	1.9
233.15366	2.8
235.07269	5.1
235.57372	1.6
237.02789	13.2
255.58601	1.6
285.13684	4.5
323.07947	5.1
341.09036	6.0
356.84613	1.4
357.15704	4.6
412.35333	2.8
428.19049	1.3
429.17941	4.8
430.20834	12.4
430.36313	98.1
430.68805	1.5
431.18790	2.6
431.36636	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70741	9.6
54.78580	10.7
60.04464	13.4
60.58471	12.8
61.75866	11.0
69.03346	31.2
69.95847	11.1
70.06507	100.0
72.08068	88.0
81.03310	14.7
84.04417	19.6
84.08068	65.1
85.02821	50.4
86.09614	26.4
87.04388	19.9
97.02837	15.6
98.97529	23.1
116.98587	13.9
119.06956	15.3
124.07624	17.5
126.79347	12.4
129.10196	18.2
137.05956	15.0
171.22237	14.3
287.78888	13.0
323.16110	17.0
398.78165	13.9
412.43158	14.0
431.09778	90.6
431.19910	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	431.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05456	3.1
56.96497	6.5
59.06046	2.6
69.06990	4.2
70.06503	27.7
72.08050	4.7
76.02142	5.5
81.06961	3.4
84.04414	15.1
84.08067	20.6
85.02799	4.4
86.09617	33.5
91.05370	6.0
98.97488	4.5
103.05404	22.0
105.06983	4.2
107.08535	3.8
110.07109	4.8
116.98523	5.0
120.08039	11.4
127.59945	3.0
129.10205	6.4
130.04985	3.9
131.04887	20.6
137.05937	5.3
143.08490	3.8
155.46594	2.5
177.00708	4.2
186.27167	2.9
189.05200	57.3
233.15295	3.0
234.08546	41.6
250.96509	2.8
369.22278	12.7
407.57669	3.1
431.16541	100.0
431.22266	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	431.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20057	1.7
51.29082	1.7
54.81860	2.0
55.05455	2.2
56.96498	2.3
65.05945	2.0
67.05415	2.7
69.03336	5.2
69.06996	3.2
69.46544	2.1
70.06510	16.4
71.86961	2.1
72.08076	3.0
79.05411	2.4
84.04413	3.7
84.08067	11.6
85.02831	4.4
86.09631	20.9
89.37147	2.1
103.05375	3.6
105.06979	5.5
107.04893	2.4
109.10157	2.3
110.07130	2.6
120.08017	3.5
129.10147	3.1
131.04872	2.8
137.05920	8.5
145.10068	3.4
187.97787	2.3
189.05115	2.1
217.64796	2.5
219.06241	5.0
229.14980	2.1
234.08551	54.6
298.22278	2.3
369.22391	12.6
431.16565	100.0
431.22260	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	431.191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01798	2.0
55.05450	17.4
56.04959	5.6
56.96492	3.2
57.03366	15.4
58.06521	5.6
59.04549	1.1
60.04443	2.4
61.02843	3.3
67.05410	3.2
69.03329	7.9
69.06985	5.7
70.06501	41.9
71.04904	38.5
71.06841	1.4
72.08061	26.1
73.02806	5.4
73.39553	1.3
74.05957	2.3
75.04393	11.9
79.05396	3.1
81.03342	2.4
81.06966	6.8
82.36449	1.3
83.04904	9.8
83.08524	3.1
84.04427	15.4
84.08061	38.5
85.02822	100.0
86.03168	1.5
86.09621	84.0
87.04364	1.9
87.05550	1.9
87.09948	1.9
88.03902	4.9
89.05941	1.7
91.05399	3.4
95.04861	2.8
95.08520	2.0
97.02807	7.9
97.10099	15.4
98.05972	8.2
98.97512	8.0
99.05510	2.0
101.07092	1.3
102.05460	5.5
103.05410	2.9
103.38515	1.4
105.06976	8.0
107.08528	5.6
109.02839	2.6
110.07090	6.2
111.04369	2.4
112.07520	5.5
112.08670	1.5
112.11163	3.2
116.98546	3.2
119.08524	2.2
120.08038	16.9
125.09556	15.2
127.03876	2.9
127.08604	1.4
129.05414	20.1
129.06453	3.1
129.10201	18.5
131.04907	1.6
131.08557	2.3
132.10188	2.0
134.99612	2.7
136.07559	2.3
137.05916	2.6
141.06532	2.4
141.10155	1.5
143.10654	1.4
143.11694	2.3
145.04930	5.3
147.06494	11.4
159.03937	1.3
159.07680	2.2
159.09111	1.6
161.05873	1.5
163.05954	1.6
171.04745	1.6
177.00604	2.4
182.15350	31.0
183.15765	5.5
187.07114	2.1
196.16858	1.6
197.17296	1.5
200.16399	52.9
201.12328	1.8
201.16702	11.7
214.17996	2.7
215.13945	2.3
237.02766	5.9
245.18649	2.2
341.09021	2.2
341.98099	1.7
413.35239	1.7
425.90738	1.5
430.36249	43.9
431.18613	2.3
431.36627	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
53.99830	0.9
57.03362	4.6
61.02839	1.2
63.94086	1.0
69.03332	8.9
70.06506	11.7
71.04898	1.3
72.08053	6.3
73.02805	1.6
79.11621	1.0
82.45184	1.1
84.04405	1.4
84.34326	0.9
85.02813	4.4
86.09615	8.0
88.40421	1.2
97.02839	1.8
102.52525	1.1
116.07053	1.3
116.11190	1.2
117.89713	1.0
119.86302	1.2
120.08020	2.3
129.10257	1.4
137.05997	1.7
145.07581	1.6
147.09027	1.7
159.09174	6.4
160.09924	37.9
161.10706	9.6
173.10680	19.0
185.10725	4.7
187.08673	4.0
187.12303	1.2
189.10191	100.0
190.10588	2.6
197.10690	1.2
215.11774	2.0
219.11226	9.6
225.10208	1.7
243.11168	2.0
245.49750	1.1
270.09406	2.8
307.16418	1.6
321.14203	1.1
323.15936	90.6
324.16190	2.5
349.17346	1.5
353.17001	21.0
367.18729	1.9
377.17096	1.6
390.21548	1.1
395.18240	1.9
413.19006	14.8
431.14279	2.4
431.20178	70.5
432.14603	16.9
432.20279	4.1
454.21765	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32819	0.3
51.58644	0.3
53.03874	0.5
55.05448	0.7
57.03381	0.6
64.18954	0.3
69.03352	2.5
72.94740	0.3
73.31154	0.3
79.05389	3.8
80.63672	0.3
81.03327	0.8
81.06956	0.4
83.04899	1.5
85.02805	0.5
91.05400	0.5
95.04897	0.6
95.08515	0.4
102.85985	0.3
103.05415	0.7
105.06976	13.4
107.08523	3.9
111.04381	1.6
119.08525	2.2
120.46465	0.3
123.08009	7.4
129.05441	1.2
133.06461	100.0
134.06854	2.7
134.07803	0.3
135.07954	0.6
136.06175	0.5
137.05963	0.6
147.06419	0.3
149.02321	0.5
151.07491	0.8
158.28911	0.4
279.12305	1.7
297.13229	1.4
308.76880	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77868	0.7
54.07886	0.8
54.48024	0.7
56.04964	2.2
56.84151	0.8
56.96494	1.0
57.03354	1.4
59.04941	0.8
60.04435	1.0
62.06006	5.3
65.70630	0.8
68.04940	1.9
69.03337	5.2
69.04465	3.8
70.06509	7.6
72.08056	4.0
74.05988	4.2
76.02125	1.0
80.04904	2.0
81.03349	3.7
81.04459	22.8
82.05241	5.2
83.06023	16.7
84.04425	5.6
84.08056	4.1
85.02824	9.5
86.09630	10.9
88.03911	1.1
88.41886	0.9
92.10444	6.5
93.04436	4.4
94.55944	1.0
95.06011	56.8
96.04411	2.1
97.02809	5.4
102.05460	1.7
106.04030	1.0
107.06013	10.2
108.04416	1.8
108.05513	1.8
108.08061	2.3
109.02848	1.7
109.03944	4.8
109.06316	10.4
110.07112	100.0
111.05513	7.1
116.07044	1.8
118.06482	1.1
119.06038	2.2
120.05529	1.1
120.08045	3.7
121.03927	1.6
121.96746	0.9
122.02689	1.7
122.05984	1.6
122.07114	6.8
123.04309	1.0
123.05486	6.1
124.08663	45.5
127.03890	1.3
130.08585	0.9
134.06149	1.7
134.07095	11.4
135.05466	1.7
136.04012	0.9
136.06165	1.1
136.07547	5.4
138.03687	2.3
138.05460	2.0
138.06586	1.3
145.02773	2.2
145.07587	1.2
148.03900	5.3
150.05460	1.2
150.06602	1.4
152.07150	4.2
152.08156	99.4
154.03162	1.4
154.09686	2.2
156.07645	1.9
158.99693	1.1
160.08658	1.3
161.07053	2.2
165.05334	2.0
165.06558	4.1
166.03185	10.2
166.04958	1.1
172.08664	1.0
173.07104	2.2
176.08130	1.3
177.05447	4.2
178.13396	1.7
180.07701	1.6
182.02545	7.6
182.08182	1.2
188.08127	8.9
190.09691	2.1
191.08148	1.3
197.03667	1.2
199.20454	1.0
200.08127	1.4
205.04222	1.2
206.09276	1.6
207.05844	18.3
208.06323	1.5
216.07663	4.2
218.09164	5.4
223.05426	1.1
223.15511	2.0
236.10214	17.4
246.08482	1.2
246.44809	0.9
247.15532	7.0
251.04709	4.7
251.15060	1.5
254.11354	2.2
264.09735	5.8
265.16321	1.3
269.05807	23.7
269.10849	1.3
269.15958	12.3
275.14929	1.8
293.11221	1.0
293.16071	8.4
311.17068	42.8
312.17471	1.1
319.86847	1.0
347.16809	6.8
377.18167	7.8
395.19101	24.2
399.98563	1.0
413.20108	5.4
431.21460	9.6
432.14664	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	431.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10292	2.1
55.05445	5.2
56.04969	3.3
58.25968	2.5
62.84110	2.1
67.05413	3.5
67.59332	2.1
69.03343	3.5
69.06987	2.9
70.06504	29.4
72.08068	12.8
81.06960	4.0
83.04848	2.2
84.04416	10.7
84.08061	23.1
85.02831	11.0
86.09624	24.3
91.05395	5.8
95.08521	4.0
97.02815	2.9
98.97526	3.3
103.05388	17.2
105.06969	13.3
107.08524	4.5
110.07106	5.2
119.08528	5.2
120.08067	12.1
121.10149	2.8
129.10172	4.3
131.04895	19.6
133.10095	4.6
136.07603	3.5
137.05960	9.2
149.09634	3.7
157.09946	2.5
235.88054	2.9
311.56616	2.7
318.08563	2.6
369.22406	52.9
417.39514	2.9
431.16650	18.1
431.22324	100.0
436.63443	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3151
Annotation	Homaxisterol B1
Peak:m/z	Relative Intensity
50.89156	1.0
55.05448	18.2
57.07011	2.7
67.05421	26.5
69.03347	1.4
69.06981	29.8
79.05408	22.8
81.06506	2.7
81.06969	68.0
83.04897	8.1
83.08526	7.6
91.05396	11.4
93.06967	26.2
94.73328	1.2
95.04890	1.7
95.08529	54.7
97.01217	1.3
97.06465	14.2
97.10121	2.6
99.04382	13.2
105.06957	8.3
107.04891	5.0
107.08530	27.5
109.06451	5.2
109.10099	31.8
111.04420	4.6
119.08510	14.7
121.10089	18.4
123.08041	1.5
123.11679	12.0
125.05942	69.3
127.03854	25.7
131.08548	1.4
133.06500	1.2
133.10086	6.7
135.07980	2.4
135.11665	14.2
137.05952	6.8
137.13220	8.6
139.03876	7.8
141.05417	2.1
145.04889	1.6
145.10118	5.2
147.11667	8.1
149.13220	10.8
150.04453	1.4
151.07484	2.3
153.05437	100.0
154.06061	1.7
157.10085	1.9
159.11673	2.7
161.13228	3.0
163.07622	1.6
163.14743	5.1
165.05460	1.5
167.06984	7.0
175.11151	2.4
175.14742	1.8
177.16322	1.5
189.12640	2.3
191.10770	2.2
193.08557	2.0
203.10753	1.7
209.11665	14.2
277.17963	2.0
317.20786	1.7
331.22644	1.6
334.04803	1.5
345.24161	2.2
413.30432	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	432.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03371	0.8
57.90009	0.6
59.32030	0.9
61.02864	1.0
62.01412	0.9
62.61720	0.7
69.03338	5.2
70.06511	5.4
72.08070	2.0
73.99794	0.7
74.46967	0.8
81.03338	0.9
83.05989	0.9
84.04431	4.5
84.08071	7.6
85.02818	9.2
86.09622	6.2
88.03877	0.8
97.02819	1.7
102.05507	0.8
110.07126	6.9
114.43846	0.8
118.41355	0.7
120.08133	1.5
125.38705	0.8
127.03871	1.4
129.10202	1.7
137.05952	1.7
145.04968	1.7
159.34251	0.9
171.74033	0.8
177.05490	1.2
202.20070	0.8
243.08298	0.9
270.09409	5.7
270.13214	1.3
300.04950	0.9
347.09320	12.1
374.10400	3.0
405.13541	38.0
432.14670	100.0
433.15027	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52108	0.5
53.94567	0.5
54.81802	0.5
58.90708	0.5
61.02834	0.6
62.09718	0.6
64.81689	0.5
67.70326	0.5
69.03337	1.1
70.06494	0.9
71.01968	0.6
72.08064	2.7
81.04459	1.3
82.05252	0.7
83.06021	1.4
84.04422	1.2
85.02836	3.0
86.09625	4.9
92.10554	1.2
95.06013	4.7
97.02821	0.8
107.05981	1.0
110.07117	10.7
117.03311	1.0
120.08054	7.1
124.08666	4.7
127.03858	0.7
133.04938	0.6
133.06026	1.1
134.07066	0.8
145.02850	1.2
152.07069	1.0
152.08142	7.4
153.08485	0.8
166.08626	1.2
172.36542	0.6
177.05450	2.7
185.04140	8.2
188.88316	0.6
218.09203	0.7
236.10175	1.5
243.08327	6.6
264.80322	0.6
264.83075	0.7
270.09412	26.6
311.16998	2.5
312.17386	1.2
347.09305	5.1
395.19174	1.5
405.13492	16.8
432.14673	100.0
433.15051	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	432.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	0.5
55.01810	1.0
55.05443	1.6
56.96490	0.4
57.03370	2.5
61.02858	2.0
65.03847	0.4
67.05418	0.5
69.03348	13.0
71.04906	0.6
73.02806	0.5
76.68155	0.2
79.05408	1.6
81.03322	1.6
83.04897	5.3
85.02824	5.1
87.04382	0.6
91.03886	0.3
91.05407	9.1
93.06966	0.3
95.08541	0.3
99.04359	0.6
102.38562	0.2
103.05411	0.5
104.06191	0.5
105.06963	3.8
107.08533	44.0
108.08856	1.2
109.06477	2.3
111.04401	2.5
117.06955	1.6
119.08532	100.0
120.08887	2.8
129.05435	2.7
133.06450	3.4
134.06818	0.3
135.08015	31.8
136.08351	1.0
141.88008	0.3
145.10150	0.3
147.06502	1.5
281.13815	1.9
300.17447	0.3
349.59451	0.3
384.81705	0.3
415.21140	1.9
430.12613	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81476	0.9
55.05450	4.5
57.03371	2.5
57.07013	1.0
67.05429	5.3
69.03345	12.4
79.05412	4.0
81.03317	1.4
81.06992	4.3
83.04908	5.0
83.08552	1.7
85.02834	2.1
90.85877	0.9
91.05402	10.7
93.06982	4.5
95.08537	1.6
98.98385	4.7
105.06993	4.3
107.08537	43.0
111.04427	1.5
117.28994	1.0
119.08531	100.0
120.08839	1.5
121.10109	1.5
129.05458	1.4
129.94217	1.2
133.06421	2.2
135.08014	26.2
172.95184	11.1
190.96246	6.4
228.97835	2.2
261.22031	1.8
281.13641	1.7
335.25708	2.3
380.20642	1.1
391.11734	5.7
391.16333	11.3
415.20572	1.4
432.22177	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1337
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
53.03883	0.8
53.40298	0.1
55.01808	0.2
55.05434	0.2
56.04949	0.2
57.03379	0.5
60.04449	0.3
61.02850	0.2
61.84937	0.1
67.01818	0.1
67.05421	0.1
69.03353	2.8
69.06979	0.2
70.06512	4.3
71.01258	0.1
71.04899	0.8
72.08069	2.6
73.02823	0.8
73.08358	0.1
74.05984	0.2
76.73127	0.1
81.03341	4.2
82.18350	0.1
84.04423	0.9
84.08069	2.5
85.02831	6.8
85.08395	0.2
86.09630	2.7
87.04406	0.2
88.03920	0.1
91.05404	0.2
97.02824	4.8
99.04391	5.1
103.03880	4.6
103.05402	0.2
105.06966	0.1
109.02824	3.1
110.07111	0.9
120.08070	0.2
127.03876	100.0
128.04224	0.8
128.13751	0.1
129.10201	1.2
130.06491	0.2
131.04893	0.7
136.07562	0.2
137.05977	0.2
141.10165	0.2
142.62680	0.1
145.04956	1.8
159.09167	0.5
163.06018	0.3
163.07452	0.2
170.05942	0.2
187.05962	0.2
267.45099	0.1
271.08096	0.3
384.07706	0.1
433.27640	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87997	0.9
55.05439	2.0
56.04964	2.4
57.03375	1.3
67.05411	1.5
69.03329	1.1
69.06977	21.2
70.06140	1.6
70.06503	25.9
72.08064	11.6
74.02366	1.3
74.06044	1.1
81.06966	1.7
83.04865	0.9
84.04427	12.0
84.08075	12.3
85.02803	4.4
85.03943	1.2
86.09621	100.0
87.09953	1.7
88.03905	20.6
91.05396	4.8
93.06961	1.8
95.04914	1.8
95.08535	4.6
96.08038	6.6
97.02829	1.3
98.02332	6.6
103.05434	1.2
105.06957	4.5
107.04919	1.1
107.08556	1.6
109.06467	1.1
110.07109	6.3
110.09628	3.9
112.08724	1.3
113.10720	1.2
114.09087	1.2
115.04981	1.2
116.07041	1.5
118.06470	23.7
118.85360	1.0
119.08543	2.4
120.08057	9.7
121.10037	1.3
127.08649	1.2
129.10191	5.9
130.04965	5.6
130.06490	5.3
132.08023	10.8
133.06076	1.5
133.10063	1.3
136.07544	1.4
137.05949	2.2
137.09579	1.2
138.09085	4.3
141.10175	14.6
142.06432	1.2
142.08536	1.6
142.15698	1.1
143.07260	1.5
144.08063	12.7
145.10095	2.2
146.05974	70.4
147.06377	1.3
147.07623	1.3
156.10149	27.6
159.09132	21.4
159.11598	1.1
160.07533	2.0
163.11165	1.7
164.11539	1.4
170.05960	4.9
183.11258	5.7
184.09645	1.6
188.07018	94.8
189.07268	1.7
190.84126	1.0
199.14888	1.1
201.12291	58.6
205.09680	39.1
229.11765	10.8
287.13937	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.232
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
53.69251	1.0
55.05438	5.2
57.03366	9.5
57.06779	1.8
57.07014	31.0
67.05412	7.2
68.80537	1.1
69.06985	6.4
69.93945	1.3
71.08548	14.8
81.06956	9.4
83.08522	5.6
84.22528	1.2
85.10088	8.8
93.06956	1.6
95.08539	11.8
98.98399	5.2
99.82114	1.2
103.51993	1.3
106.44122	1.3
106.58624	1.2
106.94970	1.4
107.08519	3.3
109.10101	7.7
119.08519	2.6
120.96568	13.6
135.08047	1.4
176.99174	1.4
179.85126	1.5
195.00278	7.7
251.32368	1.4
313.27249	30.9
363.75851	1.4
415.22116	7.4
415.27481	1.3
433.23160	100.0
434.23474	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	434.202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22656	1.7
54.81235	2.3
55.01803	2.0
55.05446	3.8
56.04970	4.0
57.03372	55.0
57.75504	1.5
59.04923	8.5
60.04445	8.1
61.02849	4.7
62.05978	1.9
67.05436	2.5
69.03349	92.3
69.06985	7.3
70.06511	46.2
72.08070	24.9
73.02829	4.2
74.05997	3.1
75.04388	9.6
79.05392	2.2
81.03328	7.0
81.06964	3.1
83.06023	2.1
84.04433	15.2
84.08064	35.0
85.02827	100.0
86.09135	3.3
86.09626	43.0
87.04396	47.3
88.03921	3.4
91.05382	4.1
93.06953	8.7
95.04890	3.2
95.08529	2.9
97.02817	65.9
99.04421	2.2
102.05458	8.4
105.06969	20.7
107.04917	3.0
107.08524	8.5
109.02808	4.5
109.10143	2.1
110.07125	19.7
115.03880	58.6
116.07053	2.5
118.39134	2.1
119.04906	2.2
119.08530	3.8
120.08065	12.7
121.10052	2.9
127.03835	15.0
128.21808	2.2
129.10213	19.5
130.06529	3.0
131.04918	1.9
131.08469	2.0
133.04935	46.7
136.07550	4.3
137.05978	2.3
145.04918	16.7
145.10114	4.7
150.07550	4.6
150.96060	1.9
159.09177	3.8
159.11618	2.5
161.13225	2.3
165.01814	2.0
181.08586	14.8
183.02811	3.3
195.02892	10.1
198.91937	2.3
201.16283	4.7
219.17358	7.4
231.09087	4.7
231.81856	2.0
237.18437	2.6
241.06862	2.6
255.12198	19.4
285.12982	2.7
295.09793	2.8
435.12881	3.2
435.19559	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83389	0.5
53.00259	0.5
55.01813	1.5
57.03097	1.1
57.03374	31.6
59.04711	0.5
59.04943	8.0
60.04445	1.6
61.02857	5.1
68.08894	0.6
69.03349	91.9
70.06509	1.1
71.01257	0.8
73.02820	3.5
75.04385	4.5
81.03331	5.5
84.08080	0.9
85.02826	100.0
85.83039	0.6
86.09633	0.9
87.04390	56.1
91.03876	0.7
97.02821	70.8
97.45334	0.7
99.04383	4.5
101.90021	0.6
103.03883	1.3
105.06976	7.6
109.02819	4.4
115.03879	65.7
117.06996	0.7
122.13515	0.8
123.04406	0.8
125.25782	0.8
127.03873	11.7
133.04926	49.6
137.16150	0.7
145.04916	14.2
147.08002	0.9
150.07565	8.0
163.05988	6.7
171.08112	0.9
179.19301	0.8
183.48682	0.8
185.16824	0.7
197.02751	0.8
208.19371	0.7
259.08041	4.5
285.13263	4.2
295.10184	1.4
298.23627	0.8
324.35330	0.8
334.50735	1.0
368.80124	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	1.1
54.84044	0.8
55.01800	3.7
55.05440	7.8
56.96502	1.9
57.03371	6.7
57.07000	1.5
59.25568	0.9
62.28504	0.8
65.03854	1.0
67.05426	26.5
68.67897	0.8
69.03347	70.9
69.06985	8.3
70.06507	22.4
71.04902	3.9
72.08065	1.8
73.02836	9.7
79.05405	12.9
81.03335	1.6
81.06974	97.7
83.01302	1.0
83.04895	14.8
83.08530	1.7
84.04440	4.5
84.08071	1.8
85.02824	17.4
86.09630	12.0
87.04393	0.9
91.05401	18.3
92.10188	0.8
93.06970	30.8
95.04888	8.0
95.08533	51.5
97.02824	11.4
97.06461	7.3
97.10099	10.5
98.97539	1.5
99.04338	1.7
102.05484	1.3
103.05376	1.6
105.06270	1.6
105.06969	43.9
107.04902	1.4
107.08528	30.5
107.09197	1.6
107.30949	0.9
109.06476	6.9
109.10103	16.0
110.07110	1.1
111.04379	6.9
111.07994	4.4
113.02317	9.2
115.03883	65.3
116.98582	1.1
117.06946	8.6
119.04933	1.3
119.08534	43.6
120.08037	8.0
121.06472	3.6
121.08415	0.8
121.10081	15.8
123.04385	1.4
123.08015	3.9
123.11656	100.0
124.11955	1.1
125.05916	4.4
127.03811	1.1
129.05429	29.4
129.06952	2.2
129.10213	1.2
131.08524	31.5
133.06433	2.3
133.10100	26.1
135.07994	2.1
135.11678	18.7
137.05952	6.4
137.09491	1.0
141.05476	1.9
141.12704	10.0
143.07039	5.3
143.08496	7.5
144.06537	1.3
144.09286	3.6
145.06497	1.3
145.10112	30.7
147.07982	3.7
147.11659	58.4
149.05959	1.0
149.09628	3.5
149.13297	6.5
151.07541	3.7
155.07028	8.7
155.08408	1.2
156.09277	1.7
157.10098	3.6
158.10843	4.3
159.08090	2.2
159.11661	20.1
161.09607	1.7
161.13223	41.7
163.07498	1.4
163.11209	0.9
163.14725	1.5
165.12704	22.4
167.07024	1.3
171.11650	10.1
173.09680	1.6
173.13217	30.6
175.11099	1.1
175.14882	1.3
177.12767	1.8
179.10568	1.5
179.14294	1.9
183.11665	1.1
189.12746	15.2
191.14278	5.6
201.09148	1.2
201.12737	10.9
201.16365	1.7
207.13741	23.2
209.09085	1.3
215.99245	1.1
219.13794	23.6
219.17191	2.8
225.14806	58.8
226.15187	1.1
237.14809	57.1
255.15851	28.8
313.18304	1.2
427.42435	1.1
453.54935	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00237	0.6
54.81618	0.4
55.05443	0.8
57.03365	0.5
57.07014	12.8
57.95786	0.3
67.05415	2.4
69.03351	0.4
69.06988	0.7
76.11111	0.4
79.05392	1.5
81.06969	2.2
83.08532	0.5
91.05373	2.8
93.06961	1.8
95.08514	1.8
97.06432	0.6
97.10121	0.4
97.42453	0.4
98.98396	2.4
105.06971	8.8
107.04922	0.5
107.08549	3.1
112.99938	2.2
119.08528	14.9
121.06463	4.1
121.10096	29.7
131.08604	0.7
133.06462	1.8
133.10088	13.8
133.10986	0.5
142.07733	0.9
145.06432	0.4
145.10085	1.8
147.08018	2.2
147.11664	28.3
147.38591	0.4
148.12033	0.5
151.09987	0.4
151.11157	1.6
155.00955	0.8
157.10121	2.3
160.08778	1.5
163.11169	2.0
169.02588	0.8
175.11148	15.2
177.12711	0.7
197.85756	0.4
263.23578	0.5
283.16867	100.0
284.17114	4.6
337.27432	0.6
339.23126	53.2
340.23581	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	435.2502
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
51.54466	1.0
55.05447	38.8
57.03372	22.8
57.07004	8.6
65.03880	1.4
67.05085	2.8
67.05425	80.9
69.06612	1.4
69.06985	41.1
71.08548	2.9
74.09508	1.3
76.26413	1.3
79.05399	18.9
81.06969	78.3
83.08537	18.0
85.06468	1.5
91.05398	17.5
93.06968	21.4
95.04882	1.5
95.08529	70.9
97.06448	2.8
97.10085	6.7
98.98394	100.0
105.06955	9.2
107.08521	13.0
109.10097	24.4
111.08016	2.3
116.99429	2.4
119.08558	9.8
121.10076	6.8
123.11665	10.0
133.10092	8.8
135.11664	2.7
136.73024	1.4
137.13225	2.2
147.11694	5.6
149.13174	3.5
155.01009	23.0
161.13289	4.9
169.55226	1.7
173.01982	5.4
175.14653	2.2
245.22557	7.6
263.23663	17.6
264.48697	1.7
337.27274	92.4
338.27686	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77869	1.4
55.05452	16.5
57.07008	1.6
67.05433	6.5
69.06978	1.7
72.08069	100.0
74.09640	2.4
76.17708	1.6
79.05422	2.7
81.06974	9.0
93.06943	2.2
95.08546	4.0
98.98383	8.7
165.12801	2.4
291.00238	2.3
337.27078	2.8
353.20581	31.8
354.20712	3.4
362.30502	16.4
390.29990	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	436.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00245	1.2
53.03886	1.0
53.08855	0.6
55.01804	2.4
55.05451	2.7
56.04966	2.3
56.96505	0.9
57.03095	1.3
57.03371	35.8
59.04932	8.7
59.84011	0.5
60.04455	3.9
61.02855	4.0
65.03862	2.7
69.03346	100.0
69.06990	1.0
70.02866	0.7
70.06507	18.3
70.47461	0.6
71.04913	1.5
71.06834	0.7
72.08065	13.3
73.02835	4.5
73.08390	0.9
74.05992	1.2
75.04389	8.2
79.05395	1.0
81.03327	4.3
81.06944	0.9
83.06018	0.6
84.04424	6.0
84.08064	9.4
85.02824	82.4
86.09628	10.4
86.28551	0.6
87.04388	60.0
88.03899	0.7
89.31787	0.6
89.71757	0.6
91.03835	0.7
91.05415	1.2
93.03330	3.7
95.04892	1.0
95.08524	1.3
97.02819	67.2
98.05988	0.7
98.97482	0.9
99.04378	3.6
102.05466	0.7
103.05424	1.2
105.06982	1.0
107.04880	2.6
107.08551	0.9
109.02855	2.9
109.06452	0.8
110.07097	5.8
111.04390	9.5
112.08715	0.6
115.03876	58.0
116.07036	2.8
116.98571	0.8
119.01914	0.7
120.08058	6.5
121.06458	1.2
123.04355	0.9
125.05948	27.3
127.03864	7.6
129.10187	5.0
131.04915	2.7
133.02870	2.3
133.04926	54.4
135.04372	1.5
135.08041	1.0
136.07582	2.9
137.05943	6.1
139.03891	0.8
144.06564	0.9
145.04915	7.6
149.05972	1.0
150.07567	5.0
161.03004	0.8
161.05946	1.1
165.05478	0.8
167.06982	3.1
169.04939	1.1
175.07587	0.7
191.06973	3.1
203.06995	0.7
237.63794	0.7
239.12730	0.7
259.08087	2.5
295.10193	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	0.5
55.01802	0.9
55.05442	0.4
56.04972	0.5
57.03374	5.6
58.30003	0.2
59.04923	1.2
60.04449	1.2
61.02847	0.4
69.03349	15.8
69.06983	0.3
70.06513	6.6
72.08073	3.6
73.02818	0.3
73.08392	0.2
74.02332	0.2
74.05994	0.4
75.04400	1.5
79.05406	5.0
81.03341	0.4
81.83666	0.2
83.06016	0.4
84.04424	2.0
84.08062	5.5
85.02827	12.8
86.05984	1.2
86.09620	3.3
87.04391	10.9
87.05505	0.4
88.03932	0.3
91.03855	0.2
91.05417	0.5
92.10814	0.4
93.04462	0.2
93.06966	0.3
95.04899	2.3
95.06051	0.3
97.02822	12.7
98.06003	0.3
102.05481	0.3
103.03882	0.5
103.05418	0.2
105.04512	0.3
105.06967	0.4
106.09147	0.2
106.89650	0.3
107.04897	100.0
108.05197	0.8
109.02864	0.3
109.06490	0.3
110.07108	7.3
111.07516	0.2
112.08682	0.2
115.03882	9.0
117.06985	0.2
119.04900	1.4
120.08064	2.1
121.06443	2.0
123.04388	1.2
127.03851	0.9
127.08642	0.3
128.06224	0.2
129.10191	2.6
130.06485	2.3
130.08522	0.2
131.04889	4.9
133.01228	0.2
133.04932	8.0
133.06400	0.8
136.07570	0.5
137.05969	0.5
139.03902	0.2
145.04922	1.1
145.06456	1.1
147.08017	0.4
149.05962	1.7
150.07619	0.9
151.07469	0.3
156.07690	0.9
157.06306	0.4
157.07582	9.8
157.08827	0.4
159.41791	0.2
161.05940	0.3
163.07497	0.3
169.04797	0.2
173.05949	3.1
175.07510	0.8
177.09039	6.6
177.10474	0.3
181.08563	0.5
183.06543	0.2
191.06998	2.5
193.04970	0.4
193.08629	0.2
203.06937	0.4
220.91470	0.2
221.08273	0.3
221.11702	0.4
228.11342	1.9
239.09050	0.5
253.09335	0.4
256.10751	4.5
259.08078	0.3
274.11935	0.2
283.73758	0.2
295.10184	0.5
349.03961	0.2
435.45190	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01312	0.2
53.03881	0.3
55.01800	1.5
55.05439	0.8
56.04957	1.0
57.03369	5.9
58.12886	0.2
60.04436	0.2
61.02847	1.4
64.33599	0.2
67.05396	0.2
69.03342	2.1
69.06979	0.5
69.28633	0.2
70.06141	0.3
70.06505	6.4
70.09396	0.2
71.04884	0.2
71.06824	0.2
72.08065	6.6
74.05986	0.4
75.04390	2.9
79.05394	2.5
81.03324	1.5
81.06975	0.3
83.06007	0.2
84.04414	1.8
84.08061	3.0
85.02335	0.4
85.02820	7.1
85.08379	0.2
86.09612	3.7
87.04370	0.3
88.03904	0.3
91.05397	1.1
93.06946	0.3
94.04108	0.9
95.04884	0.8
97.02840	1.9
102.05468	0.3
103.05408	2.4
105.06966	28.8
106.07295	0.4
107.04893	4.4
107.08521	0.3
108.12567	0.2
109.02809	0.8
109.06461	1.0
110.07113	3.1
111.04350	0.2
114.09116	3.1
115.05386	0.7
116.07046	0.4
117.06940	0.4
119.04872	0.2
120.08077	1.8
121.06436	1.4
121.07297	0.2
122.03613	1.7
123.04376	0.5
123.07972	0.2
124.05173	0.9
127.03873	1.2
128.04308	0.2
128.06143	0.2
129.10210	1.2
130.04947	0.2
130.06448	0.2
131.04884	1.1
133.06448	51.3
134.06769	0.8
135.04391	0.8
135.07996	1.4
136.07530	0.3
137.05942	100.0
138.06294	2.1
143.08545	0.2
145.04964	0.2
145.06448	0.3
147.08000	0.3
148.05132	0.4
148.43840	0.2
149.05908	0.3
150.06693	0.9
151.07524	0.8
161.05930	0.2
161.09619	0.3
162.06729	0.2
163.07483	5.2
165.09070	22.6
166.06151	0.3
166.09430	0.3
167.10625	0.2
175.07486	3.6
175.11014	1.0
177.09065	1.3
180.07797	0.4
181.08537	3.5
182.09366	0.3
183.10114	10.6
183.11696	0.4
185.16429	0.3
191.10632	0.3
193.08563	0.2
203.10597	2.5
209.11771	0.4
213.15952	0.8
216.12218	0.2
221.11646	3.0
239.12723	2.3
241.15436	0.3
257.13760	27.8
257.77032	0.2
258.14157	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01800	1.8
55.05450	16.3
56.96503	1.7
57.03378	14.8
61.02859	1.3
67.05426	8.8
69.03347	6.5
69.06984	10.3
70.06517	8.9
71.04912	12.1
72.08054	1.8
75.04387	1.4
77.32351	1.3
79.05401	10.5
81.03334	4.4
81.06971	28.7
82.06508	2.4
83.04900	19.0
83.08544	11.4
84.08078	6.0
85.02822	20.9
85.06469	2.0
86.09634	6.6
87.04379	1.2
91.05409	10.7
93.06968	26.3
95.04901	4.6
95.08532	18.6
97.02812	2.8
97.06457	10.2
99.04378	1.5
99.08016	1.7
100.07553	2.3
100.11175	24.7
101.05957	1.3
101.11528	2.1
105.06973	43.9
107.04855	1.3
107.08538	23.6
109.06471	15.0
109.10081	12.5
110.07124	1.9
111.04380	6.2
111.08011	12.9
112.07571	1.4
113.09586	1.3
117.06963	1.2
119.08528	27.6
120.08060	2.5
121.06465	2.1
121.10104	16.8
121.10950	1.5
123.08014	100.0
123.11646	4.2
125.06009	1.1
125.09585	2.7
127.07491	17.6
128.07063	2.1
129.09079	8.5
129.10146	4.1
131.08516	6.5
131.16299	1.1
133.10088	16.6
135.11670	6.3
137.05971	4.2
137.09563	1.8
139.13319	1.2
141.09129	1.3
141.11542	1.6
142.07706	2.3
143.08565	6.9
145.10115	10.7
147.11658	36.2
149.09587	14.1
149.13229	5.8
155.07050	2.6
157.10014	8.9
159.09216	1.4
159.11644	1.9
161.06021	1.4
161.09619	2.0
161.13164	9.0
163.11162	7.3
165.09087	1.3
165.12724	6.2
167.07059	1.8
175.14752	10.8
177.12627	2.3
179.14301	4.2
179.62001	1.0
180.09544	1.1
181.04887	2.2
182.15381	13.5
183.15781	1.3
185.13248	9.1
193.15877	4.6
199.17949	1.5
201.12549	1.5
202.88139	1.1
203.14285	18.4
209.16573	1.1
210.14862	8.0
211.15170	1.9
219.17500	1.2
221.15303	37.0
239.16382	34.8
257.17429	7.4
331.74683	1.1
355.17490	1.2
436.20166	8.4
437.21310	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	7.5
55.01810	4.0
55.05433	3.8
56.96494	2.9
57.03359	3.3
61.02841	2.4
65.03849	2.9
65.97289	1.8
67.05417	21.2
69.03347	4.7
69.06982	10.6
70.06518	15.2
71.04907	3.3
72.08053	3.7
73.02852	2.8
75.90228	1.8
77.03798	2.2
79.05398	12.9
81.03317	3.5
81.06973	100.0
84.04409	3.2
84.08053	9.1
85.02840	28.1
86.09630	10.3
88.03897	2.5
91.05412	16.6
93.06970	29.1
93.89845	1.9
95.04896	77.0
95.05919	2.1
95.08519	21.9
97.02820	10.0
97.06455	9.1
97.10099	2.5
97.16445	2.1
103.05378	9.1
105.04462	2.6
105.06963	15.5
107.04905	10.0
107.08519	16.2
108.02023	2.4
109.02826	2.4
109.10101	12.3
110.07108	2.9
111.11681	2.2
119.08546	8.1
120.08049	34.0
121.06459	16.0
121.08370	3.4
121.10092	14.5
123.04382	63.3
123.08067	2.3
123.11656	10.2
127.07505	3.3
129.10248	3.2
131.04884	2.1
133.10091	12.3
135.04327	2.1
135.11646	4.7
137.05922	10.7
139.03845	2.9
139.11166	4.9
140.04649	23.5
147.11607	7.6
149.05919	7.7
149.13268	3.7
151.03923	2.8
151.11215	2.8
154.06190	11.0
155.06979	23.9
161.13191	7.3
163.14775	37.1
167.07022	16.7
175.14778	3.5
177.05379	4.0
179.07014	8.0
181.04929	7.6
181.08578	25.7
183.06476	45.7
196.12158	2.1
203.17912	42.8
205.19420	3.0
209.08008	11.0
210.08826	8.9
221.18976	44.7
274.65210	2.1
436.20422	2.1
437.21298	4.4
452.03708	2.0
464.41837	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	437.144
Annotation	Pterosupin
Peak:m/z	Relative Intensity
51.16384	0.2
53.03876	0.3
55.01802	1.2
55.05447	0.6
56.04967	0.6
56.48516	0.2
56.96506	0.4
57.03349	0.5
60.04440	0.5
61.02854	0.4
63.29660	0.2
67.05415	0.4
69.03333	1.1
69.06996	0.5
70.06502	6.1
72.08069	2.3
74.05991	0.6
79.05399	1.4
81.06960	0.6
84.04420	1.5
84.08069	4.3
85.02811	2.5
85.06373	0.3
86.09620	6.6
87.09932	0.3
91.05402	1.3
92.10268	0.4
93.06938	1.0
95.04885	1.8
95.08509	0.4
97.02798	0.6
98.97514	0.5
102.05488	0.4
103.03910	0.5
103.05394	0.7
105.06950	0.6
107.04890	100.0
108.05225	1.6
109.02834	1.1
109.06413	0.3
109.10142	0.4
110.07126	2.2
111.04294	0.3
116.98563	0.6
117.06980	0.4
120.08038	3.1
120.96037	0.3
121.06439	0.5
121.10113	0.4
123.04353	1.0
127.03897	0.7
129.10194	1.5
131.04860	1.2
133.10129	0.4
136.07576	0.4
137.05940	1.9
137.09578	0.6
139.03891	1.6
147.04427	0.5
149.05927	0.5
151.03824	3.0
161.05927	0.4
163.03784	2.2
165.05360	1.1
165.08997	0.4
167.07005	0.5
168.07315	0.3
169.04886	0.4
173.06026	0.6
175.03957	0.5
181.04944	4.6
187.03857	0.9
189.00638	0.4
189.05431	0.5
193.04900	6.2
205.04895	1.9
207.06512	1.4
211.05907	2.2
213.05563	0.4
217.04979	0.6
219.01685	0.3
229.04860	1.3
235.05925	4.1
241.04974	0.5
247.05957	4.0
259.05887	2.3
273.10904	0.3
275.09036	0.6
277.06924	0.4
287.08948	2.6
299.09018	2.3
317.10059	4.4
335.09149	0.4
341.10086	6.2
353.10153	4.4
365.10110	2.0
371.11188	0.4
383.11282	1.4
401.12814	0.3
437.21503	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	7.5
53.20526	0.7
54.81970	0.9
55.01814	6.4
55.05444	1.7
56.96502	1.5
57.03366	3.8
64.33607	1.0
65.03854	4.2
66.51673	0.9
67.05424	11.9
69.03339	1.7
69.06986	3.4
70.06512	6.5
71.04902	1.0
71.56484	0.8
72.08065	3.4
73.02821	0.9
75.04396	1.1
78.18273	0.7
79.05399	4.3
81.03333	1.7
81.06979	18.8
82.07311	1.2
84.08061	4.4
85.02818	6.7
86.09619	4.4
91.05403	12.7
92.43627	0.8
93.06969	13.1
95.04893	100.0
95.08527	4.6
96.05250	1.0
96.65891	0.8
97.02795	2.0
97.06422	1.4
103.05396	8.1
103.30486	1.0
105.04443	4.1
105.07008	6.5
107.04883	4.2
107.08527	2.1
108.02033	5.0
109.06470	1.3
109.10098	3.6
110.07137	1.3
111.04396	2.0
116.98576	1.2
119.04896	2.1
119.08516	5.1
120.08009	3.4
121.06458	16.1
121.10093	4.8
123.04381	76.3
123.11623	1.6
125.05927	1.0
129.10210	1.7
131.04846	1.7
133.10074	2.2
135.11641	1.3
136.13062	0.9
137.05945	9.6
139.03889	5.1
140.03621	1.4
140.04654	23.9
141.05476	1.7
147.04390	1.1
147.11685	1.1
149.05930	7.8
151.03857	5.8
151.07579	1.1
154.06219	17.2
155.06995	36.9
161.09636	1.0
163.14737	6.3
164.04683	1.0
164.15125	1.1
164.30676	1.0
165.09126	1.2
166.06180	3.6
167.06996	16.6
167.10799	0.9
177.05473	6.9
179.07001	10.6
181.05014	8.8
181.08566	34.2
182.08946	1.1
183.06493	61.3
203.17851	8.3
204.18268	1.3
209.08043	20.4
210.08827	14.4
211.09581	3.7
221.18988	5.2
222.19321	1.7
255.11987	1.9
385.44806	0.9
437.21448	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.193
Annotation	Deisovalerylblastmycin
Peak:m/z	Relative Intensity
59.71404	1.0
60.53615	1.0
65.27352	1.2
69.07000	1.8
79.49665	0.9
81.06970	2.6
91.05394	1.6
95.50766	1.0
130.86714	1.1
133.10056	1.4
137.05989	2.0
147.11658	1.7
275.93875	1.2
349.06113	1.2
384.11691	1.1
437.19257	100.0
438.19583	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	437.2659
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
54.46606	0.9
55.05453	54.9
57.03376	21.5
57.07013	21.0
58.85654	0.9
59.88177	1.0
64.33266	1.0
67.05429	34.2
69.06606	2.0
69.06989	61.2
71.08547	6.9
79.05402	16.4
81.06979	36.5
83.08543	43.3
83.09011	2.3
85.10109	2.2
87.84522	1.1
91.05415	1.5
93.06977	22.4
95.08534	36.6
97.06459	4.9
97.10104	18.6
98.97732	2.6
98.98395	78.9
107.08543	12.3
109.10089	12.2
109.65180	1.4
111.08026	2.4
111.11664	4.5
111.84981	1.1
116.99467	2.0
121.10103	16.6
123.11688	4.7
125.09593	1.9
135.11674	10.7
137.13235	1.8
149.13234	4.9
155.01010	27.5
155.02148	2.0
172.41409	1.4
173.02031	1.8
189.40404	1.2
208.07898	1.3
247.24214	1.7
265.25101	11.5
339.28882	100.0
340.29187	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	437.2658
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
53.40648	0.8
54.81628	0.9
55.01802	1.0
55.05449	49.8
57.03133	1.5
57.03373	22.8
57.07004	20.2
64.27644	0.9
65.34024	0.9
67.05426	34.5
69.06985	51.9
71.08532	8.1
75.04379	1.3
79.05402	12.8
81.06971	34.3
82.46542	1.1
83.08537	31.1
85.06448	2.1
85.10110	2.0
89.22019	1.1
91.05413	2.5
93.06965	17.4
95.02472	1.2
95.08530	36.9
97.06449	2.6
97.10092	21.2
98.98390	69.8
107.08540	7.8
109.10098	10.0
111.08028	1.4
111.11682	2.6
116.99432	1.7
121.10106	15.8
123.11658	2.5
132.39944	1.2
135.11638	10.5
149.13214	4.6
151.14777	1.7
155.01018	28.9
163.14809	1.3
173.02020	1.2
190.71942	1.3
247.24039	5.0
252.75284	1.1
265.25220	13.3
270.70700	1.2
322.43277	1.3
339.28873	100.0
340.29083	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	437.2659
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
55.05185	2.1
55.05445	42.7
57.03369	20.3
57.07009	16.4
67.05422	33.5
69.06984	50.4
71.04902	1.7
71.08532	7.3
79.05409	11.8
81.06969	36.2
82.95910	1.5
83.08531	39.3
85.06460	2.3
85.10089	2.0
85.21315	1.7
90.19801	1.3
93.06971	17.8
95.08529	30.5
97.06459	2.8
97.10085	22.5
98.97737	2.9
98.98386	78.5
99.08012	1.8
107.08513	14.4
108.66431	1.7
109.10118	12.5
111.08009	2.8
111.11658	2.2
121.10129	14.5
123.11603	1.6
127.44685	1.5
135.11664	9.5
144.57864	1.5
149.13234	2.7
155.00996	36.5
173.02071	2.6
247.24066	2.7
252.03387	1.8
265.25238	12.7
339.28873	100.0
419.25217	2.3
440.61789	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.266
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
53.03886	0.8
55.05450	33.9
57.03381	13.1
57.07016	10.9
67.05424	24.9
69.06987	39.6
71.08546	4.7
72.59097	0.9
75.04405	0.9
79.05413	10.5
81.06973	25.7
83.08537	25.8
85.06458	1.6
85.10130	1.2
85.18887	1.0
91.05409	1.1
93.06968	16.0
95.08537	26.9
95.09134	0.9
97.06479	3.3
97.10102	15.6
98.98395	100.0
99.08039	1.1
107.08515	11.3
109.10096	10.7
111.08022	2.2
111.11680	3.3
116.99458	3.4
121.10108	14.2
123.11633	1.7
127.23740	1.1
135.11652	8.5
139.11156	1.1
149.13234	4.1
155.01006	59.1
163.14839	1.0
173.02124	3.7
185.22000	0.8
196.04024	0.9
221.46065	1.0
247.24181	5.2
265.25183	22.2
317.07175	1.0
339.28882	30.0
340.29163	1.6
419.25455	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2659
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
53.00240	1.3
55.01823	1.1
55.05189	1.5
55.05452	41.8
57.03377	24.1
57.07008	14.5
62.15736	1.0
64.68341	0.9
67.05428	31.5
69.06989	47.1
71.04923	2.0
71.08551	8.5
79.05408	14.6
79.55717	0.8
81.06511	1.4
81.06974	34.4
83.08539	29.1
84.51265	0.9
85.10088	2.2
91.05410	4.0
93.06973	18.7
95.08533	30.3
97.06474	4.5
97.10103	17.0
98.98396	70.6
107.08565	10.8
109.10108	13.7
111.08015	1.9
111.11643	3.7
116.99504	1.4
121.10103	16.7
123.11651	1.5
135.11633	10.4
139.11136	1.0
149.13268	4.5
155.01013	25.6
157.32532	1.2
173.02032	2.1
236.35783	1.1
247.24109	4.0
265.25171	10.6
339.28885	100.0
340.29254	4.6
349.59705	1.1
400.31830	1.3
408.70480	1.2
418.32977	2.0
419.25562	1.6
419.33139	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	437.2661
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
53.18242	0.9
55.05187	1.7
55.05452	49.8
56.81383	1.0
57.03374	21.0
57.07008	16.8
67.05428	32.1
69.06989	54.9
71.08539	6.7
75.04371	1.1
79.05413	13.3
81.06976	32.2
83.08538	39.2
85.10115	1.8
91.05409	1.4
92.10224	1.7
93.06432	1.5
93.06973	23.1
95.07958	2.0
95.08532	36.6
97.06461	7.6
97.10109	16.9
98.98396	100.0
107.08540	8.8
109.10094	11.6
111.08020	2.7
116.68900	1.1
116.99448	6.1
121.10100	17.2
123.11658	1.8
125.09621	1.3
128.89587	1.1
135.11668	14.0
137.13246	1.7
137.97670	1.1
139.11127	1.4
149.13187	5.7
155.01019	53.9
173.02071	2.5
247.24168	5.7
265.25195	19.0
334.69476	1.5
339.28873	63.3
340.29214	2.2
368.15521	1.4
419.25330	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56109	1.3
55.05457	15.1
57.07000	6.5
67.05429	22.9
69.06989	29.0
79.05406	9.4
81.06974	52.6
83.08528	13.7
87.04411	1.5
89.05958	7.6
90.44522	1.4
91.05418	8.7
92.10898	3.0
93.06973	20.4
95.08534	100.0
97.10120	2.1
98.98398	5.6
105.06969	29.5
107.08536	29.2
109.10100	30.8
117.07001	5.8
119.08537	51.0
121.10075	23.6
123.11635	15.1
131.08546	13.0
133.08527	1.9
133.10103	32.2
135.11667	11.1
135.69461	1.5
137.13243	11.4
143.08557	5.8
145.10089	35.9
147.11665	26.0
149.13251	8.4
151.14828	5.7
153.09074	2.2
155.01045	2.2
155.08534	1.8
157.10129	8.8
159.11681	15.4
160.12454	5.6
161.13243	18.3
163.14835	8.3
165.09114	2.1
169.10184	2.7
171.11658	11.0
173.13206	13.3
175.14784	20.7
177.16374	3.1
179.10640	2.2
183.11685	6.4
185.13365	4.8
187.14833	6.0
189.16364	19.0
191.17894	10.1
197.13272	3.0
199.14801	8.9
201.16327	33.2
203.17929	30.6
209.13232	1.6
211.14729	2.1
213.16312	11.6
215.17937	8.3
217.15965	1.8
217.19466	2.2
225.16417	2.3
227.17955	1.9
229.19482	3.0
239.14986	1.9
239.17899	10.8
241.19505	21.1
243.21104	8.0
245.15097	1.5
247.16895	10.0
253.19463	5.8
255.21071	6.1
259.20630	2.6
267.20944	2.7
279.21014	1.6
285.18539	10.5
287.19803	4.8
299.19910	2.5
335.27298	2.7
339.29031	3.3
349.28879	2.1
391.33636	14.5
437.19638	5.8
437.34100	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00255	0.6
55.01804	0.9
55.05442	3.0
56.04980	5.2
56.26943	0.6
56.96503	0.7
57.03364	1.3
60.04453	1.4
61.01064	0.9
64.17045	0.6
65.03862	3.1
67.01781	4.8
67.05425	3.2
68.99712	5.5
69.03345	4.2
69.06985	1.5
69.16013	0.6
70.06510	28.7
71.04887	0.9
72.08070	15.0
74.00571	1.1
74.05985	3.5
79.05397	3.2
81.03365	1.0
81.06974	0.7
84.04430	9.4
84.08065	17.7
85.02838	3.2
85.06441	0.7
86.09622	19.1
87.09961	0.9
88.03916	3.8
91.05405	3.1
93.03374	0.9
95.04906	9.4
95.06001	0.6
95.08516	1.0
96.04459	1.0
97.02834	3.8
97.06430	0.9
98.05975	1.0
98.43113	0.7
99.04421	0.7
101.07049	0.8
102.05446	1.3
105.03327	2.8
105.06960	0.9
107.04878	6.0
108.97411	3.2
109.02831	3.8
109.06455	3.8
109.10073	1.0
110.07104	7.7
111.00745	3.5
111.02639	2.7
111.04379	5.5
112.08677	0.8
115.03804	1.1
116.07053	1.1
119.08511	0.9
119.23097	0.8
120.01131	0.8
120.08055	7.3
121.02042	1.1
121.02799	8.0
121.10068	0.7
123.02625	3.3
123.04363	4.5
125.51517	0.7
126.05396	0.8
127.02101	0.8
127.03875	6.2
129.10202	11.0
130.06543	0.7
131.04846	1.1
133.02811	26.3
135.04390	3.2
136.07558	3.4
137.00528	1.6
137.05963	11.7
139.02103	5.1
139.03836	5.3
139.11143	3.1
141.10147	1.0
143.11780	1.3
149.00497	3.3
149.02315	33.3
151.02089	8.2
151.03859	19.7
152.04187	0.9
153.01802	100.0
154.02187	3.1
154.97949	20.7
161.05998	1.0
163.02074	0.9
163.03900	1.0
164.04660	3.1
165.00031	7.0
165.01717	0.8
165.05420	13.1
166.06215	42.7
167.01590	27.3
167.03326	9.4
167.06876	1.5
169.03140	3.8
171.02863	9.6
172.98988	4.6
173.00407	0.8
173.05881	1.1
177.01834	2.8
178.00865	1.2
179.01578	3.0
180.04698	0.7
181.03212	1.5
182.97435	3.5
183.01186	5.0
183.98183	1.0
184.99008	3.4
185.05888	1.6
189.00026	1.1
191.01588	2.8
193.03192	10.5
195.01160	1.5
195.02785	8.7
197.02679	5.9
198.03502	1.3
200.04570	1.0
200.98473	14.3
201.03685	1.1
201.05475	3.4
203.01546	1.2
209.02614	4.3
213.05467	3.7
218.00304	1.5
219.01120	4.1
220.01746	0.7
221.02644	2.9
223.00528	1.5
223.13354	1.0
229.03194	0.8
229.04968	10.1
229.13274	1.0
232.01822	1.1
233.02663	14.0
241.04910	3.7
241.14198	0.8
242.05737	1.6
243.01089	3.3
245.02647	4.0
247.00511	8.2
248.01384	5.6
257.04422	4.5
261.02127	13.7
263.03687	4.1
265.01633	0.9
269.02521	4.1
271.00629	3.6
272.01263	0.8
273.02008	0.9
275.03653	13.9
286.07376	3.2
289.01691	1.8
289.15433	0.8
296.64816	0.8
297.01920	0.8
303.03223	9.0
317.01038	1.3
325.01483	1.2
331.02670	11.6
349.03699	47.7
350.04099	0.8
357.04196	4.6
367.04782	17.2
375.05093	5.6
385.03659	3.5
392.07843	0.9
403.04410	2.6
421.05826	25.3
438.08496	15.0
438.25894	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	438.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03371	4.7
58.79878	0.4
59.04901	0.5
61.02842	0.6
68.04935	0.8
69.03009	0.7
69.03345	14.8
70.06494	0.8
70.94836	0.5
72.08062	0.5
73.02843	0.7
75.04381	0.8
80.67184	0.4
81.03344	0.9
84.08086	0.5
85.01080	0.9
85.02818	21.4
87.04382	5.8
97.02823	8.2
98.00562	2.8
99.02596	2.3
109.02833	2.0
113.02888	2.1
115.03865	2.9
120.08068	1.1
126.03690	21.4
127.03733	0.8
127.04530	2.0
133.04977	0.8
144.04752	100.0
145.04953	0.8
146.10133	0.5
186.05811	2.8
306.09979	35.8
320.79758	0.6
346.54202	0.6
438.14133	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	438.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05460	9.5
56.04979	15.0
57.03363	2.1
57.80798	1.4
58.06532	2.9
60.04434	2.1
62.18397	1.5
67.05418	3.5
69.03349	4.0
69.06983	7.9
70.06509	81.1
71.04910	9.1
71.06844	3.2
71.93976	1.8
72.08073	27.9
74.05993	8.9
76.02131	2.4
79.05389	1.7
81.06966	11.1
83.06034	3.0
84.04433	32.7
84.08068	53.7
84.41999	1.7
85.01052	4.3
85.02817	13.1
86.09626	63.8
87.09984	4.0
88.03904	3.9
91.05412	11.3
93.06965	3.8
94.06482	2.4
95.06015	2.7
95.08510	3.8
97.06442	2.3
97.10110	2.0
98.06008	1.8
102.03712	4.4
102.05495	7.9
103.05373	2.9
104.05258	2.5
105.07018	2.8
106.06518	7.5
107.04897	2.4
107.07302	3.1
107.08575	3.1
108.08061	23.1
110.05996	10.5
110.07119	23.4
112.08640	3.5
112.56474	1.6
115.08627	2.9
116.09846	1.8
119.05017	1.6
119.08559	3.8
120.08053	44.8
120.08831	3.1
121.06433	1.9
121.08391	1.9
124.07506	2.4
127.38055	1.9
128.08978	1.9
129.10214	22.5
130.04982	3.0
131.01598	2.0
131.04924	3.3
132.08063	3.3
134.06001	8.1
136.07561	18.9
137.06041	2.9
139.03920	1.9
140.10721	3.2
147.07935	1.9
148.07574	14.5
152.07040	19.8
155.08205	2.0
156.81595	1.9
156.82910	1.7
156.88565	1.9
158.09628	3.2
159.09166	3.0
160.11285	2.3
162.51096	1.8
163.07501	2.0
166.08620	14.9
168.10196	2.6
168.63069	1.7
173.60240	2.5
174.09128	2.8
176.10649	2.4
176.52124	1.6
182.15479	4.0
184.11169	3.1
189.12277	2.1
196.65903	1.7
201.10246	2.2
201.13922	4.2
210.14687	2.5
212.10661	9.2
214.10965	7.8
215.11694	1.6
217.10982	3.1
226.12224	12.4
227.11691	2.8
229.13326	100.0
231.11295	2.2
237.02739	3.1
240.09027	1.9
257.12564	4.2
271.14420	23.3
289.15384	71.2
290.15820	2.5
299.13715	3.4
317.14896	24.8
344.97119	1.8
394.27032	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	438.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04438	1.1
53.00251	1.2
55.05445	2.0
57.06738	2.5
57.07006	64.1
69.06955	2.4
70.31743	1.2
71.08181	2.2
71.08543	44.2
76.75275	1.5
85.10095	24.4
87.04362	1.6
89.05946	100.0
97.10103	1.3
99.11658	1.5
100.55729	1.6
107.06996	3.3
118.50159	1.3
133.08569	38.7
140.42215	1.3
144.74371	1.4
151.09618	1.9
177.11174	6.1
195.12230	1.6
214.29950	1.3
239.14832	45.8
333.09821	1.4
421.35031	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	1.9
56.04966	2.0
56.96512	0.4
60.04443	0.5
61.01053	0.5
67.05406	0.6
69.03349	0.7
69.06976	0.4
70.06499	8.3
72.08066	7.4
74.05991	0.7
81.03294	0.4
84.04413	4.2
84.08064	7.9
84.26972	0.4
85.02827	0.9
85.74500	0.4
86.09621	7.1
86.44572	0.5
88.03895	1.9
91.05403	0.7
93.06985	0.5
96.60903	0.4
101.07114	0.4
104.05270	0.8
109.10091	0.9
110.07091	4.3
115.08631	0.4
120.08051	2.7
124.03914	1.8
127.00216	0.5
129.10182	3.6
130.08620	0.5
136.07547	0.9
143.11810	0.6
153.01814	0.5
159.09157	0.7
172.81662	0.4
194.96928	0.5
199.11423	0.4
229.13327	1.9
230.13637	1.0
289.15472	0.9
290.15619	1.8
307.11313	0.7
439.15643	100.0
440.16141	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27282	1.2
50.78239	1.0
53.03878	1.8
53.28331	1.0
54.05654	1.1
55.01807	2.9
55.05440	1.5
56.04959	6.5
57.03364	7.6
60.04445	5.5
61.02851	9.7
66.99505	1.2
67.05418	1.3
69.03347	24.1
69.06979	1.7
70.06506	34.9
71.04893	2.8
72.08073	17.7
73.02829	2.1
74.02348	2.5
74.05993	3.1
78.62466	1.2
79.05424	1.3
81.03316	10.1
83.06021	2.4
84.04426	20.3
84.08064	29.4
85.02435	1.7
85.02824	45.0
85.08385	1.5
86.05976	1.4
86.09623	20.5
87.04403	2.6
87.05516	1.8
88.03911	1.6
90.05465	2.9
91.05392	1.7
91.20596	1.4
94.35659	1.2
96.04395	1.5
97.02826	18.9
102.05457	5.8
105.06946	1.7
109.02823	2.8
110.07108	42.5
115.08615	2.0
116.07034	1.7
118.06480	7.6
120.08122	8.9
127.03883	6.4
127.07488	10.5
129.10184	13.8
130.04985	2.1
130.06488	29.5
130.08594	1.5
132.08012	2.3
134.99594	1.6
136.07570	2.6
137.05869	1.4
143.07355	4.4
144.08044	33.4
146.05965	26.2
147.28531	1.4
148.05919	1.7
154.06531	2.9
156.07964	7.4
158.09599	31.9
159.09070	2.0
160.07518	1.3
167.07059	13.7
168.08055	72.5
169.07440	1.4
170.05969	6.6
170.09616	3.1
171.11211	1.5
172.07555	10.3
180.08040	3.1
182.05939	4.7
182.08403	1.6
183.09120	2.7
184.07506	3.0
185.10735	1.9
185.50308	1.5
186.09093	100.0
188.07013	27.8
195.09120	34.4
196.07565	9.6
197.08295	1.4
197.10672	2.1
213.10141	5.3
214.08633	2.6
223.08678	2.0
223.13251	2.5
224.07011	8.3
229.09613	1.9
231.10962	1.4
234.98683	4.9
241.09668	18.6
242.08026	17.5
255.27895	1.3
259.10709	19.4
277.11771	81.0
277.53091	1.5
289.66974	1.5
303.09991	2.4
403.19968	1.3
439.11136	2.5
439.16852	17.4
439.21863	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05436	1.6
56.04970	1.0
57.07019	0.7
61.80210	0.8
67.05418	1.5
67.51629	0.8
67.66536	0.7
69.03333	1.9
69.06980	1.1
69.50275	0.7
69.60321	0.7
70.06187	0.8
70.06508	11.8
72.08048	4.1
73.61777	0.6
77.26000	0.7
79.05375	1.1
81.06937	1.2
84.04430	1.7
84.08082	5.6
85.02793	4.3
85.06461	1.3
86.09621	6.8
91.05396	1.5
95.08517	1.5
97.02788	1.1
98.09600	0.9
105.06913	1.0
107.08566	0.9
109.10093	1.0
110.07088	3.2
116.98550	1.1
117.06902	1.1
120.08068	6.2
129.10159	1.9
135.08015	1.0
137.05937	1.2
139.11145	0.9
142.12270	1.5
165.09029	3.0
167.06950	1.2
175.07405	1.8
193.05124	0.9
203.05157	0.9
210.14787	0.8
263.49963	0.8
277.14185	9.2
329.87372	0.8
395.20151	1.2
439.19089	100.0
440.19333	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	439.2298
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
52.48733	1.8
54.37768	1.7
55.05445	10.4
57.03384	1.9
58.41824	1.6
63.68777	1.9
67.05408	2.7
69.03371	2.3
69.06966	3.1
70.06504	11.4
72.08064	7.7
73.02797	2.1
81.06985	2.5
84.08067	13.0
85.02809	3.1
85.58826	1.9
86.09634	15.7
93.07008	2.2
95.08472	2.1
100.11232	3.5
105.06916	2.3
120.08030	8.1
129.10153	3.6
137.05966	2.9
165.09100	4.2
166.57684	2.2
203.05261	2.6
238.25873	2.2
259.16565	2.3
369.18604	4.8
417.87738	2.8
439.09842	8.6
439.17343	4.5
439.22906	100.0
440.23828	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	439.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05226	1.2
55.05450	13.4
57.06989	6.3
67.05434	19.4
69.06988	31.9
76.56386	1.2
79.05409	19.7
81.06976	100.0
81.49023	1.2
83.04861	1.1
83.08533	2.0
89.05949	30.6
90.06287	2.2
91.05403	7.3
92.22088	1.2
93.06974	24.8
95.04882	1.5
95.08524	45.0
97.06417	1.6
105.06986	12.4
107.08536	25.5
109.06426	3.3
109.10123	18.8
118.86392	1.4
119.08506	9.5
121.10088	18.7
123.07996	1.9
123.11642	10.3
124.75822	1.4
131.08524	3.2
133.08560	10.5
133.10098	5.3
135.08003	5.3
135.11642	7.7
137.05914	2.4
137.09575	5.9
137.13197	5.5
142.07722	1.5
143.08571	1.8
145.10129	2.1
147.11649	3.1
149.09608	5.7
149.13237	8.7
151.07500	7.2
155.14038	1.3
159.11653	5.5
163.07492	7.2
163.14760	2.0
165.09085	33.8
173.13219	1.8
175.07526	2.3
177.09064	2.2
179.06981	1.6
179.10574	2.0
187.11143	3.2
189.08995	2.2
189.12715	2.6
191.10686	1.6
192.68918	1.6
203.10544	7.5
205.12180	5.7
215.10660	1.7
217.12166	1.6
239.14920	13.5
240.15079	2.1
289.17953	2.2
315.00659	1.6
421.30753	2.1
439.31772	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	439.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21917	1.9
53.03895	2.5
55.05445	10.4
57.07003	11.3
62.08646	2.2
67.05421	18.5
69.06981	33.4
79.05399	16.7
81.06507	5.2
81.06968	100.0
83.04869	2.4
83.08507	3.5
89.05951	55.6
91.05396	10.0
91.51130	1.9
91.68727	2.7
92.10252	5.4
93.06969	37.6
95.08534	49.6
105.06956	13.6
107.08527	23.0
109.10110	25.5
117.21636	2.6
119.08507	12.1
120.11978	2.6
121.10093	30.6
123.07978	2.9
123.11648	3.3
133.08594	18.4
133.10078	5.1
134.08882	2.4
135.08029	3.2
135.11668	10.8
136.56268	2.3
137.09633	3.3
137.13216	3.6
145.10107	2.6
147.11674	4.6
149.09563	2.5
149.13266	10.5
151.07593	3.3
165.09065	10.6
167.06987	3.7
171.11674	2.8
191.17914	2.9
205.12138	4.5
219.13704	2.9
239.14798	24.1
240.15208	9.4
411.32050	3.3
421.31000	3.9
439.31854	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	439.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00248	2.3
53.82312	1.6
55.05437	9.4
57.07006	3.3
59.11084	2.0
63.35218	1.8
64.23646	1.7
67.05119	1.7
67.05413	15.9
69.06984	26.7
71.04883	1.6
76.56513	1.9
76.59629	1.5
79.05406	13.8
81.06974	100.0
81.19666	1.9
83.04876	1.9
89.05953	33.7
91.05425	3.4
92.10974	4.0
93.06958	26.0
95.08537	38.0
97.10085	2.0
105.06979	4.4
107.08519	18.9
109.10096	19.7
119.08514	8.0
121.10092	24.9
123.07978	2.1
123.11651	12.1
133.08548	8.7
133.10117	3.7
135.08101	2.5
135.11618	7.5
137.09599	2.9
145.10100	2.1
147.11682	3.1
149.13231	4.2
159.11705	2.2
161.13271	2.3
163.14604	2.5
165.09079	3.5
167.06961	2.6
173.13155	1.9
177.12570	1.9
177.42938	1.9
205.47662	1.9
239.14848	14.5
240.15134	7.7
289.17865	7.7
307.88623	2.3
411.32559	2.5
439.32034	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	439.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00229	1.9
55.05455	13.1
57.07014	3.3
62.69664	1.6
65.04928	1.6
67.05424	18.4
69.06987	57.3
79.05414	16.3
81.06973	100.0
82.07224	1.7
83.08535	2.1
85.06056	1.5
89.05946	31.5
91.05387	7.5
93.06963	27.6
95.04881	1.8
95.08530	44.2
105.06967	19.0
107.06931	1.9
107.08516	16.5
109.10097	19.7
109.15604	2.1
117.06967	1.8
119.08503	14.6
121.10070	17.6
123.11630	3.4
131.08525	4.2
133.08551	10.8
133.10045	3.3
134.15941	2.0
135.07980	7.4
135.11632	4.2
137.05922	2.0
137.09621	3.6
137.13240	3.2
145.10080	7.3
147.11618	2.8
149.09610	2.5
149.13225	4.2
151.07481	8.6
159.11661	3.1
165.09055	30.7
171.11621	1.9
173.09579	2.6
173.13260	2.2
187.11183	2.4
189.09035	10.4
192.57286	1.9
201.09074	2.3
201.12668	2.6
203.10680	10.0
205.12251	12.3
211.07550	2.0
215.10672	3.3
217.12070	2.0
226.09833	3.0
229.12207	3.1
239.14835	14.9
240.11237	3.1
241.12210	3.9
243.13754	9.5
269.15335	2.6
269.18304	2.1
271.16837	7.9
283.16858	3.2
402.45575	1.8
407.10327	2.2
421.30725	20.5
439.32034	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	439.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	6.8
57.07002	4.9
61.02332	4.4
67.05421	8.6
69.03348	6.0
69.06976	23.4
72.29002	4.6
73.70307	5.0
75.52126	4.6
79.05397	9.7
81.06977	50.1
83.08515	21.0
85.46680	5.0
87.29556	4.7
91.05397	10.3
93.06974	41.4
95.04894	5.2
95.08543	53.1
98.97478	7.0
105.06969	52.4
107.08526	82.9
109.10107	28.7
116.98520	12.1
117.06956	6.6
119.08527	48.9
121.10111	61.2
123.11711	6.2
126.00163	5.3
131.08513	74.5
133.10100	73.6
134.99590	8.4
135.11644	30.3
145.10118	68.7
147.11665	48.0
149.13242	19.0
159.11613	55.4
161.13179	25.0
163.11163	12.3
165.09068	25.3
171.11603	10.1
173.13206	32.6
175.14748	59.1
177.16371	42.0
187.14757	96.3
189.16330	21.2
193.14925	6.5
203.14220	5.4
205.12201	5.5
205.15857	100.0
233.15361	34.1
357.05652	5.0
393.31476	60.7
439.31897	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	439.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05448	16.6
57.07008	12.5
62.40443	1.9
64.49707	2.3
67.05429	24.0
69.06989	29.7
79.05381	20.5
80.51799	2.6
81.06978	100.0
83.08542	9.8
86.09628	10.3
88.07552	12.3
89.05954	63.2
90.06300	6.2
91.05373	5.2
93.06980	46.8
95.08529	52.6
97.10136	3.0
105.06992	20.2
107.08550	40.5
109.10099	30.9
119.08538	18.2
121.10104	41.9
123.08006	2.7
123.11636	18.5
133.08569	22.5
133.10104	12.2
135.08011	3.5
135.11665	21.6
137.05945	4.1
137.13249	10.2
139.07533	3.4
145.10143	3.7
147.11671	12.2
149.13243	22.0
159.11748	3.2
161.13264	3.6
163.14760	5.0
163.56140	2.4
165.09145	11.5
167.06996	10.1
171.11679	2.4
189.16403	4.6
191.17842	10.3
201.16321	2.6
203.17961	15.6
239.14856	34.0
240.15067	9.6
289.18286	2.6
370.96951	2.7
398.23447	3.6
411.32376	3.6
439.31366	18.6
445.39340	3.1
462.85532	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12948	2.6
55.01783	2.8
55.05436	16.6
57.07003	23.9
60.10781	2.1
65.16228	2.2
67.05424	33.9
69.06990	32.0
71.08533	10.9
79.05405	29.2
81.06976	61.4
83.04873	4.0
83.08514	14.6
85.10109	3.0
89.05949	63.7
90.06280	5.6
91.05373	14.4
93.06973	42.5
95.08530	100.0
97.06487	3.2
97.10096	5.1
105.06970	30.1
107.08530	56.0
109.10118	47.3
111.04380	5.6
117.06983	4.8
119.08531	57.9
119.75697	2.7
121.10081	59.2
123.11659	21.2
131.08507	16.1
133.08556	20.8
133.10075	32.1
134.08913	3.3
135.08142	3.2
135.11633	37.6
137.13222	36.7
144.39398	2.8
145.10081	16.6
147.11658	32.6
149.13235	20.9
153.09105	3.6
159.11621	11.5
161.13235	24.0
163.14746	18.9
165.09056	14.4
171.11638	4.8
173.13210	15.3
175.14769	15.0
187.14760	17.5
189.16357	31.6
191.17841	20.5
201.16350	12.5
203.17921	41.0
205.12187	6.2
205.19342	4.0
217.19431	3.0
228.39014	3.6
239.14848	31.3
240.15135	12.1
245.22537	22.3
249.18365	4.6
257.22513	12.1
385.30890	5.7
393.35013	14.8
403.31848	29.5
439.35828	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	439.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09239	1.0
51.62121	1.1
53.00237	1.3
53.03877	2.1
55.05445	16.6
57.03354	1.6
57.07002	7.5
59.04932	2.3
61.28935	1.2
67.05424	23.2
69.06983	40.2
79.05406	16.2
81.06971	48.9
83.04917	1.4
83.08527	7.5
89.05948	25.7
90.06285	2.4
91.05392	15.5
93.06969	36.0
94.30222	1.2
95.08530	61.7
97.06462	1.6
97.10092	2.8
104.05070	1.5
105.06978	33.1
105.17164	1.5
107.08529	40.9
109.06474	1.8
109.09393	2.9
109.10099	42.6
114.37455	1.4
115.05421	1.4
117.07006	1.7
119.08529	41.0
119.09338	2.5
121.06464	3.4
121.10085	34.1
122.07256	2.0
123.08026	2.1
123.11674	8.9
129.06949	2.1
131.08499	10.9
133.08583	9.3
133.10094	33.6
134.08888	1.6
135.08032	2.5
135.11671	20.8
136.08829	5.8
137.09596	20.8
137.13222	7.0
139.07486	5.8
139.11214	1.8
143.08539	1.4
145.10074	10.6
147.11670	34.0
149.09598	8.7
149.13249	11.1
151.07527	3.0
152.08350	1.6
153.09081	2.1
159.11674	7.0
160.12163	1.3
161.09598	2.2
161.13239	18.4
163.14786	2.4
164.08299	9.0
165.07671	3.3
165.09064	100.0
167.10583	1.5
171.11702	2.3
173.13254	5.2
174.10474	2.3
175.11133	2.8
175.14836	9.3
177.09036	3.1
177.16383	1.7
179.10603	1.8
185.13135	2.6
187.11130	1.6
187.14746	5.6
189.09027	7.3
189.16370	24.0
191.17923	26.4
199.66423	1.5
201.16385	3.0
202.09756	1.9
203.10646	15.4
203.17905	67.2
205.12125	9.7
205.19452	3.2
215.18011	1.9
216.11502	3.0
217.12180	2.0
221.18950	2.7
229.12311	2.3
231.13750	8.7
239.14870	14.5
240.15166	5.5
243.21082	1.5
249.18407	7.8
255.13712	1.5
255.20972	1.6
278.85910	1.8
297.39774	1.5
305.89474	1.3
350.24142	1.8
387.60349	1.4
388.88016	1.5
403.80701	1.4
439.36224	15.2
440.32751	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	440.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01811	2.4
55.05439	10.4
56.04973	96.6
56.96494	2.9
59.42381	1.6
60.04440	10.4
60.05561	1.7
61.01080	47.5
61.02822	2.4
67.05424	4.0
68.04932	2.8
69.03332	12.1
69.06973	7.8
69.34647	1.7
70.06141	3.4
70.06508	94.0
71.04890	2.7
71.06822	4.2
72.07712	3.0
72.08070	44.3
74.05972	11.4
79.05392	4.1
81.03325	3.5
81.06960	2.9
81.35493	1.8
82.02846	8.2
83.06027	2.5
84.03948	3.9
84.04426	88.5
84.08064	87.0
85.02436	1.4
85.02832	20.6
85.08372	2.0
86.09623	41.0
87.02634	2.5
88.03905	4.2
91.05407	24.9
93.06957	4.0
94.06495	15.6
95.04906	17.8
95.05978	2.6
95.08536	3.1
97.02814	4.3
98.97507	4.3
99.04367	2.0
100.03888	3.9
102.05473	25.0
104.05260	93.9
105.06980	7.8
107.04885	10.8
107.08511	7.4
110.02354	31.2
110.07112	30.8
112.08669	7.7
113.07077	3.3
115.08643	2.6
116.07037	4.5
116.98567	4.3
119.04896	32.0
119.08514	9.0
120.08051	9.5
121.06456	3.8
121.10148	2.2
122.05959	8.7
123.04371	51.6
127.03876	2.8
129.10188	33.6
130.04956	3.2
130.06508	3.1
131.04906	3.6
132.08032	2.9
133.03156	55.0
133.10085	3.2
134.05969	23.0
134.99667	3.1
135.06766	14.3
135.11664	2.4
136.07545	45.7
137.05925	11.1
137.07072	8.9
145.06409	2.4
146.99551	2.7
147.04381	17.0
150.05812	70.1
151.03891	3.6
152.00893	1.9
155.06993	2.7
157.06395	2.8
159.04375	2.4
161.13171	8.4
165.05406	12.4
165.06613	15.4
167.06902	2.1
172.07544	28.7
175.08667	2.0
175.11948	2.0
183.07591	11.0
188.06966	16.2
193.04907	7.5
199.06064	2.3
200.07013	14.3
202.17944	2.0
204.06479	2.9
207.13762	8.6
211.07205	15.9
215.71674	2.1
217.09647	11.5
225.14796	11.9
225.76801	2.6
237.02766	2.2
243.15865	4.3
259.07535	2.8
263.10175	4.2
279.03836	2.1
300.13300	23.6
335.09476	19.7
346.13846	18.9
348.13739	4.7
376.13370	2.1
392.94260	1.9
394.14230	100.0
418.07315	2.2
422.13870	2.9
423.11957	8.2
440.14706	58.8
441.13284	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	440.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76919	0.5
56.96509	0.8
58.45480	0.6
65.95617	0.7
66.43017	0.6
67.05437	0.7
69.06983	1.1
79.05371	0.8
81.06962	1.6
83.94792	0.7
91.05350	1.0
91.47952	0.7
92.64266	1.2
93.06953	1.0
95.08504	2.9
98.97526	0.9
99.19501	0.7
105.06952	10.9
107.08513	1.4
112.63903	0.9
116.98560	1.8
119.01870	5.9
119.08514	3.1
121.06434	5.1
121.10108	1.1
131.08510	7.6
134.99634	1.5
137.02901	2.8
143.08554	1.2
145.10077	5.5
153.00685	1.0
156.60974	0.7
157.10048	1.6
159.04982	1.7
159.11658	4.3
169.10052	0.8
171.04991	1.6
171.11665	1.2
185.13132	0.8
189.06046	8.0
197.06561	1.8
200.87965	0.9
213.16406	1.2
219.01617	0.9
221.06485	7.2
223.07932	1.0
235.08017	1.2
245.84785	0.7
277.32602	0.9
287.14609	1.4
301.12915	1.0
313.16278	3.1
339.17938	1.0
355.17371	0.9
357.18784	1.8
381.18860	1.1
399.19864	8.9
417.21097	100.0
418.21216	6.6
440.22525	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	440.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32617	1.0
53.00248	2.5
53.03893	1.7
54.81810	1.1
55.01813	2.4
55.05450	15.7
56.96485	1.4
57.03371	33.5
59.04923	5.9
60.04448	2.0
61.02845	2.7
66.93223	1.1
67.05422	2.5
69.03349	100.0
69.06985	55.4
70.06508	8.1
71.04910	2.0
72.08043	1.2
73.02824	4.8
75.04384	11.2
81.03326	6.9
81.06956	2.9
83.04888	2.7
85.02826	88.7
86.09617	5.1
87.04391	51.1
91.05406	2.8
93.06954	1.6
95.08515	1.4
97.02226	2.3
97.02821	63.5
98.97507	5.9
100.11185	2.5
103.03879	2.0
105.06987	1.7
107.08591	1.0
109.02817	5.9
109.06474	1.2
110.97483	1.3
111.04372	2.3
111.11649	15.3
115.03879	56.1
116.98544	8.1
119.08532	1.5
120.08021	1.3
121.10109	1.2
127.03872	12.3
128.98561	2.1
133.04929	50.3
134.99614	5.7
137.05920	1.2
145.04973	10.5
145.05940	1.1
146.99623	2.5
150.07571	7.9
153.12746	1.3
158.99637	1.6
163.06068	3.9
167.06891	1.4
169.18858	1.1
169.50458	1.1
177.00664	6.2
179.58797	1.1
182.15318	1.3
189.00607	1.9
189.12834	1.4
201.00739	5.0
219.01700	2.7
237.02925	1.4
243.15767	1.9
259.08157	2.0
261.02805	1.7
263.80084	1.5
277.09042	1.3
279.03867	2.1
295.10226	4.2
321.04688	2.4
440.23605	2.1
441.08749	1.7
441.24548	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	440.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05437	5.1
57.06995	4.9
66.27843	3.9
67.05415	9.4
67.29586	4.1
68.93600	3.7
69.06977	10.3
79.05375	8.4
81.06961	25.0
86.19431	4.4
89.05945	7.4
91.05367	10.0
92.10369	4.6
93.06978	36.2
95.08533	9.2
99.32373	4.1
105.06947	9.1
107.08501	31.8
109.10063	19.0
109.22340	3.7
113.69552	3.7
119.01839	3.9
119.08472	7.8
121.06411	4.2
121.10044	5.7
133.08549	5.2
133.10060	9.6
135.11636	8.8
137.09604	19.7
147.11603	7.7
164.08298	24.6
165.09071	100.0
166.09460	7.0
203.10631	25.4
205.12224	10.5
229.40283	5.0
232.11589	4.2
232.14288	4.4
422.31879	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	440.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81441	1.9
55.05441	8.3
57.07001	3.0
63.03541	1.7
63.06847	1.2
67.05418	10.3
69.03341	1.6
69.06660	1.4
69.06967	13.7
71.39561	1.4
79.05389	2.4
81.06963	18.0
82.07321	1.4
83.08528	3.1
89.05930	12.8
91.05405	7.6
92.10950	1.4
93.06950	12.5
94.07281	1.9
95.08530	16.6
97.10087	1.5
99.76738	1.6
105.06955	15.7
106.50294	1.4
107.08549	11.7
107.91171	1.6
109.10102	15.5
117.20789	1.4
119.08536	15.1
120.08855	1.7
121.06430	10.2
121.10101	9.2
122.07186	1.9
131.08492	1.7
133.10117	7.6
135.08011	2.6
135.11671	8.2
136.08807	9.8
137.09586	21.0
145.10162	2.0
147.11653	9.3
149.09564	2.2
161.13199	6.0
164.08316	19.4
165.09067	100.0
166.09488	6.2
173.13049	1.7
177.09059	1.8
189.09039	1.8
189.16391	7.5
190.09790	1.8
191.17967	2.7
192.18147	2.0
203.10576	20.9
203.17961	9.1
204.11221	2.0
204.18274	2.4
205.12187	10.3
217.12149	2.0
218.41229	1.5
239.14835	2.1
240.15222	1.9
270.79211	1.5
275.62329	1.5
380.17886	1.7
435.58759	2.0
440.32379	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	441.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	12.3
56.04960	9.2
56.38093	2.1
56.96490	4.6
57.03357	3.8
58.06485	2.0
60.04441	9.0
67.05418	4.8
69.03349	9.4
69.06968	9.7
70.02853	4.6
70.06502	100.0
71.04893	9.2
71.06845	3.1
72.08066	29.4
74.05982	4.9
79.05391	2.9
81.06945	3.4
83.04874	2.1
84.04424	36.0
84.08060	70.1
85.02824	15.6
85.08384	2.7
86.09624	44.5
87.10015	2.2
88.03896	4.6
91.05403	18.1
93.06973	3.8
95.04874	2.5
95.05981	2.3
95.08514	4.3
96.24169	2.1
97.02816	4.1
98.97516	10.9
101.07092	2.0
102.05481	10.1
103.05394	10.2
105.06981	3.0
107.08518	4.8
109.06443	5.1
110.07095	27.7
111.08036	2.7
112.08644	3.3
112.31720	2.1
113.07098	2.7
116.07026	2.7
116.98605	16.4
119.04905	2.0
119.08437	2.3
120.08064	25.7
121.06418	7.2
121.10061	3.1
125.05945	3.3
127.07486	2.6
128.98586	2.1
129.10184	27.1
130.06537	2.1
131.04877	16.9
133.10075	2.6
134.99625	9.7
136.07539	10.3
137.06046	2.0
139.11147	2.5
147.11618	4.0
149.27126	2.5
156.07578	2.5
158.99561	3.8
177.00665	11.4
185.08905	2.3
189.00644	3.4
199.13228	8.4
201.00700	2.5
202.30101	2.5
219.01662	4.2
222.01968	3.5
225.14912	4.7
227.11926	2.5
237.02736	8.5
240.02995	4.2
241.09583	4.0
255.11172	3.5
256.11594	2.7
261.02548	3.4
261.14828	2.9
279.15887	3.9
284.11044	3.0
301.11743	4.1
321.05066	2.4
422.13550	2.7
423.13873	4.6
441.11417	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01797	3.0
55.05420	7.2
56.04973	14.7
56.96484	2.3
57.03355	8.3
60.04434	2.8
61.01057	2.9
61.02837	3.2
67.65245	1.4
68.16245	1.3
69.03342	23.8
69.06963	2.3
70.06508	68.2
71.04911	2.1
72.08072	26.0
73.02813	2.9
73.77142	1.3
74.05970	3.2
75.05482	1.5
81.03296	3.0
81.06918	2.1
83.04906	2.5
83.06026	2.9
84.04424	26.0
84.07614	1.8
84.08066	39.5
84.66174	1.5
85.02828	39.9
85.08372	2.8
86.09635	17.8
86.10073	2.3
87.04394	1.5
87.05485	1.6
88.03916	2.2
91.05389	6.6
92.10726	3.1
95.04837	2.6
97.02837	14.5
98.97484	9.8
99.04359	3.3
101.02312	2.4
102.05450	6.8
103.05363	2.1
104.05214	8.6
106.04817	1.9
107.04855	3.0
109.02811	3.2
110.07121	24.4
110.97446	1.8
112.08652	2.5
113.09537	3.3
115.03841	2.0
115.08624	3.0
116.07024	2.4
116.98559	11.5
119.04891	2.8
119.08524	1.9
120.08038	3.9
123.04369	2.3
127.03876	21.8
128.98528	6.6
129.10201	20.4
130.53381	1.6
131.04883	1.7
133.02982	3.5
133.04907	1.8
134.99590	5.8
136.07478	6.9
137.05916	6.1
142.14612	1.8
145.04877	9.4
146.99561	6.3
147.04338	2.2
150.05702	3.2
153.01830	2.2
153.96483	1.7
175.82019	1.6
177.00525	3.5
189.00606	1.9
193.04948	16.7
201.00569	3.7
213.12372	2.6
219.01682	8.5
237.02652	3.7
261.02634	3.2
262.12686	8.2
275.07230	5.9
279.03806	3.2
288.86310	1.7
335.09421	100.0
394.13870	2.0
395.14185	2.8
406.29559	2.1
424.17670	1.9
441.13293	86.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1363
Annotation	Ginkgolide C
Peak:m/z	Relative Intensity
55.04370	0.5
55.05440	2.8
55.64111	0.4
56.04969	3.1
56.96484	0.7
57.03367	0.5
58.05838	0.4
60.04441	2.4
61.01057	0.5
61.02836	0.4
61.35305	0.5
67.05411	0.8
69.03326	1.0
69.06988	1.1
70.06505	28.2
70.06898	1.0
71.04896	0.6
71.06831	0.6
72.08063	10.9
74.05997	1.8
78.84721	0.5
79.05414	0.7
81.03330	0.5
81.06962	2.1
84.04421	10.8
84.08058	20.0
85.02827	3.5
85.06457	0.6
85.08382	1.0
86.09619	11.1
86.50719	0.4
87.04393	0.6
87.05511	0.8
88.03914	1.0
91.05393	1.1
92.67899	0.5
95.06069	0.6
95.08519	1.2
97.02831	1.0
97.10098	0.8
98.97506	3.2
102.05495	3.4
103.05383	1.0
105.06943	0.5
107.08543	0.7
107.09216	0.5
108.08910	0.5
110.07100	6.0
112.08641	0.8
113.07098	0.6
114.51388	0.5
116.07011	2.3
116.98598	3.3
119.04887	0.6
120.08069	3.4
121.10062	0.7
123.08012	0.6
126.05482	0.6
127.08638	0.7
128.98560	0.9
129.10170	8.1
130.04953	0.6
130.06493	1.1
131.04890	1.9
134.99649	1.9
136.07562	0.9
137.05940	0.6
139.08733	0.6
146.99629	1.0
147.11458	0.4
152.14223	0.5
155.08170	0.5
158.06065	0.5
158.99631	0.6
177.00673	0.9
183.11369	0.6
192.11043	0.4
201.00723	1.0
202.31146	0.5
208.02805	0.7
213.41504	0.6
219.01768	2.4
222.02028	0.8
237.02628	0.8
261.02625	0.5
317.05057	0.6
317.08249	4.9
321.04837	0.5
441.13547	100.0
442.13864	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1728
Annotation	HYDROCORTISONE PHOSPHATE
Peak:m/z	Relative Intensity
54.81896	0.4
55.01813	0.3
55.05440	1.0
55.59540	0.4
56.04969	1.0
57.03363	0.5
60.04447	0.9
60.05577	0.4
61.37193	0.3
62.06006	0.6
62.88408	0.4
66.88382	0.4
69.03344	3.3
69.06982	6.7
70.06138	0.6
70.06506	14.0
70.07281	0.4
71.06842	0.5
72.08066	4.5
74.05972	0.8
79.05421	0.5
83.01012	0.7
84.04424	3.9
84.08061	8.7
84.92135	0.4
85.02819	2.4
86.09620	9.4
86.10108	0.7
87.04402	1.7
88.03890	0.7
93.06974	0.6
95.01015	2.7
96.01799	0.6
97.02805	2.0
98.97543	0.4
102.05469	0.8
104.77322	0.4
110.07104	3.2
112.01276	0.5
113.02071	2.6
114.07809	0.4
115.03922	0.8
116.07037	0.7
119.01859	0.7
119.08489	0.4
120.08077	2.0
125.05920	1.9
125.06927	0.4
129.10204	5.6
136.07536	0.8
143.01886	0.8
145.03471	1.6
153.05447	3.7
153.06476	0.4
154.06235	0.5
155.01880	0.6
157.03488	0.5
157.04706	0.9
161.01292	0.4
161.02931	1.8
167.44698	0.5
173.02913	0.9
183.39061	0.4
185.02809	0.7
185.04196	4.5
185.07999	4.5
189.05290	0.6
198.54877	0.4
199.13263	0.8
201.03685	1.7
203.03899	1.0
204.07532	3.8
205.08292	0.5
213.12373	0.5
215.04103	0.5
221.05101	2.2
224.36046	0.4
259.08078	1.3
279.12018	1.7
281.10065	0.4
289.11371	0.6
307.59634	0.4
383.44800	0.4
401.28616	0.5
441.17203	100.0
442.17554	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	441.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82038	0.8
55.05443	3.2
56.04965	4.0
56.96501	1.8
57.03370	3.4
58.87189	0.7
59.37810	0.8
60.04463	1.3
69.03349	1.0
69.06989	1.9
70.06512	23.1
71.04897	1.2
72.08066	10.9
74.02354	1.3
74.06001	1.4
75.04410	0.8
78.76244	0.9
79.05375	0.9
81.06995	0.7
83.06013	1.5
84.04414	7.0
84.08065	20.8
85.02839	5.1
85.08358	0.7
86.09631	21.6
87.09990	1.1
88.03905	1.4
90.33366	0.7
91.05389	3.3
93.06947	1.5
95.06036	1.0
95.08514	1.0
98.97509	6.3
102.04624	1.3
103.05396	29.7
105.06979	8.4
107.08534	1.1
109.02859	1.0
110.07126	7.1
110.97556	1.0
115.05424	1.8
115.08675	1.4
116.07044	1.1
116.98561	7.5
120.08070	10.2
123.04363	1.3
124.07551	1.0
127.03883	1.0
128.98575	0.9
129.06969	3.0
129.10222	8.0
130.04108	7.7
130.04988	1.5
130.06480	11.5
131.04897	85.2
132.05229	1.0
132.08012	1.1
133.02803	1.2
133.06477	1.6
134.99632	4.6
136.07578	1.8
137.05963	15.9
143.07196	1.4
144.08064	100.0
145.08466	1.1
146.03592	0.8
146.99660	4.3
147.04391	2.0
148.05168	44.8
152.05551	0.8
154.06506	3.7
156.08084	6.8
156.53151	0.9
158.99579	1.8
160.05211	1.2
161.01237	1.1
161.05940	7.0
162.06662	1.9
163.07518	28.6
171.09120	1.5
175.07474	3.3
177.00700	5.6
180.08009	3.7
189.00751	1.2
193.04927	7.6
196.21243	1.0
200.07048	1.6
201.00667	3.9
207.01703	1.1
217.09717	13.4
218.09929	1.3
219.01715	6.7
237.02715	1.3
237.11211	7.3
237.14130	1.1
246.14893	4.2
246.64958	1.7
261.02798	1.8
279.03766	1.7
424.17471	14.9
441.08853	1.4
441.19901	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	441.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02537	0.3
53.12979	0.3
55.05452	0.5
56.04965	1.6
56.96493	0.8
57.03129	0.4
57.03375	4.4
61.01073	0.6
69.03336	0.8
69.06982	4.1
70.06142	0.5
70.06510	10.8
72.08073	4.3
74.05972	0.4
75.04398	0.5
79.05423	0.5
81.03310	0.5
81.15495	0.3
84.04430	3.0
84.08068	6.9
85.02822	1.6
86.09619	8.7
87.09954	0.5
91.05415	0.7
92.10296	0.4
95.04948	1.3
95.06015	0.4
98.06040	0.4
98.51632	0.4
98.97511	2.4
102.04616	2.3
102.05408	0.3
103.05404	41.7
104.05248	0.6
104.24316	0.4
105.06976	3.7
110.07098	2.5
112.08663	0.5
114.63445	0.4
115.05410	1.3
116.07045	0.6
116.98545	2.5
119.08589	0.4
120.08044	3.2
124.08546	0.4
128.98570	0.4
129.10194	2.9
129.12704	1.7
130.04123	9.1
131.04895	100.0
132.05232	1.6
133.06491	2.5
134.99643	1.4
136.07584	0.6
137.05960	0.5
139.03867	0.3
143.11725	0.4
144.08076	0.8
145.06474	0.6
146.99625	1.6
147.04379	0.9
148.05170	66.1
149.05499	1.5
157.06483	0.5
158.99634	0.4
160.05128	2.6
161.05933	7.7
162.06717	4.7
163.07512	39.8
170.99762	0.3
174.61942	0.4
175.07491	1.7
177.00671	1.7
183.14842	0.5
189.09088	0.4
201.00749	0.5
201.09004	0.8
204.07889	0.4
219.01770	0.9
219.10184	0.6
237.02802	0.6
237.11198	9.3
243.01665	0.5
257.06982	1.4
261.02689	1.3
279.03741	1.5
299.07990	0.5
309.19376	0.4
321.04922	0.6
405.09839	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95239	0.3
53.03878	2.1
54.81790	0.5
55.01815	3.2
55.05446	0.7
56.96503	2.1
57.03374	6.0
58.20219	0.4
59.18665	0.4
61.02854	11.3
64.13747	0.4
64.29354	0.4
65.65298	0.3
68.18720	0.4
69.03349	21.3
70.06491	0.6
71.04900	3.0
73.02841	4.2
73.06467	4.0
78.75272	0.4
81.03343	9.1
84.04451	0.5
85.02826	100.0
86.03137	0.4
86.09643	0.7
86.68465	0.4
87.04374	3.6
91.03876	5.9
95.04923	0.5
97.02821	27.2
98.97508	7.1
98.98120	0.5
98.98393	0.4
99.04367	4.2
109.02831	9.7
110.97502	1.0
113.05952	2.0
115.03901	0.4
116.98559	8.3
125.50444	0.4
127.03873	20.4
128.98570	2.8
131.07025	1.6
131.80212	0.4
134.99620	5.7
143.00148	0.7
145.04933	31.3
146.99646	4.6
149.01329	0.5
153.00711	0.6
158.99635	3.4
161.01202	2.8
163.05989	9.9
165.00645	0.7
170.99599	2.1
177.00644	6.3
182.99620	0.6
189.00627	4.1
201.00684	6.3
202.01100	0.7
207.01741	0.6
219.01720	6.4
235.11861	0.7
237.02747	3.8
237.11282	0.5
243.01810	0.7
261.02859	5.1
261.05231	0.6
262.12787	4.1
279.03763	4.3
291.03714	0.6
321.04825	2.8
325.11188	2.8
351.06247	0.6
441.09048	2.0
444.73376	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37087	1.8
55.05455	5.0
56.04962	3.2
56.96497	9.1
57.49128	2.4
59.06048	3.9
67.05419	3.1
69.03362	3.3
69.07000	2.3
70.06506	38.1
72.08057	10.1
79.05423	3.6
81.06963	5.3
84.04423	9.2
84.08064	25.4
84.40690	2.1
84.95961	3.1
85.02809	4.5
86.09631	22.6
88.03948	2.5
90.04868	1.8
91.05406	40.4
93.06968	5.4
95.08527	3.2
97.02813	2.4
98.09607	3.4
98.97507	27.0
100.11185	8.8
103.05370	3.7
105.06971	32.4
105.64322	2.5
107.08533	11.9
109.10107	2.3
110.07116	12.3
110.97548	3.6
111.04409	3.2
114.09124	2.9
116.98579	19.3
117.06944	3.6
119.08539	18.9
120.08067	18.1
121.06491	2.8
121.10002	2.7
128.06174	3.0
128.98567	11.1
129.06992	3.5
129.10124	3.5
131.04872	3.2
131.08533	44.1
133.06470	3.2
133.10092	3.9
134.99619	18.8
135.07993	3.7
143.00160	2.9
143.08575	20.5
145.10129	4.0
146.99620	14.8
147.07990	4.5
151.07564	3.6
155.08525	14.8
157.10085	19.6
158.99657	14.6
159.07985	9.9
159.11626	3.5
161.01204	8.5
161.96860	2.2
163.07478	18.2
169.10144	2.6
170.99663	10.4
171.11693	2.6
173.09631	4.5
173.13231	5.0
175.11165	5.5
177.00639	15.7
179.06996	2.4
182.15314	3.2
182.99556	2.7
183.11652	24.6
189.00645	11.0
197.13225	16.2
199.14854	4.7
201.00623	21.6
201.09114	9.6
201.12720	31.5
203.10570	3.6
210.14818	2.5
211.15198	3.0
215.14314	9.3
219.01678	23.2
223.01506	2.1
225.12807	4.5
237.02753	11.6
243.01738	3.6
243.13753	100.0
244.14272	2.9
248.92857	2.3
261.02719	14.1
261.14810	74.5
279.03851	13.4
321.04861	5.1
440.32849	2.9
441.08746	3.0
441.19189	10.3
441.24252	14.3
441.33633	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	441.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02330	0.9
51.08696	0.8
53.00214	0.9
55.01802	1.1
55.05439	4.6
56.04958	1.4
56.96486	5.2
57.03355	4.2
58.02892	2.2
60.04443	5.7
60.37599	0.9
61.01074	1.0
61.02855	1.5
67.05409	2.1
68.04955	0.9
69.03327	4.9
69.06987	14.9
70.02860	1.1
70.06502	16.1
71.04917	2.0
71.08531	1.4
72.04422	9.4
72.08043	4.0
76.56261	1.0
81.03317	1.6
81.06979	1.8
84.04413	4.0
84.08065	10.6
84.95945	1.6
85.02815	17.9
86.09623	53.6
87.04373	1.7
91.05407	2.1
91.11386	1.2
93.06969	1.7
93.92335	1.1
95.04926	1.2
95.08507	1.6
96.04400	4.2
97.02808	4.8
98.09592	2.4
98.97501	9.3
99.06774	1.2
100.11170	13.9
105.06943	2.3
107.08543	1.5
109.10099	1.6
110.07090	7.7
110.09634	1.7
110.97561	1.7
116.07066	1.7
116.98567	11.9
119.08509	1.6
120.08035	21.4
128.10664	100.0
128.98615	3.7
129.10191	4.4
133.04884	1.4
134.99608	9.4
135.76863	1.1
137.06146	1.2
143.00188	1.3
143.08560	1.1
144.08064	2.1
146.99605	7.5
153.00726	1.3
156.06544	1.2
158.99617	4.5
159.09135	1.3
161.01208	6.1
162.09032	1.4
164.10643	2.4
165.00769	1.6
166.08601	2.6
170.99577	1.0
177.00621	9.7
183.14841	1.1
189.00613	4.6
201.00714	8.1
208.09631	4.6
219.01691	8.6
230.13860	5.4
231.01624	1.3
237.02783	4.9
243.01831	1.3
244.09544	1.1
261.02676	5.8
275.17422	1.7
279.03806	5.3
279.16943	6.1
309.16656	1.1
321.05078	1.4
321.17981	31.6
357.18036	4.9
441.09268	1.5
441.19046	1.6
441.25278	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86577	1.6
54.14844	1.7
55.01809	2.4
55.05447	8.0
56.04960	3.2
57.43785	1.7
68.04942	3.4
69.03337	8.4
69.06985	7.9
79.05399	9.0
81.06966	2.5
83.04882	4.2
83.08540	3.2
84.04426	77.2
84.08060	2.3
85.02813	31.5
86.05994	18.4
91.05398	27.4
93.06959	11.0
94.06476	3.2
95.04854	3.2
95.08518	8.8
98.97503	5.0
101.07052	3.2
102.05472	11.4
105.06971	34.8
107.04887	7.7
107.08530	13.3
109.06490	2.9
111.07869	3.4
114.05457	3.6
115.84698	1.9
116.98577	3.0
117.06965	7.5
119.08516	33.0
120.55740	2.0
121.06445	13.8
121.10094	4.5
122.54403	2.1
128.06181	8.6
128.98553	3.4
129.06964	4.5
130.04962	100.0
131.04918	2.6
131.08508	8.4
132.05659	14.3
133.06403	2.7
133.10077	23.7
134.99628	4.7
135.08006	12.9
138.09081	8.4
141.06938	3.7
142.04947	3.3
143.08511	4.2
144.05656	3.2
145.06456	13.7
145.10065	2.5
146.07234	28.8
147.08005	92.4
149.09552	4.7
149.42809	1.9
150.09058	3.5
153.06955	3.0
155.08456	8.5
158.07196	4.1
158.99467	2.7
159.07971	18.8
161.09570	61.8
165.06969	4.1
166.08617	2.3
167.08511	9.9
168.06467	2.1
168.09229	4.6
169.06389	2.8
169.10059	3.8
171.08040	9.6
172.08746	3.5
173.09589	14.7
176.10770	2.1
177.00645	3.3
178.08659	2.6
179.08502	3.2
181.06406	12.6
181.10051	4.0
182.07126	2.0
183.07973	11.9
183.11681	3.4
184.08760	10.9
185.09633	21.3
187.11115	10.7
190.12227	2.4
193.10081	16.7
195.08058	12.1
195.11627	4.8
196.08778	22.2
197.09587	22.9
197.13194	3.1
198.10382	4.5
199.11150	13.6
201.00583	3.4
207.11688	8.2
208.08846	2.5
209.09534	13.5
209.13022	2.6
210.10292	9.6
211.11134	96.8
212.11676	3.2
213.09233	2.3
213.12688	3.0
218.11783	3.5
219.01941	2.3
219.11691	8.1
220.08704	4.9
221.09613	3.3
222.10345	4.0
223.11113	22.4
224.11914	4.3
225.12711	45.6
227.10623	3.3
227.14259	3.5
232.08795	4.6
233.09596	8.1
233.13187	2.6
235.11179	24.6
237.12672	9.9
239.10559	11.2
241.15875	2.3
242.15424	15.7
247.11086	23.8
248.11897	10.4
249.12721	3.7
250.10640	2.3
251.10713	2.1
251.14253	3.4
253.12146	17.2
253.15802	12.2
261.12524	3.2
262.13425	32.7
265.12186	3.2
267.14578	2.4
267.17346	16.3
277.15823	38.8
280.14560	4.5
291.14359	2.3
294.18439	3.7
295.16849	88.7
296.16446	11.6
312.19464	31.4
314.21130	4.4
378.20505	4.1
384.58820	2.3
395.23358	2.4
406.19894	8.8
423.22623	40.7
424.21124	9.4
441.23734	67.6
441.32809	2.3
453.37161	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	441.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48200	0.5
52.58064	0.4
54.05864	0.5
55.05432	0.6
57.07004	0.5
67.05433	4.4
67.05724	0.6
69.06992	4.3
69.63834	0.5
70.07337	0.6
79.05382	0.8
81.06970	5.0
92.10815	1.1
93.06997	1.8
95.08524	3.3
107.08517	3.0
108.08748	0.6
109.10104	6.9
109.10751	0.6
114.75880	0.6
119.08525	3.9
121.10133	1.0
122.07261	1.5
137.09590	17.4
165.09076	100.0
166.09401	2.6
190.09787	0.7
205.12152	2.8
441.27982	3.7
441.33136	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	441.336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30721	2.7
54.82108	3.5
56.11014	3.1
57.07005	2.9
67.05418	14.6
69.06976	35.0
79.05398	13.6
81.06967	94.8
88.36407	3.1
89.45679	3.3
93.06979	17.9
95.08547	31.9
97.93570	3.4
97.94595	3.3
99.39881	2.8
100.55663	3.2
105.07002	6.7
107.04881	3.6
107.08536	20.3
109.10120	15.2
117.06836	3.3
119.08538	5.9
121.10085	13.8
122.07247	3.7
127.38500	3.7
131.08601	3.2
133.10056	5.5
135.07994	7.5
135.11607	4.2
137.09612	13.5
139.07520	16.8
161.13219	4.5
163.07472	27.1
165.09073	100.0
170.78960	3.6
181.08519	7.5
203.10649	6.2
205.12251	7.1
283.41232	4.1
327.27023	3.7
423.32333	8.4
428.88870	4.2
441.33353	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	441.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05431	33.8
57.07003	7.3
62.59660	5.4
64.57169	4.7
64.60120	4.7
67.05408	35.9
69.06998	61.0
72.61620	5.2
73.79615	4.9
79.05399	11.3
81.06969	100.0
83.08495	8.6
91.05395	23.2
93.06971	54.1
95.08526	70.4
105.06998	37.9
106.59478	5.7
107.08530	59.3
109.10114	60.6
111.60460	4.7
119.08529	39.0
121.10103	59.9
123.07970	6.3
123.11624	36.7
127.67916	5.7
131.08508	8.5
131.41113	5.2
133.10066	37.7
135.11638	31.2
145.10091	12.5
147.11644	23.8
149.13159	8.9
151.11078	5.7
159.11674	23.4
161.13211	8.7
162.77492	5.6
165.09079	11.6
173.13268	8.3
186.52315	6.6
187.14784	6.6
211.88940	5.6
256.49847	5.0
258.03293	4.9
306.70895	5.8
395.72638	6.3
423.35922	11.1
441.37308	19.6
469.26886	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	442.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05457	4.9
56.04959	5.1
56.96513	4.8
57.03369	5.4
60.04443	7.2
61.02847	6.0
62.37026	4.1
67.60976	4.0
69.03333	33.3
70.02866	25.2
70.06502	42.0
71.59087	4.1
72.08049	22.8
74.06003	4.4
82.92723	4.0
84.04426	48.3
84.08065	30.2
84.64983	4.8
85.02829	73.9
86.09605	8.7
87.05543	16.1
91.05402	83.8
96.04445	6.9
97.02816	20.9
98.02323	6.2
102.05479	7.4
103.05399	24.5
107.04910	4.9
110.07114	20.6
112.03890	10.9
116.98553	19.3
120.08057	91.0
127.03760	5.3
128.98561	7.3
129.10248	6.4
130.06470	5.7
131.04872	9.6
138.82791	4.9
144.08040	5.0
145.04922	6.2
145.43663	4.4
146.99637	8.9
148.05981	6.6
157.06544	8.3
163.06041	6.4
166.08594	30.3
172.07559	9.9
175.08664	33.7
177.00650	8.5
182.06004	25.9
182.07603	4.1
200.07013	100.0
217.09755	23.5
219.01756	10.0
221.09076	7.8
237.02606	5.0
246.07542	26.4
263.10104	42.8
266.29510	5.8
280.12799	21.0
305.11307	10.7
322.13776	17.9
358.13898	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	442.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	1.5
55.01815	2.2
55.05457	4.1
56.04973	4.4
57.03362	1.8
61.74102	1.1
67.05440	2.2
69.03347	2.7
69.06989	1.2
70.06513	25.0
70.43875	0.9
71.04904	1.0
72.08075	11.1
72.72857	0.9
74.05981	1.2
76.56740	1.4
79.05411	6.9
81.06976	2.6
84.04426	7.8
84.08071	17.0
85.02842	4.0
85.06478	1.2
85.08415	1.1
86.09628	16.9
91.05391	12.3
92.10242	1.3
93.06964	2.5
95.04907	5.9
95.08545	7.5
97.02840	4.7
103.05412	6.4
105.06983	35.7
107.04903	5.3
109.06477	1.9
110.07088	11.0
115.05412	7.2
117.06966	6.8
119.04901	8.3
119.08527	2.7
120.08034	4.6
121.06476	2.7
123.04384	6.0
123.08040	5.8
124.05172	1.3
128.06184	1.1
129.06972	15.3
129.10184	10.5
131.04898	2.4
132.05725	1.6
133.06467	37.0
136.05153	1.8
136.07538	1.9
137.05943	7.0
138.09145	1.2
140.04657	2.1
145.02847	1.3
145.06451	11.8
147.04408	4.1
147.08047	5.0
149.05937	4.2
151.07521	14.5
153.05576	1.3
155.07025	2.1
157.06461	6.0
161.05939	30.2
161.07243	1.4
161.13324	1.2
162.06676	1.2
163.07518	7.0
167.07008	69.3
173.05911	2.6
174.06708	2.4
175.07494	39.8
177.05484	1.9
177.09070	31.2
179.06996	48.9
181.08409	2.0
185.05975	2.1
189.08997	8.0
191.07008	8.3
193.08568	100.0
193.87067	1.3
194.08940	2.5
205.08577	32.1
209.08022	11.8
209.15492	1.2
217.08542	4.7
227.09056	1.2
235.09599	18.1
238.14816	1.2
278.46393	1.2
281.11710	1.4
309.11063	1.5
329.13678	1.3
341.13818	8.9
359.14841	7.7
371.14713	4.3
377.15399	1.6
414.84967	1.2
432.54459	1.1
442.26089	1.1
453.72168	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.222
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10606	2.8
56.21543	2.8
58.26357	3.2
67.05408	4.7
69.06985	4.2
70.06512	4.1
84.04406	19.8
85.02807	15.5
91.05413	30.8
93.06950	6.2
95.08553	5.5
105.06965	48.0
107.08495	5.1
109.06660	4.3
117.06935	7.7
119.08522	24.7
121.06447	20.7
121.44054	4.4
123.08094	4.2
128.06180	5.9
129.06981	4.0
131.04858	3.7
131.08493	16.1
132.05623	9.0
133.10088	21.5
143.08516	5.4
145.06436	14.6
146.07253	37.6
147.08020	78.7
159.08006	8.2
161.09572	76.2
173.09549	3.9
185.09628	4.8
196.08784	4.7
197.09608	8.0
203.97939	4.0
204.63937	4.1
211.11150	36.7
223.11082	16.3
225.12639	15.2
235.11096	7.7
262.13486	6.3
267.17413	4.8
277.15775	20.4
295.16919	50.9
296.16531	8.2
376.38364	3.8
396.21335	4.5
424.21362	3.9
432.44406	4.1
442.22208	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10461	0.7
54.81502	1.1
62.62510	0.8
67.05412	1.2
69.06978	5.6
69.82714	0.7
70.06479	0.8
79.05450	1.0
81.06985	7.0
83.08504	1.2
85.02814	1.4
91.05385	4.5
93.06975	7.7
95.08531	6.7
95.27222	0.8
97.44337	0.9
105.06986	23.5
106.51250	0.9
107.08522	6.4
109.10092	5.5
117.06943	4.7
119.01859	4.6
119.08540	11.5
121.10090	5.0
123.07960	1.5
123.11642	1.4
131.01886	1.4
131.08516	10.4
133.10065	5.4
137.02888	3.9
137.09595	3.6
141.67888	1.0
143.08525	5.0
145.03459	1.0
145.10135	8.1
147.11652	5.5
149.09602	1.1
155.08524	1.0
157.10085	4.3
159.04974	1.2
159.11641	5.4
169.10150	1.0
171.11603	4.1
173.02908	5.0
173.13216	4.0
176.18570	1.0
183.11674	1.4
185.13297	1.2
187.14754	1.1
189.06036	1.2
197.13258	1.4
199.14876	1.2
201.06088	1.3
201.16385	7.2
213.12990	1.2
219.06911	1.0
236.98740	0.9
241.19482	1.5
255.21062	1.0
283.20630	2.2
323.18509	1.7
341.19412	1.3
364.25061	1.1
365.19589	4.5
383.20593	6.3
401.21613	41.5
402.21829	1.9
419.22687	100.0
420.22922	8.5
424.22827	1.1
442.24399	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	442.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82134	0.5
55.05444	1.9
57.07010	0.6
63.33339	0.4
67.05421	1.1
69.06983	1.8
77.25531	0.4
79.05385	0.7
81.06960	2.4
83.08519	0.6
85.06440	0.5
89.76627	0.4
91.05371	0.5
93.06953	2.6
95.04873	0.5
95.08521	3.1
101.00825	0.8
105.06971	9.3
107.08522	3.2
109.10094	2.0
119.01862	13.0
119.08523	2.7
121.06458	3.1
121.10082	2.7
123.11665	4.2
123.94064	3.3
130.05019	0.6
131.08527	4.7
133.10130	1.9
134.10437	0.5
135.11612	0.8
137.02908	9.6
140.84267	0.4
142.26320	0.5
143.08568	0.8
145.10092	3.0
147.07994	0.7
147.11668	0.6
149.13220	1.9
157.10088	2.6
159.11662	3.2
171.11667	2.2
173.13170	0.5
177.06047	0.8
178.02284	0.5
179.05521	0.6
185.13171	0.7
193.07040	0.8
195.05061	1.7
197.06519	6.6
199.14830	0.9
203.05505	2.9
203.07388	0.7
211.08078	1.9
213.16338	1.8
221.06541	36.6
222.06808	2.4
223.07928	0.6
235.08109	2.8
239.07596	8.1
244.08159	0.9
247.08160	2.0
253.09125	0.9
261.09665	0.7
283.20386	0.5
297.17072	2.4
301.12939	0.8
301.91968	0.5
319.22687	0.6
329.71417	0.5
339.17874	0.6
341.19482	2.0
356.15012	0.5
359.20447	2.3
365.19507	0.8
375.20303	0.5
377.21710	0.6
383.20563	4.6
401.21585	12.9
402.21878	0.8
419.22662	100.0
420.22891	11.7
442.24417	7.1
443.24658	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05414	9.7
69.06984	11.6
79.05389	2.5
81.06966	29.3
93.06946	8.7
95.08512	10.7
103.22204	1.5
105.06931	3.0
107.08521	10.7
109.10100	15.4
111.56009	1.5
119.08506	10.1
121.06432	13.1
121.10110	3.4
123.11642	2.7
133.10049	3.2
135.71896	1.6
136.08803	18.0
137.09590	16.2
147.11697	2.2
149.09572	3.3
164.08295	27.8
165.09068	100.0
166.09419	2.2
203.10580	25.4
205.12149	10.4
417.91187	1.7
424.33231	33.0
442.35486	2.4
443.33508	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0953
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37006	1.5
53.03873	2.1
55.05443	10.2
56.04965	8.5
56.96492	4.2
57.03360	2.1
60.04460	7.7
67.05431	3.3
69.03352	11.2
69.06985	3.7
70.06506	100.0
71.04896	4.7
71.06828	2.9
71.19406	2.1
72.08072	50.1
73.35199	1.7
74.05970	3.4
76.02135	2.9
81.03324	2.0
83.06037	3.3
84.04429	28.1
84.08062	54.7
85.02819	14.9
86.09628	35.4
87.04364	3.3
87.05527	2.2
88.03895	3.8
91.05421	3.4
93.06976	3.4
95.04891	9.3
95.08541	5.0
97.02831	4.5
98.97494	3.4
99.04390	2.5
102.05459	8.9
105.06956	3.0
107.04889	2.8
109.02787	2.1
110.07121	23.5
111.07439	2.2
113.09573	28.1
116.98569	8.4
119.04874	3.3
119.08485	2.2
120.08037	3.0
121.06425	2.5
127.08626	2.4
129.10188	25.9
130.04938	4.6
131.10620	8.0
133.06250	1.8
136.07558	5.0
137.05937	23.2
146.99593	4.2
162.02145	2.2
167.06857	2.4
170.52586	2.2
171.11362	2.5
171.14876	2.2
173.12953	1.9
192.22104	1.9
193.04967	11.4
195.11485	1.9
237.02838	3.0
247.13106	2.7
263.12665	2.2
265.85168	2.4
276.01666	2.4
299.04120	2.1
302.02982	4.5
443.09119	39.4
443.17944	10.5
443.25052	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0954
Annotation	Biisofraxidin
Peak:m/z	Relative Intensity
55.05440	10.0
55.20972	1.2
56.04965	9.5
56.96497	5.9
57.03382	1.4
60.04436	6.2
60.05554	1.7
67.05408	2.8
68.04935	1.5
69.03332	10.5
69.06967	3.1
70.06506	100.0
70.06889	3.3
71.04874	1.6
71.06831	3.0
72.07658	2.8
72.08061	50.6
74.05966	3.6
79.05394	2.4
81.00414	1.4
81.03342	1.5
81.06970	2.5
82.06474	1.3
83.04904	2.4
83.06002	1.4
84.04429	25.9
84.08060	54.5
84.95958	1.6
85.02814	12.3
85.08384	2.3
86.09617	32.3
87.05497	3.1
87.09947	1.9
88.03913	3.6
91.05371	5.9
93.06971	5.6
95.04891	7.2
95.05998	2.1
95.08545	10.1
97.02817	6.4
97.06434	1.6
98.97495	7.8
101.07047	2.7
102.05459	8.6
103.05432	1.4
104.73444	1.7
105.06982	2.9
107.04902	1.4
107.08516	5.4
109.02816	2.4
110.07106	28.0
111.04356	2.1
112.08639	2.9
113.07068	1.6
113.09570	8.4
115.08633	1.9
116.07003	3.4
116.98553	8.2
119.08588	4.7
120.08059	6.4
121.06432	3.0
123.04380	1.7
127.03828	1.5
127.08601	3.2
128.98573	1.7
129.10204	25.8
130.08614	2.9
131.10631	2.3
131.13722	1.4
133.06000	2.6
133.10042	2.8
134.99590	6.1
136.07564	11.4
136.08415	1.4
137.05954	8.4
141.10178	2.7
143.08475	2.7
143.11729	1.7
146.99606	2.9
147.08002	2.4
151.07565	1.9
155.08118	1.9
156.07623	1.6
159.11699	1.8
161.01227	1.7
161.09628	3.3
165.07016	1.4
171.61830	1.5
183.06456	3.1
183.14833	3.2
184.96091	1.6
201.12408	1.9
203.02103	1.6
219.01794	2.3
227.10287	1.8
237.02771	8.8
247.13196	6.4
263.12784	2.6
284.01913	1.5
296.01758	1.6
299.04404	1.6
302.03027	6.5
326.31110	1.6
443.09283	47.0
443.18509	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0965
Annotation	Biisofraxidin
Peak:m/z	Relative Intensity
55.05444	0.7
56.96494	0.9
65.12160	0.8
66.97375	0.6
69.06962	0.6
70.06499	1.5
71.26987	0.7
72.03091	0.7
81.06998	0.9
86.09615	1.4
92.10819	1.1
98.97450	1.0
105.06966	2.7
115.30720	0.7
116.98599	1.1
119.04926	0.8
119.08533	0.9
134.99640	0.9
158.99500	0.8
167.07076	0.9
180.05534	0.9
181.06490	2.8
182.07222	1.2
185.06078	0.9
191.07039	0.9
196.05074	1.0
199.07539	1.2
203.03288	5.4
205.05025	1.1
209.06004	3.2
210.06726	5.6
211.07439	1.3
212.04768	1.1
213.05386	1.0
217.04921	1.5
218.05655	5.6
221.05901	1.1
223.03931	1.0
224.04793	2.4
225.05486	0.9
227.06993	1.2
235.06018	1.2
237.05569	2.9
238.06229	8.1
239.07024	5.0
240.04161	1.0
241.04887	3.6
244.07355	1.1
250.06184	0.9
252.04152	1.4
253.05020	2.5
255.06425	8.4
256.07181	3.0
257.04422	1.2
257.08023	1.0
258.05356	0.8
264.04065	0.9
265.04877	3.5
266.05661	4.2
267.06851	5.4
268.03751	1.5
268.06891	0.7
269.04398	4.9
270.05301	0.8
270.08804	1.7
271.05862	1.7
273.07486	1.4
279.03015	0.9
280.03653	0.9
281.04620	1.0
281.08145	0.9
283.05920	9.5
284.06671	7.4
285.04480	0.7
285.07523	4.3
293.04306	2.6
294.05151	4.6
295.06046	3.5
296.03183	1.1
297.03787	2.8
297.07318	1.0
298.08328	5.0
299.09036	8.4
301.07040	4.0
309.07465	1.3
311.05435	9.4
312.06207	5.8
313.07120	1.1
314.04059	0.9
315.08490	1.7
322.04581	1.1
325.03409	1.4
326.07697	2.7
327.08557	19.5
329.06375	7.2
337.06921	1.3
339.04913	3.1
340.05756	5.9
341.06415	3.3
343.07834	1.2
344.08606	2.6
354.07477	2.8
355.08038	10.8
357.06015	4.3
359.11215	7.0
365.06427	1.5
369.06174	3.3
372.08224	3.2
382.06610	2.6
383.07468	16.3
384.08047	1.8
385.05341	1.5
387.10657	25.6
400.07840	7.6
410.06879	0.9
415.10458	2.5
425.26828	0.9
428.07230	1.1
443.09604	100.0
444.09921	4.1
464.37933	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93026	1.5
58.28898	1.5
59.04925	8.0
63.05083	1.5
65.03869	2.2
79.05421	4.3
91.05370	2.7
93.06983	2.3
95.04883	4.0
97.06460	3.8
107.04850	3.0
110.03612	2.1
111.04345	3.2
116.98583	1.9
119.18203	1.9
120.02013	9.6
121.06468	8.6
125.05972	14.6
131.41664	1.8
133.02789	8.9
135.04378	8.6
137.06059	1.9
138.03120	3.3
139.03925	2.1
147.04349	2.7
148.01552	4.7
150.03117	4.5
150.40100	1.9
151.07510	8.4
153.05444	26.6
161.02286	2.9
163.03902	17.6
164.04755	2.3
164.52991	1.7
165.05429	2.4
166.02611	4.4
178.02594	2.7
178.06120	3.6
179.03366	2.3
179.07059	8.5
191.03355	6.7
192.04144	9.1
193.04907	2.7
205.04965	4.0
206.05737	9.5
207.06480	60.1
209.04411	100.0
221.04410	8.2
227.09853	1.9
233.04433	2.3
349.25229	2.3
443.09576	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	443.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96485	2.8
57.03363	2.6
57.20242	1.6
57.59295	1.6
62.06013	2.7
64.33273	1.9
69.03330	10.0
70.06516	18.2
71.04890	2.4
72.04443	2.2
72.08049	8.8
73.02822	2.2
84.04422	4.0
84.08081	3.1
85.02821	13.8
85.06485	1.9
90.05470	14.0
93.06969	2.6
93.55119	2.1
97.02815	3.5
98.97496	7.9
99.72066	2.1
110.83372	1.8
116.98551	4.4
119.01763	2.1
120.08019	3.8
127.03890	3.0
139.03831	2.2
143.01900	2.1
146.99637	2.4
149.02118	7.8
161.02928	8.0
173.02896	2.4
175.13608	1.8
177.00679	3.0
181.04939	3.6
200.11473	2.1
202.10739	7.3
210.58479	1.7
220.11786	15.3
222.95883	1.7
224.17516	2.2
229.02559	1.9
263.05704	2.7
272.06342	2.0
311.07364	1.9
317.08453	17.5
443.11432	100.0
447.91751	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06380	0.7
55.01793	1.2
55.05444	1.5
56.04967	1.3
56.96497	1.7
57.03363	4.9
60.90724	0.7
61.02849	4.6
69.03349	13.1
70.06138	1.4
70.06503	34.1
71.01231	0.9
71.04902	2.1
71.06835	1.0
72.08063	16.7
73.02817	3.8
74.05985	4.0
76.02125	0.9
79.05393	0.8
81.03333	1.8
81.06944	1.2
84.04412	8.1
84.08054	13.1
85.02821	18.0
86.09134	1.2
86.09612	11.8
87.04400	1.6
88.03914	1.1
91.05397	1.8
91.59457	0.9
93.04478	0.8
95.04902	0.9
97.02839	7.3
98.97496	1.4
99.04353	1.6
102.05465	3.4
106.89183	0.8
109.02842	1.3
110.07112	7.9
112.08717	1.0
116.07050	1.6
116.98572	3.3
118.08616	1.3
120.08038	9.5
122.05975	1.1
123.04359	0.8
127.03851	1.6
128.43501	0.8
129.10170	5.4
130.04962	1.0
132.06703	1.2
134.99623	2.2
136.07536	4.2
137.05940	1.6
146.08344	1.2
147.09140	100.0
166.08559	1.1
169.13347	3.9
189.05370	1.4
189.10219	1.4
197.12874	1.2
237.02731	3.9
281.14880	69.8
293.08945	1.3
323.12579	1.1
332.10129	1.0
443.13336	34.2
443.20013	81.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92205	0.3
51.70972	0.3
54.03394	2.3
55.01801	0.4
55.04190	3.7
56.04988	0.3
57.03359	1.4
59.04921	0.5
62.06011	2.7
63.06325	0.3
69.03348	3.7
70.06501	2.2
71.01295	0.3
71.04900	0.5
72.08056	1.4
72.28525	0.3
73.02826	0.8
80.04918	0.6
81.03354	0.7
81.04454	21.6
81.06985	0.3
82.04780	0.6
82.05236	9.2
84.04423	0.7
84.08086	1.3
85.02817	3.7
87.04394	0.8
90.05489	0.4
91.03848	0.4
97.02824	2.6
97.07576	0.4
98.97528	0.7
101.05949	0.5
104.70566	0.3
108.05576	0.6
110.07098	1.7
116.07088	0.6
116.98534	0.5
122.07099	80.6
122.76211	0.4
123.07883	100.0
124.08244	0.5
127.03832	0.6
130.70212	0.4
139.03868	0.4
144.04749	1.5
152.22209	0.4
160.04237	2.8
161.01222	0.4
161.02798	0.3
164.02298	0.6
165.07697	4.3
172.04211	1.4
177.00722	0.4
180.63727	0.4
182.03412	0.4
258.06433	0.5
270.05026	0.4
271.48660	0.3
272.13562	0.3
276.07584	0.6
281.10596	36.9
282.10876	0.5
380.85641	0.4
425.14056	0.4
443.15836	42.3
444.16260	1.6
448.85233	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2538
Annotation	Aspidospermidose
Peak:m/z	Relative Intensity
59.58741	3.3
61.03223	3.9
61.20775	3.2
61.88126	3.2
74.64674	3.6
79.05402	6.4
81.06933	6.1
84.04431	68.7
85.02821	16.5
86.05973	16.7
91.05402	5.2
93.06948	16.3
95.08530	5.4
102.05537	4.7
105.06950	47.9
107.08527	20.0
109.10059	6.1
111.08015	5.0
119.08543	42.7
121.06398	16.7
121.10109	7.6
130.04042	6.6
130.04959	100.0
131.08530	23.5
133.10100	18.6
134.99606	4.1
135.08043	8.7
143.08534	18.0
145.10107	47.5
149.09549	19.1
155.08466	6.3
157.10104	16.5
159.07991	5.0
159.11646	31.2
171.11652	8.8
173.13202	5.1
183.11658	7.5
195.11626	6.9
209.13164	6.5
222.13992	5.3
225.16400	4.7
233.12268	3.9
237.16275	23.2
251.17935	4.8
254.18977	5.5
255.17383	10.2
272.20081	7.3
279.17465	15.6
296.19989	7.1
297.18469	17.2
314.21106	43.9
338.77893	4.8
380.22064	24.0
408.21454	15.8
420.22629	9.9
425.24393	46.1
426.22638	97.7
427.59036	5.0
443.25351	98.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
73.24108	2.3
73.25556	1.9
76.04675	1.9
104.95217	2.2
213.88408	2.3
244.61731	2.4
443.28806	52.1
443.33301	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64864	0.3
55.53798	0.3
57.07018	0.3
57.41357	0.3
59.72671	0.3
60.42222	0.3
68.95632	0.4
98.85796	0.4
123.86440	0.3
183.56023	0.3
443.33334	100.0
444.33688	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	443.334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31174	0.3
63.83107	0.3
69.06994	0.6
76.76113	0.4
76.82697	0.4
81.06962	0.8
90.62263	0.4
91.58352	0.4
93.06962	0.6
95.08532	0.6
100.72238	0.4
107.08494	0.5
115.00832	0.3
119.08543	0.5
149.02309	0.5
159.32710	0.4
202.91145	0.4
301.20004	0.4
415.84613	0.4
443.33337	100.0
444.33752	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	443.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82666	0.5
55.05450	0.4
65.69188	0.4
70.06500	0.5
71.63367	0.5
72.76162	0.4
82.02279	0.5
89.96512	0.4
92.10931	0.6
94.29376	0.4
124.94907	0.5
134.72295	0.5
138.15964	0.4
172.71906	0.6
199.72885	0.5
203.03590	0.5
250.84431	0.6
329.66281	0.5
379.55377	0.5
443.33337	100.0
444.33792	8.5
444.39655	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3518
Annotation	5alpha,8alpha-epidioxysterol
Peak:m/z	Relative Intensity
54.27782	1.0
55.05447	4.1
57.07009	1.9
67.05428	6.1
69.06987	9.2
69.80676	0.9
71.08543	1.5
73.19286	1.1
76.40857	1.0
79.05424	1.1
81.06972	13.8
83.08575	1.4
91.05401	2.5
92.10918	1.4
93.06985	9.1
95.04893	1.7
95.08523	17.6
97.06489	1.1
99.50891	1.0
105.06969	11.8
107.08521	15.6
109.10105	13.8
112.99971	8.7
119.08530	12.6
121.06487	1.6
121.10081	15.6
123.08060	1.4
131.08504	12.4
133.10046	9.5
135.08032	1.4
135.11662	6.6
137.09564	1.6
137.13213	1.4
145.10085	10.0
147.11676	7.1
149.09599	2.6
150.98849	1.0
151.11211	1.9
157.10272	1.0
159.11650	4.4
161.13211	4.8
163.14774	1.6
169.02661	1.7
175.14763	1.8
177.16312	13.0
187.14769	13.9
191.14178	1.5
201.16399	1.8
203.14336	1.6
205.15829	100.0
206.16176	1.9
219.17389	2.6
275.69290	1.2
311.68277	1.2
314.27625	2.3
353.95822	1.2
425.33844	4.7
443.35095	64.5
444.35535	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	443.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05435	5.6
56.93743	2.5
57.06989	3.7
57.20437	2.7
57.50441	2.9
64.33749	3.1
67.05424	17.6
69.06977	27.1
71.04920	3.0
71.08510	2.9
71.45649	2.9
79.05412	12.6
81.06973	69.6
83.08543	4.5
91.05414	6.7
93.06975	26.2
95.08523	37.9
105.06966	20.4
107.08533	32.6
109.10122	28.5
119.08527	18.5
121.10084	23.3
123.11641	17.4
127.11184	2.8
133.10110	14.5
135.11671	18.0
137.13264	4.2
145.10085	4.9
147.11702	14.2
149.13182	3.3
159.11670	5.3
161.13202	4.8
163.14742	4.0
165.09077	7.2
173.13019	3.1
177.16353	3.3
287.12274	3.8
443.33292	100.0
444.33157	7.1
452.12585	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3881
Annotation	15Z,18Z,21Z,24Z,27Z-triacontapentaenoic acid
Peak:m/z	Relative Intensity
53.03886	2.9
55.05447	20.9
57.07000	7.5
57.38213	1.1
61.51822	1.1
63.63860	1.1
64.60058	1.3
65.03862	1.9
67.05427	64.7
69.06985	23.9
79.05408	70.9
79.91417	1.4
81.06975	74.8
83.08528	11.2
85.06485	1.4
91.05404	52.5
93.06968	100.0
93.08894	1.3
95.04903	13.6
95.07961	2.5
95.08532	59.0
97.02849	1.2
97.10110	6.4
105.04490	1.6
105.06975	48.2
107.08534	57.5
109.10114	23.3
114.37451	1.6
117.06941	2.7
119.08537	35.2
120.74777	1.5
121.10099	55.1
123.11654	6.6
131.08549	8.3
133.10095	25.5
135.11650	41.3
137.13144	2.4
145.10130	5.7
147.11699	15.9
147.19714	1.3
149.13226	21.4
159.11691	2.4
161.13229	9.8
163.14807	8.9
173.13229	2.1
175.14795	8.2
177.16373	5.9
189.16339	2.2
191.17970	2.2
203.18271	1.6
205.19498	2.1
235.97244	1.5
343.01755	1.4
361.30826	1.7
373.30994	1.9
387.32263	1.5
425.37872	5.6
443.33170	39.0
443.38712	95.7
444.33475	3.1
444.39294	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	444.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	2.4
55.01809	5.3
55.05447	16.4
57.03357	2.5
57.07010	1.1
62.39784	1.0
62.51218	1.2
67.05420	35.6
69.03343	2.4
69.06979	18.9
71.04884	2.0
79.05410	35.0
81.03340	6.6
81.06976	100.0
82.07320	1.6
83.04898	3.1
83.08533	8.9
85.06471	1.6
89.02337	1.8
91.05400	26.2
93.06976	29.1
93.18523	1.2
95.04877	13.5
95.08530	23.1
97.06459	6.8
99.08007	2.3
103.05477	2.0
105.06973	31.6
106.45731	1.3
107.04909	11.6
107.08540	16.0
109.06478	21.5
109.10101	10.4
109.57130	1.5
111.08022	2.7
117.06953	8.3
117.78088	1.4
119.08549	23.0
121.06454	8.2
121.10095	13.8
123.08013	6.6
123.11646	6.7
129.06952	2.8
129.17123	1.3
131.08542	14.2
133.10094	18.2
135.08012	7.6
135.11623	2.8
137.09544	1.7
141.07027	1.9
145.10081	9.6
146.83051	1.3
147.08020	5.5
147.11678	19.2
149.09583	8.0
149.13232	5.6
156.78090	1.3
157.10088	3.0
159.11685	7.3
161.09534	1.7
161.13257	2.0
161.29393	1.4
163.11143	7.3
163.14879	1.7
165.12686	2.7
171.11679	2.5
173.09612	2.4
173.13251	6.6
175.11169	2.9
175.14861	1.8
177.12602	1.6
183.11772	1.4
193.12230	1.5
239.18062	1.9
253.26906	1.3
257.18851	7.6
275.19971	65.6
276.20486	2.1
293.21030	26.9
363.21616	2.7
391.21024	3.0
403.23334	1.9
409.22296	11.3
421.23624	1.8
441.94308	1.5
463.36383	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.259
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96489	1.2
67.05428	2.6
81.06955	2.6
91.05373	4.7
92.10268	2.2
93.06960	5.1
95.08537	2.9
101.00798	1.6
105.07000	8.9
107.08537	7.2
109.10099	1.6
119.01867	21.6
119.08534	3.2
121.10095	1.5
123.08020	1.5
131.08553	6.0
133.10107	2.2
137.02907	15.9
145.10086	3.2
147.11690	2.0
157.10143	2.1
159.05005	23.0
159.11694	1.4
171.04935	9.2
177.06049	15.4
185.13194	1.3
187.14688	1.4
189.06056	6.0
193.46088	1.4
267.20905	1.6
363.20044	2.3
367.21072	1.6
377.21579	2.8
385.22052	8.7
403.23151	21.5
404.23035	1.3
408.03705	1.3
421.24237	100.0
422.24432	6.4
444.16690	1.9
444.25513	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17316	0.5
56.15521	0.6
56.96512	0.5
57.86132	0.5
59.40469	0.4
62.74945	0.5
65.37135	0.5
69.03339	0.9
70.06521	2.2
70.79041	0.5
72.08080	0.6
73.06477	1.2
81.03313	0.6
84.08036	0.8
85.02844	3.9
86.09641	0.7
92.10603	3.1
97.02824	0.8
119.01869	0.9
119.49287	0.5
146.99658	0.5
148.39243	0.5
150.02872	0.7
151.03664	3.6
185.02969	0.7
189.00435	0.7
245.05014	1.1
256.24933	0.6
285.09451	0.7
313.08853	5.1
317.08423	9.6
325.59830	0.5
417.13605	3.7
438.49161	0.6
445.13083	100.0
446.13080	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05434	10.2
56.04974	8.0
56.96495	10.6
57.03378	5.2
60.04445	13.5
67.05421	21.6
69.03350	49.0
70.06504	100.0
71.04916	10.9
72.08070	41.5
75.01358	6.9
79.05429	8.4
81.06973	6.8
83.04913	8.3
84.04430	58.9
84.08073	75.8
85.02818	43.9
86.09634	65.4
88.03905	8.6
91.05394	28.0
92.10482	29.9
93.06966	35.5
95.04916	47.7
95.08521	9.2
97.02818	13.9
100.17126	6.1
102.05476	13.9
105.06975	54.0
107.08528	12.4
109.06448	28.9
110.07104	22.9
111.04391	12.4
113.05979	5.5
116.07050	10.1
116.98572	11.2
117.07007	5.9
119.08535	59.9
120.08138	6.6
121.06464	27.0
121.10052	9.5
123.07962	6.0
129.06961	6.1
129.10201	34.6
131.08511	31.5
133.10097	9.5
135.08055	29.7
136.07578	11.0
137.06015	19.8
137.09648	6.7
138.09116	30.9
139.03798	7.3
142.07813	10.9
143.08572	9.6
145.06445	8.4
145.10095	26.6
146.07263	5.9
147.08014	29.1
149.09512	6.6
151.07515	7.2
157.10030	11.5
158.07208	11.0
158.48494	6.2
159.08011	35.7
159.11734	21.6
161.09608	52.6
164.03517	5.3
165.08983	5.6
168.09314	6.8
171.07848	5.6
172.08783	8.8
173.09456	8.5
173.13107	8.9
175.07565	34.0
175.11224	13.7
183.11479	6.6
187.11165	22.5
199.11127	9.2
201.12665	13.9
203.10654	21.9
211.11174	11.3
229.12300	12.2
247.13257	53.7
265.14294	94.1
265.86389	5.5
312.55875	6.0
445.14178	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	3.1
55.05450	18.5
56.04965	8.0
56.96488	2.7
57.03368	3.5
60.04448	11.0
61.01057	3.7
67.05430	13.6
67.64136	1.6
69.03348	17.3
69.06976	8.0
70.02863	3.1
70.06506	92.7
71.04911	3.1
71.06810	2.5
72.08069	63.7
72.23367	1.8
74.05988	13.4
79.05402	7.1
81.03338	4.6
81.06948	8.9
83.04906	9.6
83.05996	2.4
84.04427	35.2
84.07600	3.1
84.08067	58.2
85.02821	16.8
85.06453	8.5
85.08389	2.4
86.09628	100.0
87.04380	2.3
87.05497	3.8
88.03919	15.4
90.05471	2.0
91.05390	15.0
92.10564	4.6
92.63884	2.0
93.06971	25.3
93.15039	1.9
95.04374	2.1
95.04882	19.8
95.06046	2.0
95.08528	4.0
97.02820	7.0
98.97540	2.0
101.07065	2.4
102.05461	11.7
105.07005	22.9
107.04872	3.4
107.08518	7.9
109.02786	3.0
109.06480	19.8
109.46868	1.9
110.07124	17.1
111.04410	13.6
112.08659	3.0
115.03825	2.1
116.07053	24.2
116.98586	1.9
117.06951	3.2
119.04901	2.7
119.08526	19.5
120.08041	10.5
121.06453	12.6
123.04330	3.0
123.07993	3.6
126.05400	2.2
129.10181	29.9
131.08498	9.3
133.06787	9.7
133.10066	11.7
135.08070	3.1
136.07545	8.6
137.05952	3.6
142.07733	2.2
143.08479	7.7
144.06586	3.3
145.06439	2.7
145.10095	17.5
147.07907	6.6
151.07593	2.3
156.07616	2.2
157.10072	12.3
159.07983	9.7
159.11629	8.9
161.08434	2.7
161.09587	30.3
171.07663	2.0
173.09489	2.1
173.13145	7.6
175.11078	6.9
177.09093	2.5
177.12772	2.0
183.11232	3.1
183.88136	1.8
185.16368	2.4
187.11116	3.6
187.14337	2.7
189.08981	12.8
199.07123	3.0
199.10843	3.5
201.12383	25.3
203.10748	3.0
211.11197	4.5
213.15872	2.2
217.11955	7.0
219.13760	3.6
219.94829	2.3
229.12047	11.4
235.47665	1.9
237.02815	2.1
247.13196	58.3
265.14175	8.8
312.15381	2.9
373.75162	1.9
391.17218	2.7
409.18326	8.7
445.20230	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	445.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96655	0.5
53.03875	0.6
53.28660	0.4
57.03359	0.7
58.32063	0.6
59.06046	4.4
60.05593	0.6
67.05445	0.6
69.03334	3.5
69.06985	0.6
70.06503	2.5
79.05411	6.1
81.03329	9.2
81.06985	1.0
81.29092	0.6
84.04422	0.8
84.08044	0.9
84.97438	0.6
85.02802	2.5
86.09615	1.3
91.05418	9.2
93.06946	0.6
95.03268	0.6
97.02837	1.1
97.06453	0.6
99.04405	1.3
102.00160	0.6
103.01418	0.5
103.05346	0.8
105.06976	5.8
107.04877	3.7
107.08530	30.6
109.02783	2.6
109.06466	3.6
109.10088	0.7
109.41210	0.5
115.05387	6.1
117.06958	9.5
119.06064	0.8
120.08054	0.8
133.06461	0.7
135.08014	100.0
136.08372	0.9
160.86427	0.7
163.07501	19.5
169.78690	0.6
181.08549	21.1
199.09676	0.9
325.12701	5.0
343.13779	6.6
445.18225	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	1.7
55.05437	2.8
57.06987	2.1
59.68170	2.2
62.58890	2.0
63.71117	1.9
66.35262	1.9
68.41572	2.1
72.23278	2.0
88.02115	2.5
88.07487	2.9
104.99200	3.8
107.08556	3.6
111.98104	2.5
112.20271	2.4
119.08511	3.4
125.93359	2.1
187.69778	2.1
213.61320	2.4
330.13702	2.5
382.36603	3.6
444.33649	5.5
444.40131	5.5
445.29056	100.0
445.33731	5.8
445.40369	3.4
446.28922	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74417	3.3
79.05394	3.3
81.06968	4.0
86.09621	4.0
91.05387	13.5
92.10787	3.5
95.04877	7.3
102.04623	24.1
103.05405	24.9
105.06947	7.0
115.05372	3.6
117.06947	3.9
119.04860	28.4
123.04364	6.1
124.05186	3.9
130.04092	37.4
131.04883	100.0
133.02789	4.4
133.06445	5.5
134.99603	4.6
135.04375	4.2
137.05965	14.1
145.06447	28.9
147.04375	57.7
149.02255	7.5
149.05930	3.9
151.03767	4.4
151.07426	5.8
161.05933	19.4
162.06712	81.5
163.03825	18.1
163.07506	19.2
179.03308	13.8
179.06972	18.0
180.07635	4.0
190.02522	6.5
193.04883	17.0
205.04968	28.2
207.02917	22.4
209.04427	5.1
219.02803	6.7
221.06024	6.5
229.01559	3.5
229.04840	5.5
245.04373	16.9
249.05312	5.8
277.04761	3.6
291.64215	3.1
337.06937	59.9
369.09561	45.5
371.08963	4.1
387.10464	20.8
428.75595	3.4
429.11533	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	446.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85844	0.3
68.04935	0.9
69.03347	12.2
85.02829	2.7
86.05985	31.1
86.42345	0.4
87.04388	98.8
92.10184	1.0
104.07036	100.0
105.05399	0.4
105.07343	0.4
108.97816	0.3
118.24025	0.4
127.03841	0.5
140.40932	0.3
163.02620	0.8
184.07358	0.6
187.03015	0.4
202.90584	0.3
206.23378	0.4
247.04871	0.4
265.05917	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54554	0.2
53.03890	0.2
56.96494	0.2
62.06013	0.2
63.58512	0.2
66.05223	0.2
69.03342	0.3
70.06516	0.4
71.42162	0.2
72.08064	1.2
79.05390	0.8
84.04419	0.3
84.08054	0.8
85.02831	1.4
86.09624	1.1
87.04376	0.8
90.94749	0.2
91.05450	0.6
93.06983	1.3
95.04899	0.3
97.02843	0.3
99.07723	0.2
103.05402	5.3
104.07029	0.2
107.04919	1.3
120.08053	100.0
121.08387	1.6
129.10187	0.2
131.04901	2.3
149.05981	1.5
166.08586	24.1
167.08910	0.3
244.15817	0.2
327.70844	0.2
378.17166	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	0.5
53.98592	0.4
55.01808	0.9
55.05446	1.0
56.67413	0.5
57.03358	0.9
61.02862	1.1
61.86195	0.4
65.03831	0.5
67.40565	0.5
69.03346	11.3
71.04914	0.6
79.05429	1.3
81.03349	1.2
82.39146	0.5
83.04900	4.0
85.02834	4.3
91.03910	0.6
91.05405	6.2
93.06997	0.7
99.04394	0.7
105.06974	2.5
107.08539	34.0
109.06466	2.4
109.10107	0.6
111.04389	3.1
117.06967	1.1
119.08534	100.0
120.08867	0.8
129.05429	2.5
133.06438	2.2
135.08017	27.6
142.14786	0.5
147.06558	0.6
281.13797	2.2
314.78531	0.6
415.21045	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	446.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00233	2.0
55.01805	3.5
55.05450	13.1
57.03362	1.9
57.07006	15.6
59.04920	0.9
67.05135	0.8
67.05433	13.7
69.03342	8.5
69.06995	7.8
71.04860	1.0
76.69818	0.8
78.85760	0.9
79.05410	13.4
81.03336	7.8
81.06969	14.2
83.04899	8.8
83.08521	5.0
84.34335	0.7
85.02829	1.4
85.10101	25.6
89.02299	1.1
91.05397	18.3
93.06970	10.7
95.04903	10.0
95.08526	12.8
97.06441	1.4
97.10088	3.8
99.04380	1.6
99.07993	1.6
105.06995	9.3
107.04893	8.7
107.08533	37.4
109.06424	4.7
109.10098	5.1
111.04369	1.8
111.08006	1.7
113.09576	18.1
117.06938	1.7
119.08533	100.0
120.08851	1.5
121.10077	4.9
123.07986	2.1
129.06960	1.9
131.08488	1.8
133.06439	5.4
133.10095	3.7
135.08014	23.8
135.11592	1.1
145.10095	1.6
147.11629	5.1
149.02310	0.9
149.09583	6.4
149.13216	1.4
151.11200	2.2
161.13217	1.4
163.11140	2.0
165.12721	26.9
175.11156	1.8
241.19223	1.2
259.20490	1.6
277.21558	27.8
277.24203	1.0
281.13629	1.3
295.22601	53.9
296.23077	2.0
310.52121	1.1
349.88437	1.1
415.21201	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	446.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03864	2.0
53.94598	1.5
55.01809	29.6
55.05447	31.6
57.03364	3.4
57.07000	7.0
59.92133	1.6
67.05422	33.4
69.06985	19.9
71.01269	10.1
71.04901	2.2
71.08545	12.9
73.02797	1.9
79.05408	22.8
81.03342	13.4
81.06966	53.7
82.46674	1.6
83.04896	11.2
83.08539	26.2
85.06480	2.1
85.10107	9.3
89.21714	1.5
91.05399	36.3
93.06964	29.3
95.04890	16.0
95.08533	31.9
95.09097	3.0
97.06467	12.6
97.10078	2.3
99.00738	2.4
99.08014	7.5
105.03342	3.8
105.06966	19.7
106.03708	1.9
107.04881	3.3
107.08544	20.5
109.06496	7.2
109.10117	14.4
111.08028	49.7
113.09583	10.7
117.06936	2.6
119.08537	20.9
121.10120	15.5
123.08007	3.1
123.11668	4.4
129.06938	2.8
131.08502	3.2
133.10100	20.0
134.99648	2.4
135.11667	8.3
137.09595	3.6
139.11137	3.5
145.10083	3.5
147.11664	19.8
149.02348	10.4
149.09610	10.6
149.13266	4.3
151.11145	12.1
157.10080	3.4
161.13231	8.8
163.11137	2.8
165.12706	39.8
175.14775	1.8
178.58517	1.8
179.14285	3.5
193.04951	7.6
207.13809	2.8
217.99426	2.0
225.91594	2.1
231.21060	2.8
241.19461	3.2
249.22096	3.2
259.20493	9.7
277.21558	100.0
278.21881	3.1
295.22623	77.5
295.25977	2.7
296.22861	2.6
313.23505	2.3
324.02463	1.9
325.01926	1.7
365.23203	22.6
393.22540	2.1
411.23569	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	447.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90087	0.8
56.96499	66.5
59.42762	0.8
74.97520	1.9
83.97555	1.7
84.04426	2.2
84.08036	1.1
84.95931	0.9
86.09611	1.1
97.99089	1.3
118.06434	1.1
120.68860	0.9
130.06477	1.9
132.08061	2.0
144.08055	1.6
146.05957	7.2
158.86012	0.8
159.11897	0.9
171.82549	0.9
174.02211	14.6
188.03772	4.6
188.07010	3.8
192.03279	100.0
196.84935	1.1
204.03221	3.4
205.09682	1.3
206.04865	29.3
207.01967	1.6
208.02597	1.0
210.04358	38.9
211.04608	0.9
215.04875	27.4
217.06451	17.8
220.02802	4.8
222.04344	8.2
224.05951	12.4
226.03809	1.8
231.04353	1.5
233.05916	42.6
234.04314	3.1
235.07474	35.6
238.03793	4.3
240.05435	1.9
243.04437	5.2
247.03912	7.1
249.05415	1.6
261.05399	79.5
265.05060	1.3
271.01999	0.9
272.08807	1.0
279.06445	94.6
280.06744	1.4
284.07101	1.3
316.05954	6.5
334.06818	1.7
402.11081	8.4
430.10657	12.3
447.13257	36.6
448.11786	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	447.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05458	8.3
55.05685	1.1
56.04964	6.9
56.96483	1.0
60.04454	11.0
60.05570	2.7
63.70916	1.1
69.03349	2.2
69.06982	6.9
69.83823	1.0
70.02851	1.2
70.06509	74.3
70.06897	2.4
71.04908	2.3
71.06828	1.2
72.08070	38.6
74.06010	4.1
81.06952	1.6
83.06022	1.7
84.04433	14.2
84.07593	2.3
84.08065	39.3
85.02835	8.5
85.08394	1.9
86.09626	100.0
87.05505	5.9
87.09967	2.5
88.03904	5.0
89.05923	1.3
91.05370	10.2
93.06956	1.2
95.08530	2.1
97.02845	1.9
101.07046	1.6
102.05479	7.8
110.07135	12.5
111.08069	1.4
112.08704	5.8
113.10666	1.0
115.08662	1.6
115.13006	1.1
116.07034	1.9
117.06985	1.1
119.04908	1.5
120.08067	14.4
121.08380	1.8
129.10204	17.6
130.10634	1.2
132.08022	2.3
133.06224	1.2
136.07550	13.6
137.05945	1.4
139.08681	1.1
143.11804	1.6
149.41232	1.1
153.10220	1.5
154.08698	1.2
155.08080	1.8
159.09198	1.5
173.12807	15.1
201.12360	6.3
211.10800	1.2
219.13501	1.7
223.09993	1.5
229.11838	2.7
247.12988	2.0
253.16681	2.1
314.20822	1.4
334.14139	1.5
409.99554	1.2
447.16187	85.3
447.21964	7.6
448.16629	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25017	1.0
53.69811	1.0
54.81411	1.1
55.01807	4.4
55.05444	5.2
56.04966	4.4
57.03368	5.6
60.04454	4.2
60.42062	1.0
64.46230	1.3
65.03870	1.0
67.05408	1.1
69.03344	7.3
69.06995	9.5
70.02868	1.1
70.06506	34.0
71.04903	4.7
71.06838	1.4
72.08064	23.9
72.40371	1.0
73.02828	1.5
74.06006	3.8
75.04417	1.4
76.69576	1.1
77.89436	1.0
79.05396	5.7
81.04436	1.1
81.06966	2.0
83.04922	1.2
83.06008	1.6
84.04432	13.0
84.08070	25.8
85.02831	15.5
86.09626	100.0
87.09967	1.5
88.03923	7.0
89.37173	1.0
91.05402	18.5
93.06973	5.3
95.04878	2.3
95.08529	2.3
97.02808	2.5
101.07074	1.5
102.05495	6.2
103.05394	6.3
105.03342	2.1
105.06973	26.8
106.04144	1.7
107.04890	11.9
108.05703	1.3
109.06464	4.9
110.07108	13.4
115.05416	5.4
115.08658	1.5
116.07061	2.4
116.98564	1.9
117.03364	1.4
118.04133	2.2
119.04889	24.3
120.08018	7.9
121.06431	10.7
122.07225	1.6
123.04359	1.6
123.07991	2.0
125.05962	1.9
129.10226	12.0
131.04903	1.7
133.06468	23.5
134.03581	4.8
135.04399	5.6
136.05186	7.1
136.07553	1.8
137.05940	5.3
140.04680	10.7
141.10248	6.5
143.11745	1.2
145.02859	6.3
146.03616	2.0
147.04373	7.4
149.05969	16.3
151.07526	15.0
152.04710	1.7
153.05438	96.6
153.09053	1.6
154.05818	1.9
156.10182	5.6
161.05934	42.8
163.03934	1.3
165.05420	1.4
167.06981	21.2
168.06340	2.9
168.07776	87.9
169.08098	1.5
177.05392	17.5
178.06212	14.6
179.07001	6.5
181.08549	2.2
182.15355	1.6
183.11264	2.1
189.08760	1.3
193.08569	43.8
194.08731	1.5
196.07268	54.9
201.12303	27.6
209.08014	2.5
211.09621	50.9
211.11552	2.2
219.13387	5.4
229.11736	12.0
267.12228	1.4
285.13272	17.7
342.20276	1.6
446.35913	2.1
447.21939	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77030	0.4
54.81953	0.5
55.92527	0.4
57.45304	0.4
58.06271	0.4
58.06533	9.1
59.04912	1.8
64.78719	0.3
69.03339	2.1
74.48026	0.4
76.07542	1.7
85.02831	0.5
86.05983	29.0
91.05404	15.7
95.04897	8.0
97.02819	0.4
103.05379	1.0
104.07035	44.0
107.04935	0.5
109.06461	0.6
119.04885	31.9
123.04375	49.2
136.07547	100.0
137.07887	0.4
147.04373	16.8
165.05432	49.4
166.05745	0.9
182.08083	44.0
183.08424	0.7
214.67996	0.5
289.82974	0.5
389.43542	0.4
444.44800	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43552	0.3
52.65658	0.3
53.03875	1.8
55.01808	0.9
55.05436	2.4
56.13389	0.3
57.03376	0.6
58.22155	0.3
63.52520	0.4
67.05076	0.7
67.05424	17.2
67.09758	0.3
69.03347	4.4
69.07014	1.3
70.06508	0.9
71.04916	0.7
72.08081	0.6
77.08417	0.4
77.08883	0.3
79.05404	1.5
81.03334	16.7
81.06973	11.6
83.04874	0.5
85.02837	3.3
86.09653	0.3
91.05396	1.6
92.10872	0.6
93.06956	2.9
95.04882	3.4
95.08523	7.9
97.02845	3.3
97.06446	0.6
99.04398	1.6
99.08024	0.7
100.11192	0.6
105.06940	0.6
107.08538	3.5
109.02821	11.1
109.06444	2.4
109.10101	48.0
110.10434	0.6
111.04362	0.6
119.08500	3.1
121.10101	0.6
123.08060	0.4
125.05929	2.0
127.03850	4.6
129.06958	0.3
135.07994	1.5
137.09587	100.0
138.09946	0.7
155.10634	4.9
165.09073	48.2
170.15331	0.6
175.07484	0.5
183.10065	3.6
197.92627	0.4
201.11172	5.5
252.44865	0.4
289.44904	0.4
291.12183	2.7
309.13263	24.3
310.13599	0.6
327.14334	8.3
345.15271	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31113	0.6
55.05459	9.7
56.04976	2.9
60.04438	1.2
63.48308	0.8
68.91563	0.7
69.03337	3.1
69.06980	1.0
70.06499	3.9
72.08070	100.0
73.02846	0.9
73.08421	0.8
74.05988	4.7
83.28397	0.7
84.04430	19.7
84.08060	3.4
85.02806	3.4
86.09628	17.1
86.14583	0.7
97.02824	4.6
98.97530	0.8
101.07079	1.4
102.05470	16.8
116.98477	0.7
120.06525	3.8
124.03915	1.2
127.03893	0.9
129.10138	1.8
130.04961	4.2
134.99667	1.1
138.09113	5.1
140.07083	1.3
143.11717	1.0
148.06020	3.0
156.10211	6.3
159.09109	1.1
173.09195	1.0
173.12769	6.1
183.11215	11.6
199.86151	0.8
201.12292	22.1
211.10741	2.7
219.13385	7.7
229.11864	7.4
237.02606	0.7
247.12885	3.5
265.01883	0.9
283.58978	0.7
310.17468	3.2
328.18640	1.8
447.14252	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56758	1.1
55.01801	1.4
55.65719	1.0
56.25380	1.1
56.96518	1.1
59.04916	1.7
60.04442	1.9
60.36884	1.2
61.02837	2.1
61.55022	1.0
63.10686	1.1
69.03349	2.2
70.06502	2.1
72.08060	7.0
73.02808	1.6
74.05984	2.0
78.98562	1.3
79.92653	1.2
84.04419	3.0
84.08052	8.2
85.02845	11.1
86.09628	8.5
92.10911	1.4
94.22765	1.4
97.02831	5.6
98.44980	1.3
98.97509	1.7
110.07126	2.7
116.98592	1.3
127.03822	2.7
129.10217	1.4
136.06134	1.3
140.57793	1.4
145.04897	1.8
154.08746	1.5
167.70219	1.4
182.99718	1.5
221.05179	1.4
233.56482	1.6
448.12054	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65309	0.4
55.01800	0.9
55.05441	1.2
56.04966	4.1
57.03097	0.9
57.03369	25.9
60.04440	1.2
61.01092	0.5
61.02850	2.4
68.99693	2.7
69.03353	4.3
69.06956	1.0
70.06138	1.0
70.06503	21.4
71.04897	0.9
72.08058	7.6
73.02831	0.5
74.05975	1.3
75.04395	10.7
79.05381	0.8
80.48534	0.5
81.03322	3.1
83.04877	0.7
83.06019	1.2
84.04424	8.0
84.08057	11.3
85.02823	17.3
86.09621	11.1
87.05499	0.8
88.03895	0.6
89.03831	3.5
91.03909	0.6
91.05389	7.0
93.06965	0.6
95.04894	1.1
97.02831	5.7
101.07127	0.7
102.05470	2.3
103.05408	3.6
104.05244	0.9
105.06963	2.4
107.04900	2.4
109.02827	0.9
110.07112	6.5
111.04346	0.9
112.08662	0.7
115.08582	0.7
116.07005	0.7
116.98576	0.6
117.03323	14.3
119.04871	4.2
120.08064	6.4
121.02798	0.9
121.06467	2.2
123.04371	2.5
125.05971	1.3
127.03843	2.1
127.08665	1.0
129.10184	6.3
130.04971	2.0
131.04872	7.9
133.06465	0.6
134.03557	5.6
135.04428	4.0
135.08047	0.6
136.07564	1.2
137.05939	2.0
145.02812	55.3
147.04370	0.6
147.07634	0.6
148.05128	0.7
149.05946	10.1
153.05475	4.6
155.08131	1.1
161.05994	0.7
162.03087	3.0
163.03844	9.7
163.07503	3.2
177.05418	100.0
178.05975	3.2
180.04123	29.5
186.05408	0.6
191.06978	1.1
192.04137	0.9
193.04926	5.9
194.05695	1.3
195.06474	39.4
198.38260	0.6
233.07974	3.1
251.09033	4.2
255.12321	0.9
269.10110	34.3
343.19919	0.6
425.06915	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	0.5
54.82254	0.3
55.01795	0.6
55.05445	2.4
57.03372	12.6
59.04929	1.1
60.04450	0.4
61.02847	1.9
62.38611	0.3
63.33631	0.2
64.23444	0.2
64.46560	0.2
69.03346	2.8
70.06498	0.6
70.77303	0.2
71.01274	1.0
71.04906	80.5
72.05247	0.6
72.08063	0.3
73.02834	3.0
75.04391	4.7
78.61275	0.2
81.03338	0.7
83.04895	8.4
84.08067	0.6
85.02824	100.0
86.03155	1.3
86.09617	0.6
87.04395	2.7
91.03874	0.3
92.10940	0.5
97.02827	4.3
99.04372	1.6
101.05933	0.4
103.03878	0.6
105.06960	1.8
109.02811	1.3
111.04400	4.1
115.03797	0.3
127.03878	3.4
129.05438	23.8
130.93217	0.3
130.99779	0.3
145.04942	3.7
146.08080	1.0
147.06490	15.3
163.06000	1.9
164.09128	4.4
165.07538	0.3
195.44513	0.3
215.10217	0.3
255.08524	0.5
273.09552	1.8
285.13168	1.1
302.15878	0.4
309.11578	1.6
332.62802	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43694	3.2
54.33129	3.3
54.81590	3.0
55.05442	4.8
55.71043	3.0
56.96495	18.6
57.03348	16.5
60.05574	4.4
62.06014	49.0
64.11934	3.7
67.05424	29.9
69.03345	82.2
69.06964	6.2
70.06499	10.0
71.04872	5.5
73.02827	23.5
73.06454	7.7
79.05400	7.9
81.06976	89.3
83.04892	16.9
83.08510	4.0
84.04454	4.3
84.08095	5.1
85.02805	26.9
86.09576	3.9
87.04411	5.5
91.05379	16.0
93.04476	4.1
93.06949	17.8
95.04882	8.4
95.08539	46.8
97.02802	6.0
97.06413	6.0
99.89990	4.8
102.04609	4.4
105.06950	44.8
107.04913	3.8
107.08538	31.7
109.06438	7.0
109.10105	20.4
110.06454	4.6
110.07108	38.5
115.03897	8.9
119.08507	31.9
121.06423	4.9
121.10073	16.6
123.07998	4.6
123.11661	100.0
127.03874	15.5
129.05429	79.1
131.04872	6.6
131.08502	21.9
133.10106	29.9
134.99561	4.8
135.11606	5.9
137.05928	6.4
143.06996	9.1
145.06525	4.7
145.10107	20.2
147.11647	43.3
149.13196	4.1
159.11682	17.6
161.13222	49.1
162.06744	5.1
165.09056	5.3
173.13208	34.4
177.00613	8.0
189.12724	10.0
191.14192	4.7
201.12634	5.0
207.13901	5.7
213.81447	4.2
219.13777	10.0
221.15338	6.6
237.14793	25.5
239.16335	21.1
251.16438	6.7
267.93936	4.1
269.17264	35.5
387.10928	6.8
402.27631	6.0
447.68396	4.0
448.27893	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	448.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23850	0.8
55.22971	0.8
57.07007	13.6
58.06519	1.5
62.08808	1.0
69.05508	0.9
70.06509	26.1
71.08545	3.7
73.74852	0.8
73.80338	0.9
76.97434	1.0
87.80495	0.9
87.98418	0.9
88.07553	26.0
89.05976	1.0
91.05404	4.3
102.09121	22.7
104.02554	4.9
117.00983	1.3
119.04892	2.3
132.02031	16.3
136.01541	13.5
137.21140	1.0
141.58899	0.9
147.04393	41.4
148.05151	4.2
149.02374	1.6
175.03868	73.5
176.04581	4.1
180.04132	16.4
191.07022	4.1
215.02211	1.5
219.06490	100.0
220.06862	2.3
256.26285	48.8
257.26608	1.4
298.24216	1.0
381.36395	1.1
448.30484	88.2
449.30792	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	449.1075
Annotation	Astragalin
Peak:m/z	Relative Intensity
51.62850	0.7
52.43355	0.7
53.03883	1.3
53.44712	0.7
54.81739	0.7
55.05451	1.7
56.04969	1.2
56.96486	1.3
57.03363	1.2
60.04472	0.7
61.02857	1.5
66.81271	0.7
69.03339	6.3
70.06515	18.2
71.04915	1.5
72.08067	7.1
73.02853	0.9
74.06000	1.0
79.05410	1.7
81.03329	1.3
81.06977	0.8
84.04416	4.6
84.08067	11.0
85.02827	11.7
86.09631	15.6
88.03934	1.3
91.05402	1.1
93.06982	1.0
97.02803	4.1
98.97504	1.6
102.05478	1.1
105.06976	1.8
107.04935	0.9
107.08495	0.9
109.02829	1.6
110.07114	4.6
111.00764	1.2
116.98627	1.4
118.82439	0.8
119.08533	1.6
120.08054	4.1
121.02833	4.1
127.03913	1.3
129.10194	4.8
137.05952	2.9
140.84448	0.9
146.99637	0.8
151.03906	1.7
153.01810	7.7
159.09189	0.9
165.01817	1.6
183.02840	1.1
188.07185	1.3
213.05417	1.4
237.02765	1.8
246.08328	0.8
258.05139	1.8
287.05438	100.0
288.05676	1.8
404.83768	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57644	2.7
54.45615	2.8
54.81590	3.4
55.05441	18.7
57.07004	41.9
62.97021	2.9
64.46537	3.2
65.03859	7.8
76.77866	3.4
81.06966	3.6
83.04896	100.0
83.05655	3.6
84.02903	2.8
87.32123	3.4
91.05408	7.9
95.08575	3.8
98.98400	19.3
105.06983	3.9
115.05357	3.9
128.00006	3.1
141.06943	4.3
147.11745	10.3
149.43787	3.6
151.01526	19.7
152.73022	4.3
163.01485	6.0
175.01515	14.0
181.02505	4.6
185.23120	3.6
211.16924	4.4
260.99207	4.4
319.08148	3.5
337.02240	67.9
338.74875	4.0
376.64633	4.2
393.08521	87.5
394.08890	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	449.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81376	0.4
55.01807	2.3
55.02044	0.4
56.04966	1.8
56.41299	0.3
57.46347	0.3
60.04427	0.4
61.01077	0.9
65.03871	0.4
67.05424	0.6
68.99737	0.4
69.03339	1.7
70.06510	0.8
71.04900	2.5
71.31313	0.3
81.03321	0.5
83.04920	0.4
84.04424	87.3
84.08068	0.5
85.02816	2.9
87.04394	0.7
87.82684	0.4
91.05391	0.7
95.04888	2.4
95.88747	0.4
97.02837	1.6
101.07078	6.3
102.05479	3.3
105.03296	0.8
107.04908	0.8
107.47964	0.5
109.02835	0.6
119.04879	4.4
123.04377	28.0
124.04808	0.5
127.03845	0.8
129.10278	0.5
130.04961	100.0
131.05295	0.8
135.04384	2.4
137.02333	0.6
137.06042	2.3
139.03870	9.4
147.04385	15.9
147.07611	64.8
148.06012	1.5
148.07977	0.7
151.03871	67.6
152.04190	0.5
153.05450	1.8
161.05945	3.7
163.03799	4.2
165.05463	6.3
167.07086	0.5
173.05956	3.0
175.03812	0.5
177.05429	0.5
179.06990	1.0
180.07881	0.5
181.04904	3.8
189.05426	0.8
190.70888	0.4
193.04898	2.0
197.05969	0.5
197.92162	0.5
203.06844	0.5
207.06508	2.0
207.33958	0.4
215.07048	0.6
248.89116	0.5
285.07373	1.8
297.69174	0.5
303.08566	22.3
304.08575	0.5
447.60886	0.5
449.14938	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	2.8
54.81834	0.9
55.01800	2.2
55.05437	7.8
56.04969	14.5
56.96502	2.2
57.03379	6.1
60.04438	3.2
61.01081	5.8
61.02843	1.6
67.05424	1.5
68.04939	1.5
69.03336	7.1
69.06986	2.5
70.02881	1.4
70.06509	89.4
71.06854	2.2
72.07712	2.0
72.08071	32.1
74.05994	10.5
78.04590	1.9
79.05413	11.6
81.03342	2.4
81.06973	8.9
83.04918	5.1
83.06040	2.6
84.04425	25.9
84.07594	2.7
84.08068	56.7
85.02831	8.0
85.04734	1.4
85.08388	1.9
86.05976	1.7
86.09626	56.5
87.09943	6.1
88.03909	5.5
90.05454	1.6
91.05397	12.2
93.06966	5.9
95.04892	10.1
95.05940	1.6
95.08495	1.9
96.08070	1.5
97.02814	9.4
98.97536	2.0
99.04342	1.9
99.08022	1.5
101.05913	1.9
101.07055	2.1
102.05487	7.4
103.05379	8.8
104.05280	1.9
104.42458	1.7
105.06992	14.9
107.04915	13.6
109.02814	1.8
109.06491	1.9
110.07122	23.0
112.07583	7.5
112.08675	5.5
113.07093	2.5
115.05408	1.9
116.07035	6.8
116.98528	5.9
118.04069	1.4
119.04906	4.8
119.08522	2.4
120.08055	30.6
121.06448	6.8
122.03552	1.6
123.04382	17.5
123.07996	2.4
124.05181	6.3
125.06015	1.6
126.09042	2.2
127.03868	2.0
127.08582	2.3
127.09472	1.6
129.10197	23.3
130.06470	6.4
130.10464	1.8
131.04889	36.9
131.08569	2.0
133.02843	2.9
133.06429	9.0
133.10046	2.5
134.99635	2.7
135.04449	1.8
135.08044	2.3
136.07518	6.4
137.05952	15.3
140.04655	8.5
143.11784	1.5
145.05028	1.6
145.06387	2.3
145.10085	1.5
147.04372	7.8
148.05121	2.3
149.05978	5.4
151.07495	6.0
152.04634	3.3
153.05444	8.5
155.07050	6.5
159.04373	12.3
159.11632	1.8
161.05960	11.8
163.03854	1.8
163.07437	11.5
165.05354	1.7
165.06987	1.3
165.09067	6.1
167.06995	100.0
171.04483	2.0
175.07446	2.8
176.04630	10.0
177.00641	1.7
177.05408	5.0
177.06779	1.6
179.06996	5.8
181.06541	1.9
182.07294	2.0
191.06952	19.5
193.06384	2.7
195.07979	2.9
199.07333	1.9
201.12260	3.2
203.06989	8.2
207.08005	5.4
210.06699	2.1
215.13745	1.6
218.06984	1.7
221.05884	3.1
223.07492	2.6
223.09563	1.8
225.09177	2.6
228.81410	1.7
233.15063	1.6
235.07520	6.2
237.02788	3.3
237.05290	2.9
237.13060	1.4
239.06895	2.1
251.06924	2.4
253.08641	3.0
263.06894	2.3
267.10028	6.2
269.07941	2.9
279.06607	2.2
280.07288	1.6
281.08127	2.8
283.09589	2.8
285.11188	1.9
293.07925	1.5
295.09558	6.4
307.10699	3.3
308.10849	1.8
312.09866	1.9
313.10654	3.0
315.12595	1.7
327.12177	2.7
330.10867	22.4
344.12482	23.2
345.13239	27.2
357.13165	2.3
403.01526	1.4
421.13782	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01814	0.7
55.05443	3.1
56.04973	43.4
56.96503	0.7
57.03362	0.7
57.67514	0.5
60.04464	4.5
61.01076	27.0
67.05427	0.9
68.04946	4.8
69.03345	3.2
69.06989	13.9
70.02856	0.6
70.06136	1.1
70.06508	28.7
70.06894	1.0
71.04911	0.9
71.06831	0.8
72.08067	19.5
74.05991	3.0
74.07952	0.6
74.75949	0.6
77.96088	0.6
79.05416	0.8
81.06995	0.6
83.04906	0.9
83.06033	0.8
84.04424	29.0
84.08060	16.7
85.02818	3.9
85.04762	0.7
85.07580	0.7
85.08387	1.0
86.09623	100.0
87.04376	0.8
87.09962	1.5
88.03906	1.5
89.48473	0.7
91.05411	3.8
92.10364	1.4
92.10899	1.3
95.04920	1.2
95.06013	1.3
96.04404	3.6
97.02831	2.7
98.97530	1.2
102.05460	10.2
104.05264	68.5
104.57464	0.8
105.07034	1.9
107.04881	2.8
110.07113	12.5
112.08657	0.8
113.07069	54.9
114.05521	0.7
115.08635	1.2
116.07000	1.1
119.04910	1.1
120.08067	2.8
121.06408	2.3
123.04388	3.2
129.10191	8.0
130.04970	14.2
130.06458	0.7
133.02818	2.9
134.99643	0.7
136.07561	4.3
137.05952	4.9
138.06340	0.8
139.03841	0.9
140.07109	0.7
143.11789	3.7
146.99579	0.7
147.07643	3.2
148.06020	23.5
148.51387	0.6
151.03889	4.6
152.07007	0.9
154.08650	1.1
156.07669	2.7
161.05974	3.8
161.07396	11.5
163.03856	0.8
165.05414	0.7
165.08968	0.8
171.11252	8.6
173.12900	0.7
177.00722	0.6
177.05511	0.7
185.16475	1.5
189.06906	5.8
189.08992	1.5
193.04900	9.2
207.10202	1.0
219.01669	0.7
231.09718	1.2
237.02782	1.3
257.13107	4.4
279.10034	18.2
302.15198	5.7
303.08508	1.5
306.23438	0.7
307.43692	0.8
316.04550	0.8
336.12115	7.8
431.19489	0.8
449.16379	1.2
449.20697	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	449.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27832	2.0
64.65624	2.2
67.05418	2.2
69.06980	5.6
69.71926	2.0
71.65203	2.3
79.75797	2.3
81.06996	3.5
82.10751	2.4
86.09630	100.0
90.05600	2.2
92.10233	3.2
93.26233	2.5
97.54282	2.5
102.80040	2.8
107.08560	2.3
109.06483	4.2
131.69305	2.5
157.50990	2.5
202.71764	2.6
317.34445	2.4
376.31998	18.2
404.31500	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	450.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	0.6
55.01806	2.9
55.05435	0.4
55.52109	0.3
56.04965	0.4
57.03377	0.6
60.82536	0.3
65.03841	0.4
67.05424	0.8
68.99699	0.5
69.03333	0.9
70.06507	3.7
72.08067	3.3
79.05386	0.6
81.03336	0.9
84.04420	5.6
84.08058	3.7
85.02808	2.5
86.09629	2.9
91.05390	2.0
92.10948	0.4
92.64236	0.4
95.04891	3.1
97.02775	0.9
99.44946	0.4
99.53466	0.4
100.42178	0.3
102.05476	2.3
105.03311	1.6
107.04893	0.8
109.02766	0.4
110.07088	0.8
111.04368	1.6
119.04874	6.3
120.08002	3.2
120.81508	0.4
123.04373	39.7
124.04686	0.4
127.03852	1.9
129.06955	0.6
129.10188	2.4
130.04930	2.2
130.08583	0.6
134.99609	0.5
135.04362	3.4
137.02299	0.6
137.05939	2.6
139.03868	14.6
143.04910	0.5
147.03197	0.8
147.04375	23.6
147.07999	0.8
148.04958	0.4
148.06021	3.1
151.03871	100.0
152.04199	0.9
153.05385	3.1
161.05925	4.7
163.03870	4.8
163.07489	0.6
165.05428	9.1
168.53438	0.4
173.05956	4.0
174.52496	0.3
175.03891	0.7
175.07396	0.5
177.05396	1.7
177.10219	0.8
179.03334	0.5
179.06981	3.2
181.04930	5.8
184.82288	0.4
189.05405	0.8
193.04942	4.6
197.06029	0.6
207.06526	4.0
207.10170	1.5
211.07503	0.5
215.07069	0.7
217.08556	1.8
223.09628	0.7
239.06923	0.8
243.06593	0.5
246.38519	0.4
267.06537	0.6
285.07440	3.3
303.08557	55.8
304.08856	1.7
450.27237	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33434	1.3
53.00231	2.5
53.03873	3.1
54.81550	1.3
55.01804	1.6
55.05457	18.4
56.04718	1.4
56.04971	12.6
57.03371	20.2
59.04919	10.9
60.04444	6.3
61.01070	2.8
61.02832	2.5
67.05435	1.6
68.04948	2.0
69.03352	46.4
69.06979	7.7
70.06511	100.0
70.06894	3.4
71.04906	2.0
71.06815	2.0
72.07669	1.8
72.08072	55.2
74.05985	8.3
75.04398	2.1
79.05420	1.8
81.03329	10.8
81.06957	2.8
83.04891	11.2
84.04423	36.9
84.08068	63.2
84.08829	1.8
85.02351	2.1
85.02834	50.7
85.08360	2.8
86.09630	60.8
86.10159	2.2
87.04399	24.6
87.05494	2.5
87.09949	1.5
88.03890	7.0
91.05394	20.4
92.10916	2.3
93.06969	11.0
95.04878	5.6
95.06006	1.7
95.08527	2.8
95.25650	1.4
96.04430	1.7
97.02822	43.1
98.05960	2.2
99.04382	1.8
101.05949	2.7
101.07073	1.8
102.05466	10.6
103.05396	8.8
104.05237	2.2
105.06947	6.9
107.04916	3.3
107.08531	6.9
109.02813	2.4
110.07115	36.0
111.04384	3.1
112.07571	2.0
112.08685	2.3
115.03871	27.6
115.08664	3.0
116.07003	7.9
117.06958	8.7
119.04911	6.2
119.08565	2.0
120.07228	2.5
120.08060	51.9
121.06455	92.3
121.10166	1.7
123.04330	3.8
127.03876	10.0
128.06030	1.8
129.06883	2.1
129.10210	37.1
130.05028	2.2
131.04884	1.9
131.08516	2.6
133.04944	22.0
133.06425	7.0
135.07976	1.8
136.07495	8.0
137.05946	22.1
138.06332	2.3
138.09085	2.2
139.03870	2.7
139.07469	9.9
141.10158	1.7
143.08510	1.8
145.04895	4.1
145.06419	9.2
145.10060	2.1
149.06094	1.9
157.09923	1.8
163.07484	12.3
167.06960	2.6
173.12860	2.0
177.05428	3.5
177.10110	1.9
183.11237	3.0
187.07503	14.9
199.14607	2.0
201.12305	9.2
202.56203	1.8
205.08560	9.0
217.08527	3.6
223.10672	3.2
237.07478	2.2
253.14323	2.6
271.11664	1.7
451.21310	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32191	4.1
81.06987	4.4
82.05241	6.0
83.06011	37.3
84.08049	5.1
87.13251	3.9
91.05404	8.1
95.06004	60.0
95.08488	5.8
109.06364	26.1
110.07104	27.8
119.08562	7.3
147.08017	37.3
161.09555	6.9
192.72520	4.3
210.60573	5.1
263.08694	4.9
284.38348	4.4
388.23611	9.0
400.83823	4.5
406.24808	100.0
407.24826	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	450.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	1.9
54.81772	1.2
55.01810	1.9
55.05224	1.3
55.05450	23.2
55.99308	0.9
57.03146	1.2
57.03373	25.3
57.07010	2.7
67.05424	94.0
69.06982	19.7
70.65437	1.2
77.95892	1.1
79.04961	1.8
79.05405	50.4
79.95300	1.1
81.06971	85.4
83.04913	1.4
83.08517	7.7
85.06440	1.3
91.05403	25.6
93.06969	53.6
94.51062	1.4
95.04893	4.9
95.08530	57.1
97.06464	2.6
97.10089	1.2
98.97738	2.7
98.98391	82.7
99.83918	1.1
105.06970	13.5
107.08532	26.9
109.06450	2.6
109.10104	21.0
116.99454	2.7
117.06944	5.4
119.08551	10.0
121.10087	19.1
123.11636	8.2
131.08514	9.9
133.10083	8.8
135.11667	12.7
136.74757	1.2
145.10100	5.8
147.11699	1.9
149.13188	5.7
153.40196	1.6
155.01044	9.0
159.11656	5.3
161.13161	2.2
163.14743	2.4
173.02007	8.4
173.13245	1.9
178.15544	1.5
243.21016	6.4
261.22003	20.2
281.80304	1.6
308.35431	1.4
335.25735	100.0
336.26138	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	450.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82001	2.9
55.05451	19.4
56.04965	4.0
56.96498	5.0
57.03358	4.6
59.04920	3.4
63.20789	2.7
63.70976	3.1
65.50478	2.8
65.57475	3.0
67.05433	31.3
68.61478	2.9
68.73965	3.3
69.03334	12.7
69.06985	26.5
69.34489	2.6
70.06499	17.1
71.04909	62.7
72.08073	13.3
75.84434	3.0
79.05412	18.8
81.03372	3.3
81.06970	66.4
83.04903	3.6
83.08550	6.6
84.04443	5.5
84.08056	15.3
85.02829	30.3
86.09620	22.0
91.05407	19.7
93.06963	51.6
94.88974	3.1
95.04877	36.1
95.08532	27.1
97.02808	5.3
97.06451	6.1
97.15298	3.2
98.97495	5.0
101.44328	3.1
105.06973	53.4
107.08530	100.0
109.02811	3.6
109.06443	5.8
109.10101	54.0
110.07114	4.5
111.08014	33.4
116.98547	3.3
119.08498	38.7
120.08055	8.0
121.10091	25.0
123.11638	5.7
125.09568	39.6
129.10196	7.1
131.08566	13.4
133.10066	29.0
135.11632	37.3
136.07556	4.0
137.05962	7.4
137.09642	4.9
139.11028	3.5
145.10121	23.2
145.25673	3.7
147.08035	4.3
147.11656	76.5
153.12715	50.5
157.10115	5.1
159.08157	3.4
159.11652	5.0
161.09586	6.4
161.13187	4.1
175.11194	4.1
175.14845	6.4
185.09573	3.4
189.16367	29.5
199.14743	4.8
217.15800	28.6
235.16852	43.9
253.12135	7.6
253.17900	88.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05462	3.3
57.07001	13.6
57.90726	2.5
62.06033	2.7
62.96736	2.7
66.27187	2.7
68.30853	2.9
68.48270	2.7
70.06506	30.9
81.06972	3.1
88.07541	12.3
89.05947	12.5
93.06968	4.4
105.06961	3.0
107.44305	2.7
114.09125	19.1
151.59731	2.8
165.49535	2.9
176.12794	20.9
220.15401	6.8
256.26303	7.4
282.19064	5.5
300.28815	5.9
344.31738	3.8
450.37833	100.0
451.37830	3.6
473.30521	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	450.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00243	1.3
54.35394	0.8
56.43671	0.8
56.46370	0.9
57.07014	15.9
58.06519	5.1
64.93537	0.8
67.05431	1.4
70.06138	1.7
70.06509	46.6
71.08543	4.8
72.08057	5.4
81.06959	1.0
84.08073	8.2
85.10107	1.4
86.09612	11.1
88.07539	6.1
89.05966	7.2
102.09116	1.9
114.09109	5.6
129.74715	1.0
132.10182	14.8
137.05933	2.0
146.11749	12.7
163.29771	1.0
166.08687	1.1
176.12747	1.9
212.23724	4.5
220.15372	1.3
238.25301	4.5
256.26456	6.5
266.45300	1.0
271.07040	0.9
292.29138	1.1
300.28906	63.2
300.32312	2.2
301.29407	1.8
312.14722	1.1
344.31546	17.0
388.34152	17.1
450.37775	100.0
451.09763	1.6
451.22696	2.0
451.38126	4.9
473.64581	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76167	0.9
55.05439	1.2
56.96498	1.3
57.07006	12.1
58.06526	5.4
62.92848	0.8
65.62972	0.8
67.05428	1.0
67.45243	0.8
70.06510	41.5
71.08536	2.1
71.54208	0.8
72.08066	4.3
84.08069	11.8
86.09625	9.8
88.07559	3.8
89.05939	8.2
98.98396	1.0
109.01714	0.9
114.09124	10.0
114.36510	0.9
133.06482	4.9
134.06816	2.1
172.95274	1.0
176.12772	10.3
178.86797	1.1
190.14322	8.7
212.23747	5.6
222.98027	0.9
238.25249	3.3
241.42526	0.9
256.26382	2.2
344.31516	89.3
345.31766	1.8
450.37802	100.0
451.38187	4.8
455.94330	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06091	5.5
55.05443	13.0
57.03374	88.6
57.07005	100.0
60.16362	5.2
67.05415	23.4
69.06976	23.6
71.08537	61.6
75.04381	61.2
81.06946	28.6
83.08529	11.7
85.10112	27.9
91.64822	7.8
92.10262	13.9
95.08543	54.0
97.10095	10.5
102.83305	5.5
104.80848	6.3
109.10072	9.7
109.97016	5.3
123.71709	6.2
131.06996	6.8
245.66747	6.5
267.26703	11.3
283.26154	32.1
317.09619	7.0
341.30374	44.9
415.34000	78.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81065	2.6
53.03865	7.1
55.05443	33.3
57.07010	38.4
63.22220	2.7
63.66230	2.9
67.05428	3.7
67.67771	3.4
71.04892	16.5
74.99936	4.3
81.06962	5.0
82.98886	13.2
83.04888	83.6
84.43133	3.2
85.81377	3.2
88.96874	4.1
91.05393	7.5
93.06964	3.9
95.04884	13.3
95.08527	5.3
98.98390	5.6
111.80617	4.0
117.00954	35.6
129.75929	3.3
135.02068	14.6
136.06520	3.5
147.02005	13.9
147.11646	6.6
165.03082	39.2
175.01495	100.0
275.06668	17.6
313.12204	5.4
331.12985	34.8
339.03580	5.0
349.68460	3.8
353.26852	4.3
358.84280	3.8
377.08963	18.5
387.19174	6.7
391.17795	4.5
395.10168	55.0
433.15082	3.8
451.16339	7.7
470.47235	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	451.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	4.2
55.05461	21.1
57.07014	31.2
59.06040	4.0
61.43182	1.9
63.03521	2.1
70.06516	2.0
71.04895	14.6
74.99919	3.7
79.35270	2.1
82.98870	11.0
83.04437	3.7
83.04902	64.9
86.47435	2.6
91.05462	3.9
95.04881	4.1
98.98389	5.4
108.89235	2.6
117.00961	28.4
130.88841	2.2
135.01988	9.1
147.02036	15.2
147.08025	6.0
147.11674	4.7
165.03102	23.2
175.01512	100.0
181.02577	12.7
193.02538	4.6
227.04686	6.0
231.07727	3.7
275.06638	10.7
313.11938	5.8
331.12961	41.3
355.29865	2.7
377.09030	12.5
387.19150	13.9
395.10278	20.0
407.16928	2.5
433.15210	13.8
451.16409	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	0.6
56.04972	0.3
56.96511	0.1
57.03365	0.2
60.04452	0.1
64.33099	0.2
67.05424	0.3
69.03347	0.2
69.06999	0.2
70.06511	3.6
71.04919	0.2
72.08060	1.2
74.02370	0.2
79.05423	0.1
81.06970	0.3
84.04422	0.8
84.08064	1.7
85.02830	0.4
86.09625	29.2
87.09956	0.3
88.03907	0.3
91.05399	1.2
93.06971	1.6
95.04889	0.3
95.08549	0.3
97.02817	0.2
103.05407	3.6
105.07002	0.3
107.04881	0.3
110.07133	1.3
116.06986	0.2
120.08056	100.0
121.08396	2.0
121.10048	0.2
127.22163	0.2
129.10196	1.1
130.06531	0.8
132.08035	0.3
134.04488	0.3
135.08073	0.3
136.07549	0.3
137.05936	1.1
143.11768	10.1
153.05437	0.5
171.11212	2.3
209.04364	0.6
217.91199	0.2
219.58032	0.2
235.10800	0.2
266.43607	0.2
273.15933	0.6
281.11261	10.7
318.17923	1.2
343.49448	0.2
392.69193	0.2
433.20749	0.3
451.17255	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86049	0.6
55.05449	9.6
55.28834	0.6
55.98556	0.6
56.96505	49.7
57.03368	5.5
57.07010	3.5
58.01318	0.6
61.08942	0.6
65.37671	0.6
67.05428	6.3
69.06995	11.9
71.08554	0.8
71.95172	4.2
72.95951	1.5
74.97524	2.7
79.05425	2.8
81.06964	7.6
83.08541	5.7
84.95961	1.1
92.10920	0.9
93.06989	3.6
95.08544	5.5
97.10081	5.1
97.96738	1.2
98.97501	2.7
98.98403	1.3
107.08550	1.6
109.10153	1.2
110.97523	1.7
112.99965	43.7
115.97809	3.3
116.98570	3.4
121.10084	1.3
123.01158	1.1
123.11683	1.1
128.98543	7.5
131.00099	1.5
131.00986	0.9
133.98831	1.7
134.99638	1.1
135.11668	1.3
137.02763	0.9
141.02217	1.6
146.99640	11.0
149.01180	3.3
153.00771	0.8
155.03770	3.1
161.01175	1.5
165.00667	3.8
167.02257	1.3
169.02594	22.7
173.04788	0.7
179.02219	1.5
189.04288	3.9
203.05859	3.1
204.66681	0.7
217.07376	1.4
239.09485	0.8
245.10571	4.4
249.11816	0.8
267.25482	0.8
279.12579	0.9
297.13745	1.5
317.17822	100.0
318.18143	2.8
319.19501	1.1
333.17319	1.1
335.18872	89.1
336.19174	3.4
339.28848	12.3
353.19919	2.7
353.30496	1.0
358.20557	6.1
391.21524	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05439	15.9
56.96500	61.5
57.03355	3.0
57.07009	9.7
64.33901	2.3
67.05415	14.2
69.06979	18.3
71.95179	4.2
79.05405	4.0
81.06960	19.8
83.08532	6.6
93.06969	11.6
95.08535	20.1
97.10096	5.4
98.98379	29.8
106.51135	2.5
109.10039	3.1
112.99973	23.4
121.10125	3.6
128.98523	3.7
133.98911	3.4
146.99571	13.5
155.01001	5.9
155.03746	3.4
165.00729	5.0
189.04449	3.5
257.10391	4.7
271.59650	3.1
271.62653	3.2
279.26660	4.8
309.41611	2.7
317.17801	100.0
335.18860	78.1
339.28668	3.9
353.30487	10.3
358.20602	6.0
391.21408	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	452.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27784	0.8
51.92595	0.8
53.03891	0.9
55.05440	4.7
56.04964	4.6
57.03374	7.5
60.04451	5.0
61.02850	5.4
65.03866	1.3
67.05418	1.0
68.04980	1.4
69.03349	8.0
69.06986	1.8
69.63827	0.9
70.06519	32.9
71.04908	23.1
71.06821	1.1
72.08070	29.6
73.02840	2.3
73.08395	1.8
74.05970	4.5
75.04361	1.7
79.05378	1.3
80.29102	0.9
81.03310	1.8
83.04906	1.7
84.04420	13.0
84.08073	20.6
85.02831	40.7
85.03342	1.6
85.08379	1.1
86.09631	13.6
87.04368	1.1
87.05535	1.5
87.09943	1.3
88.03926	1.9
91.05374	1.8
95.04919	2.0
95.79398	1.1
97.02822	5.5
99.02605	4.3
99.04383	1.3
100.07583	1.2
102.05464	6.8
105.06964	1.3
107.04893	1.4
109.02816	4.3
110.07128	11.9
111.04427	1.1
112.08686	1.4
116.07034	2.5
116.98534	1.3
120.08063	5.0
123.04401	5.5
124.07546	1.2
126.03709	29.3
127.03801	2.4
128.10689	2.0
129.10176	9.1
134.99632	1.2
136.07576	1.5
139.03877	11.8
144.04764	100.0
151.03859	1.4
163.03920	1.5
165.05414	1.8
165.07062	1.0
171.14877	1.4
186.05775	4.7
192.34308	1.3
201.12361	1.5
217.85414	1.2
251.20119	1.0
306.10016	44.6
358.87970	1.1
452.15469	1.7
453.13324	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	1.7
55.01797	1.8
56.04952	1.7
56.30552	1.1
57.03367	38.1
59.04921	6.4
60.04449	1.8
60.22195	1.1
61.02841	2.0
69.03343	100.0
73.02812	3.1
74.05988	13.8
75.04379	7.1
81.03316	6.4
84.04420	1.4
85.02821	76.4
86.09613	5.2
87.03864	2.5
87.04383	61.7
95.04846	1.5
96.06935	1.3
97.02817	64.0
98.97496	2.2
99.04361	1.5
103.03820	1.7
109.02822	54.0
111.73554	1.2
115.03072	2.6
115.03868	57.9
116.98572	1.4
123.04352	2.0
127.03855	5.8
133.02815	20.8
133.03886	2.5
133.04910	56.4
137.05902	5.7
141.05429	27.7
145.04942	6.2
145.54198	1.4
147.04366	1.9
150.07562	7.6
151.03789	2.3
165.05434	18.3
177.05406	7.3
207.06377	1.7
219.06404	5.2
232.47621	1.5
237.02698	2.2
237.07500	7.0
271.03238	1.4
279.07623	1.7
393.10513	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	452.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03887	1.4
55.01804	1.0
55.05450	1.2
56.04958	3.5
57.03370	8.9
60.04463	0.7
61.01073	0.5
61.02843	1.1
65.03855	1.2
67.05412	2.7
69.03339	3.9
69.06975	0.8
70.06136	1.0
70.06505	20.9
71.06828	1.0
72.08070	9.9
73.02794	0.5
73.61195	0.5
74.05979	3.7
75.04373	3.0
79.05390	0.7
81.03337	1.2
83.06015	0.7
84.04423	8.9
84.08061	15.0
85.02824	12.2
85.08376	0.9
86.05985	0.7
86.09616	7.9
89.86013	0.5
91.05401	0.8
93.03324	0.7
95.04897	23.1
97.02831	3.9
98.05968	0.9
98.97472	0.7
101.07069	2.3
101.10812	0.6
102.05451	0.9
103.08623	4.9
105.04442	0.8
105.06937	0.8
108.46503	0.6
110.03578	1.0
110.07124	6.5
111.04389	2.5
112.08652	0.6
113.07072	0.6
116.07026	0.8
118.06483	0.7
120.08040	2.9
121.02792	1.1
121.06483	0.7
123.04379	20.9
123.41570	0.5
125.02319	1.1
127.03835	1.2
128.10709	0.6
129.10204	7.3
132.10188	0.7
136.07532	3.2
137.05963	1.4
139.03882	3.0
140.04654	100.0
145.04939	0.6
146.05956	1.2
151.10837	0.5
154.02631	0.9
155.07002	34.3
155.08098	1.3
167.03360	2.3
169.01239	3.9
170.05890	1.3
173.08070	6.9
173.12871	1.1
177.00696	0.7
181.04915	18.1
183.06422	0.9
184.03629	51.4
188.06970	4.0
197.04330	1.1
199.05977	58.1
199.98790	0.6
205.09868	0.6
225.10143	0.9
239.08005	1.1
240.08864	1.1
253.09576	2.8
255.08542	0.9
273.09604	24.6
290.15076	4.5
313.11630	1.0
368.45444	0.6
422.52896	0.6
429.17010	0.6
452.20108	4.1
452.74994	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03869	0.3
55.01803	0.5
55.05429	1.3
56.04960	1.7
56.96491	0.4
57.03359	0.4
60.04427	0.5
61.02829	0.4
65.03815	0.3
65.37160	0.3
67.05405	1.1
69.03333	1.9
69.06967	1.5
70.06503	15.6
71.04887	0.6
71.06823	0.6
72.08063	7.5
73.08430	0.3
74.02367	0.3
74.05962	1.7
79.05408	0.6
81.03339	0.5
81.06952	0.6
82.06501	0.3
83.04876	0.4
83.05984	0.6
84.04425	5.1
84.07604	0.5
84.08064	10.2
85.02821	4.1
85.08395	0.3
86.09621	10.5
87.09914	0.4
88.03889	0.4
91.05409	2.8
92.40323	0.3
93.06961	0.5
94.44276	0.3
95.04879	1.9
95.08501	0.3
96.84736	0.3
97.02813	1.5
97.06435	1.1
98.97482	1.1
99.04332	0.4
100.07255	0.3
102.05450	1.8
105.06957	0.5
106.66132	0.3
107.04886	1.1
109.02831	0.5
110.07109	4.0
112.08662	0.5
113.07053	0.4
115.08663	0.4
116.07044	0.6
116.98557	1.4
119.04892	1.1
119.08483	0.3
120.08039	3.0
121.02774	1.8
121.06384	0.4
123.04366	2.6
124.05145	1.2
125.05949	10.3
127.03844	0.5
129.10184	5.1
134.99576	0.7
135.04337	0.3
136.06596	0.5
136.07544	6.3
137.05939	3.4
137.07965	0.3
138.06265	1.4
139.03824	1.2
139.07510	1.6
139.08557	0.3
145.40338	0.3
151.03859	1.8
152.04567	0.4
153.05421	8.6
155.03319	1.8
156.07657	0.3
156.10097	0.3
157.13318	0.7
167.06990	19.9
170.05698	3.0
177.00600	0.5
180.04134	0.7
183.02840	12.8
185.07993	0.6
198.05183	19.3
201.12300	0.4
201.16309	0.3
208.03429	0.3
212.06662	0.5
213.07523	100.0
214.07878	1.5
237.02541	0.3
255.08546	13.2
273.09604	3.8
303.08682	0.4
382.58859	0.3
396.22125	0.3
452.12405	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	1.3
57.03365	5.3
58.06523	4.2
59.04921	4.8
60.04432	0.8
61.02845	2.0
61.08695	0.8
68.04949	3.6
69.03347	9.7
70.06502	2.1
73.02817	1.0
73.98196	1.0
76.03918	6.9
76.48597	0.9
81.03342	3.6
84.08064	1.4
85.02818	15.0
85.07576	8.4
87.04390	1.5
92.10296	1.4
97.02818	5.7
98.81993	1.0
103.08632	100.0
109.02817	1.2
113.07069	5.4
116.07018	1.2
117.06904	1.0
118.06470	14.1
125.07064	2.0
127.03880	1.6
130.06487	11.8
131.06761	0.9
132.08043	1.8
140.04665	4.2
142.06502	3.3
143.08165	1.6
143.91650	0.9
144.08072	13.4
144.76012	1.0
145.04973	0.8
146.05983	47.4
147.06329	1.3
155.07010	1.1
159.09145	6.0
161.09175	10.3
169.07564	17.5
170.05974	16.6
184.03522	1.1
188.07018	61.5
189.07416	1.5
215.08101	9.0
244.14333	1.1
273.12308	1.3
290.14905	68.7
291.15225	2.0
304.52930	0.9
452.20129	58.8
453.20511	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	452.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96508	1.4
62.52742	1.5
63.43887	1.5
67.05419	2.9
68.04935	8.6
69.06956	2.5
70.45549	1.4
72.52378	1.3
72.63686	1.3
81.04476	2.3
81.06959	2.5
82.05238	5.8
83.06017	48.5
88.00079	1.7
93.00233	1.7
93.06964	3.0
95.06010	79.9
95.08516	2.9
105.06979	11.5
107.08517	2.1
109.06320	35.6
110.07105	13.2
111.05517	1.7
116.98509	1.9
119.08517	6.9
121.06473	3.3
121.10074	2.1
131.08530	3.3
133.10147	1.7
143.08575	3.1
145.10081	6.4
155.62190	1.5
159.11671	1.8
207.81448	1.8
208.96405	2.0
255.14340	6.9
256.14444	3.7
257.88702	1.6
273.15204	1.4
298.21500	2.7
313.06241	3.1
339.07950	8.3
357.09167	1.9
369.09027	6.3
387.09778	10.5
390.25162	13.5
408.26352	100.0
409.26752	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	452.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56685	1.1
55.01802	1.3
55.05196	1.4
55.05451	40.8
57.03374	31.6
57.07002	6.5
67.05424	86.5
69.06985	45.5
71.08537	1.2
75.04385	1.1
79.05405	23.0
81.06970	88.3
83.08535	19.9
84.08855	1.3
85.06445	1.5
85.10062	1.4
91.05402	15.9
93.06969	20.0
93.07530	1.8
95.04890	1.8
95.08524	64.0
97.06446	5.0
97.10084	8.2
98.98393	78.5
105.06947	9.6
107.08545	14.5
107.14040	1.1
109.10105	26.1
111.07990	2.3
111.11642	1.2
116.99451	1.3
119.08504	6.7
121.10085	8.7
123.11636	6.4
133.10063	7.9
135.11620	4.5
137.13229	5.7
147.11636	3.0
149.13239	2.4
155.01010	16.0
161.13162	1.9
163.14706	1.9
167.12689	1.2
173.02080	2.9
175.14781	1.2
191.16116	1.4
245.22562	6.3
263.23624	13.2
337.27286	100.0
338.27725	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	453.07
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01786	1.9
55.05441	2.3
56.04967	6.8
56.96500	52.5
56.96787	1.9
57.03338	1.4
60.04440	6.8
64.05910	1.3
66.56497	1.3
67.05437	1.8
68.21380	1.4
69.03340	3.5
69.06991	2.3
70.06503	42.2
71.06821	1.8
72.08051	18.3
74.05988	3.0
79.05414	2.0
81.03323	1.5
81.06972	3.4
82.06538	1.6
83.05995	2.7
84.04430	20.9
84.08061	44.4
84.95956	15.9
85.02832	8.7
85.08376	1.5
86.09619	31.8
87.09953	1.7
88.03905	2.0
91.05405	6.9
93.07026	1.8
95.04891	2.7
95.08517	1.8
97.02837	2.7
98.97504	73.3
102.05472	7.7
102.70455	1.6
102.97039	2.5
105.06954	1.6
107.04893	2.7
110.07113	23.3
110.97497	11.6
112.08639	3.2
116.98563	100.0
120.08054	6.9
123.04372	1.7
128.98555	37.5
129.10197	18.2
130.06508	6.1
131.00128	3.7
131.04924	1.9
133.02798	10.9
134.99619	99.8
136.07547	8.3
137.05981	11.4
143.00124	8.1
144.80811	1.7
146.06004	3.2
146.99622	74.2
149.01143	5.3
149.06007	2.1
153.00684	28.0
153.05389	2.0
156.07703	9.1
158.01224	2.0
158.99565	5.5
159.09126	5.9
161.01172	29.8
162.99153	1.7
165.00630	19.6
167.07037	3.0
168.52637	1.4
170.99635	3.1
173.12830	1.6
177.00716	6.3
178.02568	6.4
179.02281	7.0
185.07028	2.5
188.07153	2.5
189.00645	8.0
193.04918	72.9
194.05284	2.0
213.00667	6.5
219.01715	22.1
224.00021	1.9
227.08226	2.0
237.02757	77.2
251.99313	23.9
255.03838	11.5
260.04190	1.7
261.02774	3.6
267.01669	10.0
270.00455	29.5
273.08902	1.9
279.03934	5.9
285.02802	11.3
291.01654	2.8
295.01221	6.1
309.02737	22.5
313.02234	3.5
317.03391	2.4
321.02875	12.9
327.03842	7.9
330.00327	2.7
335.04202	7.5
339.03769	3.3
344.80542	1.8
393.04831	11.2
411.05923	25.5
453.06815	28.8
453.13422	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	453.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40902	0.7
56.96501	22.5
57.03397	1.3
61.67965	0.9
64.33677	1.0
69.03353	7.3
70.06516	2.0
72.08064	2.3
80.71310	0.9
84.04430	4.2
84.08060	2.4
84.95963	10.8
85.02823	10.3
86.09616	1.6
87.04378	2.6
97.02811	8.8
98.97511	58.1
98.98391	3.7
102.97066	1.0
110.97523	6.0
115.03883	5.0
116.98570	54.6
120.08047	3.9
123.04407	1.5
126.05486	1.7
127.03895	1.6
128.98569	21.5
129.10243	1.3
131.00143	2.0
133.04921	5.2
134.99631	34.1
138.05473	5.4
139.05855	1.7
140.98598	1.6
143.00153	6.9
144.98088	1.8
145.05019	1.1
146.99612	25.5
149.01184	2.2
152.98593	3.8
153.00656	4.1
158.99629	13.5
161.01183	16.4
162.99133	6.7
165.00687	7.1
170.99623	19.6
173.01213	1.7
177.00671	25.4
177.04268	1.5
179.02180	6.6
189.00648	20.1
195.01740	4.4
201.00754	2.2
207.01802	4.7
219.01709	18.7
219.05310	1.2
231.01839	1.8
237.02783	68.0
255.03783	10.3
258.65259	1.2
261.06445	4.7
279.07465	100.0
280.07855	1.3
297.08536	34.4
302.09244	1.5
375.09546	2.1
393.10590	86.4
394.10818	2.4
411.11526	20.1
453.12680	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01814	2.0
56.96501	22.9
57.03383	8.2
58.83245	1.2
59.04923	1.5
69.03352	25.1
70.06522	1.5
72.08065	1.3
72.74653	1.1
73.02792	1.0
74.05995	11.3
74.17749	1.0
75.04386	1.3
78.01754	1.1
81.03329	1.2
84.08098	1.2
84.95968	10.6
85.02829	24.2
86.09647	1.1
87.04382	12.0
97.02818	19.2
98.97513	65.4
98.98392	5.2
102.97001	1.8
109.02812	6.8
110.03104	1.1
110.09711	1.1
110.97484	8.0
114.65828	1.0
115.03893	15.2
116.98569	57.0
127.03840	1.9
128.98570	22.2
131.00124	1.7
133.04939	9.7
134.99637	30.0
138.05513	1.1
140.98512	2.1
141.05417	4.4
143.00162	5.7
144.97993	1.7
145.04915	2.7
146.99620	29.5
149.01228	1.2
150.07576	1.7
152.98592	7.2
153.00659	1.8
158.99606	15.1
161.01176	20.8
162.99146	8.2
163.06020	1.6
165.00737	4.5
165.05421	1.6
170.99599	21.8
173.01192	1.7
174.77966	1.2
177.00679	21.2
179.02237	5.3
189.00658	19.2
191.02309	1.5
195.01686	5.0
201.00722	2.5
207.01707	5.3
219.01721	18.4
219.05226	1.6
233.14908	1.7
237.02763	69.2
255.03848	7.6
261.06381	5.1
279.07455	100.0
280.07962	1.8
297.08484	37.9
302.08807	2.2
393.10602	86.7
394.11081	1.9
411.11703	17.6
453.12500	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	453.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66535	0.7
54.82376	0.8
55.36189	0.9
56.47161	0.7
56.96235	1.2
56.96494	17.7
57.03357	1.7
59.99460	0.8
60.54640	0.6
61.02840	0.9
69.03331	7.9
70.06502	1.9
72.08065	1.3
74.05977	1.3
74.97524	0.9
75.04379	0.8
77.71138	0.7
78.47721	0.7
81.03331	1.1
84.08047	1.6
84.95961	9.1
85.02818	13.4
86.09656	0.9
87.04398	5.6
89.55556	0.7
97.02826	12.3
98.97504	52.8
98.98399	6.2
99.04347	1.0
102.96989	1.2
110.07091	1.4
110.97520	8.1
115.03858	5.6
116.07028	1.0
116.98560	52.6
127.03863	1.0
128.98581	17.2
131.00119	3.5
133.04903	4.5
134.99620	27.7
135.25940	0.8
140.00162	0.8
143.00116	6.1
144.98042	3.8
145.04944	1.5
146.99612	25.5
149.01210	1.5
151.07466	1.5
152.98531	6.0
153.00656	3.8
158.99634	10.1
161.01199	14.6
162.99129	6.5
165.00693	6.1
170.99591	16.8
173.01183	1.1
177.00653	16.8
179.02197	6.2
182.30251	0.9
189.00647	17.7
191.02312	1.2
195.01752	3.2
201.00670	3.7
201.04228	1.4
207.01736	2.0
213.00639	1.4
219.01706	19.3
231.01799	1.6
237.02756	58.8
255.03755	6.7
261.06317	4.6
262.13382	0.9
279.07443	100.0
280.07709	1.1
297.08505	38.9
302.09149	1.7
335.71747	0.9
353.85092	0.9
393.10574	76.0
411.11606	17.4
453.12750	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33879	5.8
55.91199	7.5
56.96496	10.7
64.33121	8.6
70.06514	8.2
92.10242	19.9
93.06968	8.3
95.08501	13.4
107.08506	9.7
153.33192	9.7
323.95969	8.6
370.24683	7.8
452.38660	10.8
453.10968	13.4
453.16589	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89071	0.4
50.97117	0.4
55.01805	0.6
55.05439	2.0
56.04950	2.0
56.96482	0.5
57.03357	0.8
60.04457	0.9
62.06021	4.0
67.05417	1.1
67.41755	0.5
69.03336	0.9
69.06989	0.9
70.06506	11.7
71.04903	1.2
71.06825	0.6
72.08062	5.7
73.02821	0.7
74.05988	0.7
76.02160	0.4
81.06971	0.9
82.06518	0.5
84.04392	3.7
84.08061	9.6
85.02826	3.2
86.03204	0.4
86.09629	8.5
88.03905	0.7
90.48376	0.4
91.05396	0.7
93.06943	1.1
95.04930	0.6
95.08529	1.1
97.02825	0.7
97.06441	0.5
98.97501	0.5
103.00925	0.5
103.05376	0.7
105.06956	1.0
109.10113	0.5
110.07127	3.9
112.08675	0.6
116.98427	0.5
117.07011	0.6
119.08537	0.7
120.08058	3.5
121.10092	0.6
129.10181	4.4
133.10088	0.7
136.07472	0.5
137.05954	2.0
137.09558	0.4
144.08084	0.5
161.05894	0.5
166.08627	0.6
167.06963	0.9
181.04933	0.9
206.66878	0.5
230.73108	0.5
232.06961	0.6
273.14755	0.8
307.11395	4.7
353.30612	0.5
382.02887	0.5
453.17154	100.0
454.17596	4.6
477.68091	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01799	2.3
55.05451	9.2
56.04966	11.2
56.96467	3.4
57.03371	1.9
59.04931	13.3
60.04452	2.4
61.02831	2.5
67.05425	5.1
68.77708	2.2
69.03340	12.3
69.06985	4.2
70.06503	83.6
71.04900	3.0
71.06805	2.5
72.08063	37.5
74.05993	3.7
79.05424	3.3
81.03333	3.3
81.06972	4.9
81.53039	2.7
81.53573	2.4
84.04425	23.4
84.08058	63.5
85.02821	19.0
85.06440	2.4
85.08366	2.4
86.05997	9.0
86.09620	61.6
88.03908	12.9
91.05399	9.6
92.64478	2.6
93.06944	4.5
95.04924	3.9
97.02789	3.0
98.97535	2.7
102.05468	11.1
107.08542	4.9
109.10051	3.3
110.07101	21.1
115.08634	3.8
116.07027	4.1
116.98502	3.3
117.07001	2.9
118.06468	26.6
120.08054	31.9
121.08421	3.2
121.10023	3.0
128.93639	2.2
129.10172	30.6
130.04993	2.9
130.06483	73.1
131.08510	2.9
132.08044	51.9
133.10115	4.6
135.04372	2.3
135.07928	2.5
135.11621	4.0
136.07526	10.6
137.05975	8.9
142.06509	3.0
144.08051	73.1
146.05981	74.4
147.11598	2.6
159.09137	100.0
160.07484	5.0
161.06023	3.8
161.09532	3.0
167.07166	4.8
168.08018	11.0
169.07500	3.3
170.05959	27.8
172.11128	5.6
182.09581	26.2
184.11221	14.9
187.08655	13.7
188.07013	96.6
188.08710	3.6
189.07225	2.8
189.09050	3.3
199.12225	20.1
201.13814	3.1
205.09706	15.9
210.09106	4.0
227.11748	16.8
228.10149	11.1
245.12775	63.9
273.12311	21.7
273.14786	2.9
274.04077	2.5
291.13251	60.9
291.15994	8.6
375.76163	2.6
412.16934	2.4
423.93976	2.6
453.20676	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	453.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14570	0.6
54.39743	0.6
55.05445	0.6
56.96504	35.1
57.03376	0.8
57.07005	1.2
64.66615	0.5
65.14343	0.6
65.89167	0.5
67.05432	1.2
69.06979	0.6
71.08562	1.2
71.95184	2.8
72.95967	0.6
74.97513	1.2
81.07001	1.0
83.08519	1.0
84.95956	1.0
89.05958	1.1
91.42881	0.6
92.98606	1.1
95.08539	1.2
97.96748	1.0
98.97439	0.6
98.98420	1.1
100.11198	0.7
116.98538	1.2
122.77212	0.6
128.98590	1.2
133.98865	1.3
134.99588	1.3
141.02191	1.4
141.90086	0.6
146.99628	6.3
149.01201	1.4
152.00005	0.5
155.01253	0.6
155.03789	2.7
161.01180	1.3
161.40457	0.6
165.00728	2.6
167.02255	0.7
169.05382	1.1
179.02356	0.7
189.04375	2.5
191.02161	0.6
194.01622	0.6
197.08649	0.7
239.09573	0.9
243.83134	0.6
257.10522	1.3
319.19376	26.9
320.19705	1.2
337.20425	100.0
338.20749	3.1
355.21570	7.2
360.21954	8.6
361.22131	0.7
393.23001	11.9
453.24457	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81498	0.7
55.05443	0.9
56.96500	40.8
57.03374	0.6
57.07010	1.6
66.58038	0.6
67.05428	0.9
69.06991	1.4
71.08543	1.3
71.95170	4.3
72.95949	0.9
74.97539	0.9
78.53164	0.7
81.06960	1.3
85.10137	1.0
89.05951	1.6
93.06967	0.8
95.08489	0.9
98.97501	1.1
98.98411	1.4
112.99952	3.0
115.97762	0.9
116.98570	1.2
123.01102	0.7
128.98581	3.5
133.98856	0.7
134.99664	1.6
141.02254	0.8
141.04237	0.7
146.99670	6.1
149.01199	3.3
155.00966	0.9
155.03722	2.8
158.53845	0.7
161.01170	0.9
165.00706	1.7
167.02341	0.8
169.02589	1.1
169.05359	1.4
179.02179	1.2
188.07028	1.0
189.04305	1.5
203.05771	2.2
239.14828	0.9
252.78230	0.7
257.10556	2.6
319.19299	25.1
320.19608	1.2
330.48929	0.8
337.20413	100.0
338.20532	2.4
355.21442	8.2
360.21912	8.6
393.22903	10.0
403.55209	0.8
453.29660	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	453.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	2.6
55.05443	22.9
55.58005	2.3
56.04970	2.7
56.96501	2.9
57.07019	2.8
63.25452	2.4
67.05435	26.5
67.31427	2.2
69.06992	22.7
78.94418	2.2
79.05387	29.1
81.06976	59.3
83.04901	11.4
83.08537	15.4
91.05412	24.7
92.10936	2.5
93.06973	51.2
95.04873	9.9
95.08533	72.4
95.09138	2.9
97.10087	3.6
100.11192	3.0
103.05366	3.5
105.06972	77.4
107.08535	82.4
109.06494	2.9
109.10107	39.0
111.08021	10.3
116.98579	12.7
117.06978	11.3
119.08537	100.0
121.10091	52.3
123.08005	2.7
123.11662	20.0
125.09589	3.5
131.08531	46.1
133.10092	65.4
134.99667	6.0
135.11676	24.9
143.08524	10.4
144.09343	4.8
145.10091	68.1
147.11647	27.5
149.13251	10.9
151.11148	2.9
153.09055	3.6
157.10097	12.7
158.10851	5.2
159.11668	52.2
161.13258	21.0
163.14775	15.8
171.11691	6.2
173.13187	23.7
175.14799	25.1
175.98056	2.7
177.16373	11.9
185.13170	3.5
187.14767	45.4
189.16364	45.1
191.14262	3.7
191.17902	5.6
199.14801	3.7
201.16393	57.4
203.17937	6.4
205.15828	25.9
210.18530	30.0
213.16353	26.1
215.17894	29.6
217.15944	4.0
217.19510	3.3
219.17430	28.0
227.17957	3.1
234.31764	2.9
235.16896	12.6
239.17804	3.0
241.19453	9.6
247.89941	2.7
261.18579	3.2
267.21130	10.2
272.92957	2.6
328.46927	2.6
333.64566	2.7
337.95200	3.0
357.95966	2.7
389.31778	4.6
394.22226	15.5
407.17532	3.5
407.32993	32.4
431.17435	10.6
435.32346	6.2
453.33340	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	453.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39206	0.1
53.03877	0.2
55.05449	20.9
56.05796	0.2
57.07002	0.7
59.90019	0.2
67.05421	1.0
69.06976	0.8
69.97771	0.2
70.06506	1.5
81.06959	1.0
82.06502	4.1
83.04890	2.2
83.08537	18.5
84.08062	1.2
85.06464	0.9
85.30723	0.2
86.37770	0.2
94.06530	0.2
96.08054	0.3
97.06473	0.2
98.09618	2.7
100.07542	7.0
100.11184	100.0
101.11522	1.4
110.06003	3.3
111.04385	9.2
112.04694	0.2
112.07547	3.2
112.11208	0.9
117.13872	1.7
120.32304	0.2
126.09103	2.2
127.08658	2.3
128.07033	6.2
129.05424	0.2
139.08640	4.9
140.07033	2.7
147.11682	1.1
149.13202	0.2
150.12778	0.2
164.14388	0.4
166.15869	0.4
168.53070	0.2
171.80054	0.2
182.15370	30.4
183.15755	0.9
192.13835	1.0
198.77034	0.2
209.16449	26.6
210.14856	28.0
210.31296	0.2
211.15277	0.4
226.19101	8.3
227.17537	2.1
227.19453	0.3
227.85277	0.2
228.15887	1.5
308.26965	0.8
326.27905	5.4
328.85519	0.2
335.24213	0.8
336.22705	3.2
343.30658	0.7
435.33206	12.6
453.34253	66.4
454.34506	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03367	11.8
57.24389	0.9
61.02850	1.1
62.94131	1.0
67.15702	0.9
69.03344	29.8
69.06966	1.0
70.06503	2.3
71.04900	1.3
73.02801	2.1
75.04382	4.2
81.03342	1.6
84.04391	1.5
85.02353	1.3
85.02826	27.7
86.09615	4.6
87.04395	12.0
88.26955	1.1
97.02809	14.0
98.97476	1.8
100.31660	1.2
109.02834	2.2
115.03831	5.3
115.05364	1.8
130.06525	2.0
132.08070	6.2
133.04951	1.3
136.07536	1.6
142.06494	35.6
143.07294	8.7
144.08090	12.8
152.11079	1.1
158.05948	4.7
159.06728	1.6
160.07529	100.0
161.97948	1.2
279.35168	1.2
299.19760	1.2
316.03967	1.1
322.12759	82.6
323.13120	2.5
390.72699	1.4
454.16980	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	454.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24378	1.0
55.05445	6.2
56.96502	28.1
61.51960	1.2
61.86086	1.2
63.28287	1.4
67.05397	7.2
69.06964	6.1
74.13110	1.4
79.05412	2.5
81.06979	13.1
83.04882	2.7
83.08524	3.5
86.13471	1.6
91.05402	7.0
92.10927	1.5
93.06953	15.5
95.08529	15.9
98.97506	38.0
103.12557	1.4
104.96353	1.4
105.06976	18.2
107.08545	18.6
109.10103	10.0
116.98564	57.7
119.08549	20.9
121.10103	11.6
122.10368	2.1
123.11626	6.9
125.09613	1.3
128.98534	2.5
129.01241	1.3
131.08530	9.6
133.10071	11.3
134.10426	2.3
134.99620	89.2
135.11629	5.6
143.08482	1.9
145.10110	18.3
146.10425	1.9
146.99594	8.9
147.08018	7.6
147.11664	7.4
153.00664	27.2
155.01021	2.3
158.01155	2.3
159.11650	11.2
160.11919	1.7
161.13203	3.2
165.00664	3.0
173.13155	1.8
175.14787	8.1
177.16312	2.1
187.14830	10.6
189.16357	10.1
190.16734	1.9
201.16354	10.4
202.16780	2.2
205.15874	1.9
213.16264	3.0
215.17831	6.2
219.17400	2.3
225.08025	1.8
229.07417	2.0
235.06300	2.1
235.17038	2.0
239.05759	1.8
263.05817	11.7
273.07803	2.3
275.09540	2.3
289.07419	3.5
289.10974	2.4
291.08972	7.6
293.10510	6.8
296.25616	1.6
307.08398	3.2
315.12286	2.5
327.12686	2.8
343.12015	6.0
345.13635	9.8
350.19641	1.8
352.21262	6.1
353.14246	6.3
359.15100	2.2
371.15167	13.7
377.16150	3.1
389.16345	17.6
394.22287	30.2
405.22595	1.6
407.17282	29.2
407.32715	3.2
408.33670	2.1
413.16226	11.9
431.17322	100.0
432.17416	2.8
449.18430	21.3
453.33514	3.0
454.18799	9.4
454.34048	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	2.5
54.81915	1.1
55.01814	1.7
55.05444	6.4
56.04968	1.9
57.03128	1.5
57.03374	16.6
59.04919	2.2
60.04452	1.8
61.02844	1.2
65.03848	7.2
67.05428	100.0
67.85542	1.1
69.03347	51.8
69.06974	6.1
70.06507	14.5
70.53436	1.2
72.08037	3.1
73.02818	6.1
74.05992	15.7
74.09619	3.0
75.04397	2.4
79.05407	99.2
80.05743	2.0
81.06512	2.5
81.06974	75.7
82.07285	1.4
83.06017	1.2
84.04420	6.5
84.08074	10.7
85.02346	1.5
85.02827	34.6
86.09620	8.1
87.04395	24.3
90.09146	1.1
91.05405	39.2
93.06964	1.6
93.73065	1.2
95.04885	2.5
95.08527	2.3
97.02820	28.1
99.39786	1.2
102.05512	2.2
105.06971	20.4
107.08534	80.0
108.08896	1.1
109.06461	11.9
109.10104	95.4
110.07083	5.9
115.03175	1.7
115.03878	24.3
120.07989	1.5
125.09595	5.5
129.10187	6.0
131.08507	1.6
133.04927	26.0
137.05891	1.3
150.07593	3.0
153.26495	1.2
179.05498	2.5
182.10556	1.5
184.07239	1.3
187.90823	1.2
188.07060	1.9
287.14886	2.3
455.11288	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	454.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00236	1.2
53.03879	2.1
55.01803	2.0
55.05452	4.2
56.04969	2.5
57.03367	10.9
57.06977	0.5
59.04925	3.2
60.04446	2.6
61.02857	1.0
65.03852	1.1
67.05422	29.6
69.03347	35.8
69.06975	1.9
70.06505	16.1
71.04902	4.9
71.68690	0.4
72.08063	7.4
73.02842	1.1
73.08403	0.4
73.16101	0.5
74.05978	1.2
75.04384	2.1
79.05404	34.8
79.22526	0.5
81.03329	3.1
81.06970	100.0
82.07336	0.7
84.04423	6.2
84.08061	11.4
85.02819	30.6
86.09619	7.2
87.03866	1.0
87.04389	22.9
88.03897	1.0
91.05403	16.1
93.06967	3.2
95.04912	3.7
95.05964	0.7
95.08520	2.4
97.02814	27.3
97.10116	0.6
98.05983	0.5
98.97507	0.8
101.02327	0.7
102.05457	1.2
103.03889	0.8
105.06966	10.6
106.07345	0.5
107.08528	36.5
108.08851	1.0
109.06456	7.7
109.10098	34.3
110.07110	6.4
115.03873	25.3
119.06032	2.2
119.08558	1.0
120.08074	1.9
121.10097	1.0
123.04351	3.2
123.07960	0.6
125.09592	7.8
127.03874	3.2
127.11126	3.2
129.10217	5.7
130.05042	0.5
130.87541	0.5
133.04930	22.7
133.10085	2.8
134.10492	0.5
136.07538	2.2
136.08536	0.5
137.06001	0.9
139.03889	1.0
145.04929	4.7
145.10051	0.8
147.04333	0.6
149.04410	1.0
149.05937	0.5
150.07626	2.2
151.03859	3.3
151.11157	3.2
163.05951	0.7
179.06960	0.7
201.73878	0.5
207.06468	1.1
213.07507	2.0
214.99721	0.6
215.76105	0.5
219.17439	0.9
237.18446	2.7
238.18745	1.1
252.04593	0.5
259.08032	2.1
295.10300	1.1
302.32846	0.6
334.20520	0.5
388.80139	0.5
413.46600	0.6
454.20157	0.7
455.14923	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	454.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00230	0.9
55.05453	35.3
57.03141	1.0
57.03380	19.3
57.07015	15.9
59.18554	0.8
67.05123	1.4
67.05432	23.3
67.42458	0.9
69.06989	47.3
71.08536	6.9
73.61604	0.9
74.04381	1.0
79.05414	11.7
81.06976	30.3
83.04908	1.3
83.08539	32.1
85.06471	1.5
85.10113	4.7
93.06983	17.3
95.07958	1.5
95.08534	26.3
97.06451	4.8
97.10098	18.6
98.98399	43.5
104.30312	1.0
107.08531	11.3
109.10098	12.3
111.08036	2.2
111.11660	4.0
116.99423	1.4
121.10109	13.7
123.11646	2.1
135.11653	9.9
149.13257	4.2
155.00998	21.1
167.14450	1.3
173.02092	2.0
247.24246	1.8
265.25281	9.3
313.27237	6.4
339.28891	100.0
340.29095	2.5
419.25549	2.2
443.63974	1.1
470.07678	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	43.4
56.67916	1.3
57.03363	20.3
57.07009	21.7
57.52097	1.3
64.07880	1.4
67.05418	29.8
69.06985	64.6
69.96520	1.2
71.08548	7.4
79.05390	14.5
81.06970	33.2
83.08532	37.7
85.10099	2.0
90.25395	1.4
93.06963	24.4
95.08532	35.7
97.06449	3.7
97.10094	22.6
98.98392	100.0
105.06969	1.4
107.08516	12.8
109.10097	18.0
111.07984	2.4
111.11626	7.6
116.99385	1.6
121.10104	21.8
123.11674	2.9
125.09531	2.2
135.11649	17.6
149.13240	3.2
155.01004	53.5
173.02086	2.6
189.86450	1.6
247.24135	3.0
265.25153	25.3
266.25604	1.7
269.31802	1.6
339.24750	3.6
339.28860	99.5
340.29245	2.1
371.31805	1.6
419.25363	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	454.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00256	0.6
55.05453	7.6
57.03377	21.6
57.07011	55.0
57.48134	0.6
59.00242	0.5
63.69434	0.5
63.81696	0.5
65.05861	0.6
67.05424	10.6
69.06990	8.8
71.08546	33.5
75.04373	0.8
79.05419	1.1
81.06514	0.7
81.06970	13.7
83.08526	8.5
85.10103	13.8
89.05947	4.2
91.05350	0.8
92.10276	0.9
95.08531	19.3
96.66414	0.6
97.10075	6.0
98.98395	2.8
103.07504	3.0
107.08507	0.6
109.10114	9.2
123.11649	3.3
135.37808	0.7
137.13217	1.2
155.00949	0.8
203.10335	0.6
239.23866	0.8
246.22794	0.7
257.24670	2.9
282.27777	4.2
313.27304	100.0
314.27670	3.7
339.27985	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05189	1.5
55.05450	39.3
56.96492	1.4
57.06996	1.7
57.35839	1.3
61.89234	1.0
67.05418	4.7
69.06978	2.1
70.06512	12.1
71.04899	2.3
75.93840	1.3
78.55383	1.2
79.05395	1.5
81.06968	2.4
81.73153	1.0
82.06483	8.3
83.04903	6.4
83.08533	33.2
84.04403	2.5
84.08053	8.1
85.06467	1.9
86.09618	6.1
91.05407	2.1
93.06950	1.7
95.08513	2.4
97.06490	1.3
98.09619	2.0
100.07543	15.9
100.11186	100.0
101.11558	1.5
105.06941	1.5
110.05992	4.5
110.07117	2.4
111.04382	21.3
112.07523	4.8
114.09119	1.3
116.98572	1.9
118.12243	4.7
119.08565	1.3
120.08057	4.7
126.09138	2.9
128.02121	1.3
128.07022	16.3
129.05417	2.1
129.10179	1.2
134.99629	1.5
136.57637	1.1
139.08632	2.2
140.07034	7.4
147.11652	1.7
160.12375	1.3
165.09113	1.9
177.05389	1.5
178.16512	1.2
182.13736	2.1
182.15361	61.1
183.15785	4.8
200.16327	1.8
200.20135	1.3
209.16391	17.6
210.14864	57.4
211.15079	1.5
226.19096	2.3
227.17471	5.8
228.15910	8.0
327.26224	2.1
337.21078	5.0
369.74008	1.2
436.31772	11.1
453.84464	2.5
454.32629	93.0
455.33243	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	454.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81461	0.9
55.05450	17.5
57.03371	6.9
57.06734	2.0
57.07013	54.4
64.87910	1.0
67.05430	14.1
69.06983	23.0
71.08546	31.4
73.06462	4.6
79.05396	5.7
81.06976	15.6
83.08538	17.1
85.10110	16.7
87.04388	2.3
89.05950	100.0
93.06967	7.7
95.08527	13.8
97.06493	1.6
97.10086	9.3
98.98396	40.2
99.11662	1.6
107.06998	4.8
107.08545	5.9
109.10109	6.1
111.08038	1.6
111.11700	1.3
116.99466	1.8
117.09025	1.2
121.10107	7.2
133.08560	31.9
135.11644	4.1
149.13303	1.3
155.01019	26.1
155.17931	2.3
177.11162	8.6
243.23135	2.6
265.25146	10.9
283.17477	20.8
287.25766	1.5
311.04794	1.2
339.28864	28.2
340.28946	4.0
419.25272	2.4
437.34631	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	455.1311
Annotation	Didymocalyxin A
Peak:m/z	Relative Intensity
55.01813	1.2
55.05442	2.4
56.04962	2.5
60.04443	2.1
70.06506	31.0
71.06817	1.8
72.08065	9.0
74.05974	1.8
83.40639	1.2
84.04435	12.5
84.08065	27.8
85.02833	2.0
85.08416	1.3
86.09623	10.0
88.03931	2.2
95.05959	1.5
95.93913	1.3
99.02601	12.4
102.05489	7.2
103.05404	1.5
107.04919	2.9
110.07116	14.0
114.37563	1.3
119.04908	2.7
120.08063	10.3
123.04382	1.5
129.10205	12.2
130.59259	1.6
131.04843	1.7
136.06091	2.1
136.07573	2.6
139.03867	3.5
149.05963	1.5
171.04781	2.6
256.19476	1.4
290.75281	1.5
297.09164	1.6
311.48569	1.5
323.12732	5.6
338.02271	1.3
366.88464	1.4
404.14648	1.5
455.13031	100.0
455.20853	7.0
456.13220	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	455.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	3.9
56.04971	6.9
60.04448	4.2
60.05605	1.7
68.93708	1.5
69.03320	2.9
69.06994	8.6
70.06144	2.4
70.06509	61.4
71.04890	3.3
71.06831	2.5
72.08061	19.7
74.05989	3.9
74.92646	1.7
79.05415	2.1
81.06961	1.7
83.06037	2.6
84.04428	12.5
84.08069	31.5
84.89404	1.5
85.02811	3.6
86.09629	26.3
88.03945	2.3
91.05401	4.0
92.10339	2.0
93.04472	1.6
93.06950	1.7
97.02779	2.1
98.97511	2.4
102.05496	2.3
105.06989	2.4
110.07121	29.2
113.25340	2.0
116.98602	2.1
120.08063	12.9
123.05517	1.8
129.10202	12.2
136.07552	10.8
139.53789	1.8
146.99504	2.4
187.41733	1.6
197.13065	2.0
202.48730	1.9
239.16457	1.8
423.76495	1.8
455.13013	100.0
455.18756	3.7
455.22729	6.7
456.13165	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	455.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79048	1.8
55.05455	21.6
56.96489	5.2
57.03374	15.4
64.33273	1.9
65.03838	3.0
67.05425	76.0
69.06992	18.4
79.05404	44.9
81.06965	52.2
82.79762	2.3
83.08533	5.4
91.05410	19.2
92.10236	3.9
93.06970	35.8
95.04871	3.7
95.08525	43.2
95.82851	2.0
105.06973	12.6
107.08532	16.5
109.10080	15.6
119.08537	12.1
120.96572	41.4
121.10064	16.3
131.08517	5.0
133.10071	8.9
135.11652	2.9
145.10069	3.8
146.99661	2.2
151.47940	1.9
155.29933	2.4
173.13219	2.9
174.98479	10.9
181.08563	2.2
195.00264	9.5
212.99980	8.7
252.40294	2.3
259.12021	8.9
282.27988	2.6
335.25735	50.1
351.18265	3.2
357.23825	17.9
369.19467	9.1
385.64392	2.2
437.20596	3.6
455.21640	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05434	0.8
56.04976	0.8
59.85584	0.6
60.04459	1.1
61.43918	0.8
62.06017	100.0
69.03349	2.0
70.06503	8.8
71.04874	0.9
72.08054	1.7
84.04411	3.5
84.08063	7.7
85.02834	1.8
86.09611	1.7
92.10921	1.1
97.02785	1.3
110.07104	4.3
110.36893	0.8
120.08053	1.1
121.91738	0.8
129.10175	1.7
136.96931	0.8
175.07379	1.0
216.11548	1.0
222.09698	0.9
225.71674	0.8
245.14700	0.9
357.49835	0.8
455.21576	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93456	2.7
51.20348	2.6
54.81651	3.1
55.05429	6.1
56.67743	2.9
57.07003	4.0
66.11360	3.2
67.05417	14.9
69.06979	24.0
79.05405	5.8
80.72077	3.1
80.83070	4.1
81.06970	100.0
89.05929	6.2
91.05363	4.7
93.06959	23.1
95.04876	3.3
95.08523	36.6
98.68485	3.9
105.06951	15.1
107.08535	21.5
109.10078	16.0
119.08533	7.5
121.10070	19.2
123.11676	4.1
133.10172	4.5
144.60822	3.3
147.11646	3.8
149.05937	22.7
151.07506	3.7
163.14825	4.4
179.07008	22.9
195.06522	8.1
256.22598	3.7
455.33331	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63250	1.5
54.72057	1.4
54.72323	1.4
55.05431	3.0
55.97565	1.4
56.59466	1.6
57.06996	2.8
67.05408	7.2
69.06985	14.9
69.62413	1.7
79.05400	7.8
79.29642	1.8
81.06504	2.6
81.06964	49.8
91.05415	4.0
92.94703	1.8
93.06960	15.6
95.08514	22.3
105.06959	10.6
105.57687	1.6
107.08553	11.9
109.10085	7.5
119.08541	4.0
121.10103	7.9
125.97993	1.8
133.10081	2.0
149.05995	6.4
163.14754	1.7
173.13148	1.7
179.06999	6.3
186.20152	1.6
195.06480	3.6
205.12340	1.8
211.35483	1.7
250.02455	1.7
283.26324	1.9
337.36392	1.7
455.33334	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3514
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
51.96762	1.9
52.65364	1.9
55.05455	19.0
57.07008	4.9
63.58702	1.7
67.05433	29.1
69.06985	37.0
73.07874	1.8
75.42731	1.9
79.05412	19.7
81.06969	55.6
83.08554	16.2
89.05961	3.2
91.05395	17.5
93.06966	52.6
93.91381	2.1
95.08526	93.1
97.10104	3.4
105.06961	52.8
107.08533	84.7
109.06406	2.9
109.10094	70.5
114.37264	2.1
117.06937	3.2
118.66601	2.1
119.07667	3.2
119.08524	90.8
121.10095	67.4
123.11673	20.5
125.09581	2.2
131.08527	17.9
132.32433	2.4
133.10092	81.4
135.08040	10.8
135.11644	43.2
137.13210	3.1
143.08536	3.9
145.10085	37.8
147.11649	54.4
149.09576	3.1
149.13239	16.7
151.14888	2.2
153.09131	2.9
157.10133	8.8
159.11647	44.7
161.09569	2.7
161.13217	40.8
163.11147	26.0
163.14789	37.5
165.12772	2.2
171.11613	4.3
173.13222	37.9
175.02905	2.2
175.14760	44.6
177.12779	4.4
177.16367	31.1
185.13187	3.9
187.14777	61.3
189.16333	43.4
191.17957	8.9
192.36319	2.8
199.14813	3.4
201.16359	23.4
203.17915	91.0
203.25180	2.4
205.15805	44.4
207.17279	2.7
213.16327	10.3
215.17905	16.5
219.17479	4.2
227.17915	3.0
229.19460	100.0
236.33154	2.3
239.17859	3.6
241.19333	4.4
243.21042	4.1
253.19585	2.4
265.19211	2.5
267.21060	2.7
275.20001	30.2
283.24191	2.8
339.21997	4.6
391.33539	8.2
409.34619	77.2
437.34055	25.4
455.35117	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70497	1.6
55.05452	17.7
57.06998	8.7
63.90759	1.4
65.40293	1.4
67.05418	20.1
69.06984	31.2
71.08546	2.3
76.56458	1.5
79.05412	18.0
81.06969	40.9
83.08534	16.4
91.05386	18.1
93.06960	43.4
95.08529	86.3
97.10072	7.8
103.05389	2.1
105.06966	40.2
107.08527	82.7
108.53179	1.6
109.10102	45.4
111.08004	1.8
111.94881	1.6
117.06995	2.3
119.08530	61.6
121.10091	63.7
123.07956	1.9
123.11650	9.4
124.93753	2.8
131.08534	12.9
133.10092	57.3
135.08040	3.1
135.11642	32.9
137.09662	1.8
137.13228	4.0
143.08508	2.8
145.10078	26.1
147.11667	39.0
149.13229	32.7
157.10092	7.4
159.11656	18.5
161.13185	20.5
163.11156	17.2
163.14769	30.0
166.10101	1.7
167.10620	1.6
168.40547	1.9
168.42107	1.6
171.11627	2.3
173.13174	10.3
175.14780	35.4
177.12636	2.0
177.16321	53.4
185.13121	2.8
187.14772	22.4
189.16327	46.4
191.17896	11.6
199.14844	3.0
201.16335	14.1
203.17912	100.0
204.18195	2.5
205.15831	55.9
207.17363	4.1
213.16354	10.1
215.17877	17.8
217.19363	2.1
219.17470	4.1
227.17780	2.0
229.19376	3.5
231.17448	3.8
235.16949	2.3
241.19478	1.9
249.18390	10.0
313.27325	1.9
347.55069	1.7
391.33716	6.1
400.67181	1.6
409.34546	100.0
410.34866	6.7
420.75534	1.7
437.34155	12.7
455.21362	7.2
455.35104	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	455.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70819	1.6
54.98331	1.7
55.05449	13.8
56.96503	2.0
57.07000	4.4
59.22167	1.8
67.05418	17.9
69.06981	25.1
74.15733	2.4
79.05381	19.4
81.06971	36.5
83.04956	2.3
83.08533	14.6
91.05389	14.7
93.06972	36.5
95.08530	73.3
97.10078	3.1
105.06962	38.5
107.07870	3.7
107.08536	64.9
109.10103	42.0
117.06928	2.7
119.08526	53.9
121.10097	63.7
123.11646	15.3
124.93748	12.5
131.08563	9.8
133.10089	53.6
134.99638	3.1
135.11649	31.2
137.13246	2.3
142.94827	5.2
143.08565	2.7
145.10129	30.5
147.11676	35.3
149.13216	26.8
153.09125	2.8
157.10117	3.2
159.11627	20.2
161.13219	22.8
163.11192	14.0
163.14738	24.4
173.13248	10.4
175.14775	31.7
177.16339	42.8
185.13185	2.1
187.14749	22.7
189.16335	41.6
191.17929	9.8
199.14885	2.5
201.16341	18.9
203.14047	2.3
203.17920	100.0
205.12224	2.0
205.15836	48.6
207.17331	3.1
213.16382	4.4
215.18001	10.9
219.17464	2.5
231.17436	2.9
249.18477	9.3
255.20984	2.8
261.18274	2.3
292.98654	3.0
307.52466	2.0
314.27881	2.2
383.17834	2.3
391.33426	3.6
409.34570	79.9
437.20273	3.9
437.33835	10.1
455.21329	11.4
455.35321	2.5
456.21207	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52741	3.2
54.81698	3.7
55.05445	29.2
57.03370	8.4
57.07010	8.2
57.34586	3.9
57.62902	4.0
58.38360	4.3
62.73288	3.5
67.05442	32.2
68.28700	3.6
69.06973	43.5
70.09755	4.3
72.00462	3.9
79.05405	17.2
81.06976	67.7
81.07404	7.6
83.04868	5.3
83.08547	27.4
89.05933	6.1
91.05394	25.7
92.64458	4.3
93.06973	50.9
95.04891	5.9
95.08530	100.0
97.10110	7.8
98.98412	39.9
105.06973	54.5
107.08546	58.6
109.10096	52.6
117.06926	6.8
119.08551	58.1
121.06500	5.5
121.10085	50.9
123.11676	18.0
124.36395	4.3
131.08533	32.4
133.10088	48.0
135.11665	47.0
136.60007	4.7
143.08548	6.3
145.10089	54.0
147.11639	29.0
149.13263	19.5
155.01028	25.9
157.10118	4.8
159.11681	38.4
161.13211	25.5
163.14781	17.1
165.09056	6.1
173.13235	10.6
175.14735	25.2
185.13232	5.4
187.14764	28.2
189.16371	41.4
191.17906	62.3
201.16342	27.5
203.17970	25.6
205.15800	9.7
205.19510	7.1
219.17432	42.7
340.29117	24.6
373.85226	5.3
383.60364	4.1
409.33954	6.4
455.35040	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	456.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00229	0.1
53.03886	0.5
55.01813	0.1
55.05448	22.3
55.21198	0.1
56.04971	0.2
56.05782	8.4
57.03361	0.3
57.06106	0.9
57.07001	0.9
58.06516	0.6
58.07334	0.1
67.05422	1.2
68.05745	0.3
69.03340	1.4
69.06971	0.8
70.06508	3.9
70.07317	0.5
71.06840	0.3
72.08051	0.7
79.05399	0.2
81.06963	0.9
81.22352	0.1
82.06498	4.9
82.07291	0.6
83.04896	2.1
83.06831	2.0
83.08536	18.7
84.04456	0.3
84.05225	1.3
84.08093	2.5
84.08866	9.5
85.02825	0.9
85.06458	1.1
85.08392	0.5
85.09197	1.3
86.06775	0.3
86.09621	1.4
87.04396	0.3
94.06525	0.3
96.08039	0.3
97.02824	0.9
97.06477	0.3
98.09616	2.6
99.09949	0.9
100.07545	6.0
100.11182	100.0
101.07285	0.3
101.07880	2.8
101.10915	2.5
101.11513	49.2
102.08196	0.3
102.11211	0.9
102.11838	6.8
110.05981	2.9
110.07117	0.8
111.04380	8.4
111.06308	1.4
112.04713	4.5
112.07545	3.0
112.11171	1.1
113.04826	1.4
113.07214	0.1
113.07900	1.4
113.11533	0.3
115.03860	0.3
117.13822	2.0
118.14195	0.7
119.05005	0.1
120.08035	0.5
120.60319	0.2
124.07527	0.1
126.09099	2.2
127.08634	2.3
127.09484	1.1
128.06073	0.2
128.07025	5.5
128.08972	1.1
129.05438	0.6
129.07375	2.8
129.09299	0.2
129.10210	0.7
130.05704	0.2
130.06590	0.2
130.07507	1.0
133.04990	0.2
136.07555	0.2
139.08640	4.0
140.07040	1.8
140.08981	2.7
141.07425	1.4
141.09099	0.6
142.07617	0.6
143.07243	0.3
144.08064	3.0
147.11681	0.3
147.55251	0.1
148.12044	0.3
149.13208	0.2
156.08011	0.2
156.67880	0.1
158.09621	2.6
162.09093	1.1
164.14304	0.2
165.14645	0.6
166.15973	0.3
167.16243	0.3
168.08087	0.6
168.13847	0.6
169.14145	0.3
174.09039	0.3
182.15363	19.2
183.15704	21.7
184.07550	0.2
184.15997	10.1
185.16351	1.1
186.09123	1.9
192.13840	0.7
193.04967	0.2
193.14137	0.8
194.09489	0.2
194.14435	0.2
199.21742	0.2
203.88347	0.2
204.10176	2.1
208.86472	0.1
209.16452	14.0
210.14851	11.4
210.16814	18.7
211.15186	17.6
211.17090	10.1
212.15459	11.6
212.17328	1.1
213.15625	1.2
226.19099	3.9
227.17517	0.5
227.19440	5.1
228.15927	0.7
228.17842	0.6
228.19739	3.5
229.16180	1.1
229.18098	0.6
230.16364	1.1
246.14888	0.3
246.65002	0.2
276.12317	0.3
283.62582	0.2
294.13263	0.3
306.13351	0.2
308.27002	0.2
309.27261	0.6
310.27606	0.6
326.28006	0.8
327.28329	2.4
328.28510	4.3
329.28928	0.6
336.24960	0.2
337.22461	1.4
338.23157	3.4
339.23892	0.5
339.61475	0.2
345.30942	0.2
419.32706	0.6
420.32864	0.2
435.33224	0.6
436.33600	0.7
437.33792	19.1
438.34088	4.3
455.34833	98.3
456.35104	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	456.205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75401	0.9
50.99785	1.0
51.12537	0.8
53.10302	0.9
56.94324	1.1
56.96247	1.4
56.96502	26.7
57.62229	1.0
61.63410	0.9
71.64560	1.1
71.95181	1.2
76.82942	1.2
81.06953	1.5
83.08480	1.4
92.10900	2.2
98.97505	24.5
111.80512	1.1
112.19855	1.0
116.98563	34.7
127.87491	1.1
128.98534	1.7
134.99612	44.6
149.01160	1.8
153.00664	13.8
158.01221	2.7
161.04851	1.5
187.35603	1.3
199.02800	1.6
223.42651	1.3
233.41393	1.4
274.97479	2.5
292.98474	4.7
296.17773	1.2
301.11243	1.3
303.12537	1.4
305.14169	1.4
329.14130	6.5
347.15146	2.2
355.15735	2.4
365.16229	6.5
373.16809	11.5
379.17630	1.8
391.17816	27.5
404.54761	1.1
409.18924	52.1
410.19437	1.8
415.17798	12.5
433.18863	100.0
434.19107	2.0
451.19931	31.8
456.20438	6.0
480.44229	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05440	2.8
56.96490	18.3
64.21730	2.3
67.05425	3.8
78.70261	2.1
92.10263	2.8
95.08532	3.0
98.97506	11.5
106.91714	2.7
116.98557	15.2
119.08540	3.7
121.10117	3.2
123.08019	2.8
131.08464	2.5
134.99573	20.5
153.00694	5.5
201.04459	2.8
209.04900	3.3
274.97491	5.1
292.98505	3.8
303.12521	4.6
311.13141	3.7
329.14212	10.9
347.15137	5.1
355.15866	12.7
361.13086	4.4
373.17032	14.1
391.17804	31.3
409.18848	100.0
415.17657	19.9
433.18915	74.4
451.19815	24.3
456.20859	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	456.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99646	0.5
53.88826	0.5
55.01798	1.2
55.05444	3.0
56.04982	4.5
56.96493	1.3
57.03355	0.6
57.05754	0.5
60.04441	1.4
60.05561	0.5
61.01064	0.6
62.05999	0.6
67.05432	5.8
69.03355	6.0
69.06989	11.3
70.02849	0.8
70.06509	40.3
71.04896	0.6
71.06838	0.8
72.08064	14.0
74.05986	0.8
79.05395	2.6
81.06956	2.4
82.06495	0.8
83.06010	1.1
84.04420	6.7
84.08071	17.4
85.02834	4.8
85.03932	0.6
85.06451	2.9
85.08379	0.6
86.09628	43.2
87.04399	2.2
87.05508	1.0
87.09945	1.2
88.03916	2.9
91.05408	8.8
94.06473	0.6
95.04905	0.8
95.06013	0.9
96.08041	1.0
97.02802	3.0
98.05987	1.4
98.09627	1.0
101.07061	1.3
102.05453	2.9
103.05376	1.4
106.06467	2.4
107.04895	3.0
108.87993	0.5
109.10104	5.7
110.07115	10.5
110.09599	0.8
112.07564	0.6
113.07088	0.7
113.67114	0.6
115.03880	2.5
115.08646	2.6
116.07020	3.6
118.06487	9.2
119.04937	6.8
119.07277	100.0
119.45669	0.5
120.08133	8.2
122.05994	3.0
123.04374	2.6
127.11146	11.5
129.10185	8.4
130.04974	0.7
130.06483	4.9
131.04837	1.0
133.04955	2.2
133.06030	0.9
134.05981	19.3
135.04372	1.2
135.06766	14.5
136.07530	6.4
137.05946	0.8
139.03864	0.7
145.05006	0.6
145.12210	6.6
146.05965	1.2
147.04378	0.7
147.09166	0.8
150.05489	5.7
158.09653	1.0
165.05426	2.7
169.09743	0.7
174.96881	1.0
176.07062	5.3
179.08492	1.0
181.06416	0.6
182.08208	1.0
183.14908	2.3
187.10789	0.9
191.08507	0.7
199.10970	0.7
207.08179	0.9
223.07417	2.2
225.09021	3.0
235.07571	2.3
237.09041	4.5
238.08850	0.5
239.10677	0.7
240.09836	1.7
241.08484	3.3
251.06812	1.1
252.07706	1.1
252.10138	16.6
253.10762	0.6
254.11705	20.9
256.09622	8.4
269.12796	38.6
270.11142	3.5
280.09607	2.5
286.10593	0.7
298.10660	10.3
315.13336	60.9
316.13654	4.0
322.17902	1.3
325.03436	0.7
337.18973	3.4
338.17435	3.0
370.08426	0.6
382.21185	2.1
383.19455	5.2
393.17987	2.5
411.18942	1.2
417.25757	0.6
428.21747	18.1
439.18597	5.0
456.21378	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	456.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06991	4.5
60.63549	2.3
67.05431	3.7
69.06989	4.9
70.06517	6.1
79.05395	3.7
81.06953	21.3
88.07532	4.5
93.06961	4.9
95.08501	12.2
107.08515	3.7
109.10010	2.9
121.10083	2.5
122.15385	2.4
123.07907	2.8
125.05873	2.7
135.04391	3.3
136.05122	3.5
136.12030	2.6
137.05927	4.4
149.06023	3.5
150.06712	4.6
151.07538	21.9
153.05472	13.0
154.06200	23.0
163.03853	4.6
169.08556	11.6
181.04878	10.8
182.05707	13.4
196.07257	18.8
197.08052	100.0
200.20074	17.2
235.09628	5.6
283.26184	20.6
456.32132	17.7
456.43726	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	457.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81841	1.4
55.05442	3.3
56.04959	6.1
56.96509	2.2
57.03375	2.5
60.04450	1.7
61.02838	1.7
61.13246	1.2
64.23721	1.2
64.33714	1.3
67.05438	1.8
69.03333	8.1
69.06985	2.2
69.49347	1.2
70.06506	65.1
71.08549	1.7
72.08064	27.4
73.02884	1.5
74.05992	2.6
79.05413	1.3
81.06960	6.0
83.06000	2.0
84.04426	23.1
84.07597	2.2
84.08072	45.6
85.02828	12.9
86.09624	21.1
88.03868	3.0
90.89807	1.5
91.05383	3.5
93.04445	1.5
95.04888	8.9
95.05927	1.5
97.02814	6.0
98.58305	1.5
102.05481	2.1
109.06447	6.0
110.07124	14.7
112.08669	2.3
113.02061	2.9
115.08686	1.4
116.07043	3.4
116.98556	5.7
120.08050	5.8
123.04367	7.1
127.07510	7.9
129.10207	20.5
134.99632	1.7
136.06265	1.6
136.07550	3.4
137.05959	6.8
143.11804	1.9
145.08549	10.3
146.08914	1.8
146.99571	1.7
155.06941	1.6
160.35062	1.8
161.05910	1.5
161.10756	7.1
162.86232	1.5
169.07533	2.4
176.21254	1.5
178.06154	2.0
183.06514	5.4
185.04175	6.4
219.01720	1.5
237.02788	1.7
251.41313	1.5
259.07956	2.0
295.16382	2.2
330.59625	1.3
457.13062	100.0
457.21466	8.0
458.13052	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	457.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01796	0.2
55.05445	0.3
56.04958	0.1
57.03361	0.2
57.38985	0.1
57.43076	0.1
58.80056	0.1
61.02822	0.2
69.03355	0.7
70.06516	1.0
72.08071	1.4
83.64519	0.1
84.04417	0.2
84.08068	0.6
85.02809	0.8
86.09617	0.5
87.51375	0.2
91.87246	0.1
97.02819	0.3
98.06001	1.0
110.07111	0.6
113.35939	0.2
115.08637	0.7
116.98603	0.2
119.03472	0.6
127.03802	0.2
136.06161	100.0
137.04607	0.3
137.06538	0.7
145.02783	1.0
145.05002	0.2
152.06929	0.1
177.05466	1.4
177.06848	0.1
189.05516	0.2
213.36513	0.1
215.99402	0.3
234.99004	0.1
243.98900	0.2
268.10352	12.5
269.10678	0.3
276.99963	0.2
324.20648	0.2
449.13168	0.1
457.13687	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10889	1.9
55.05454	3.0
57.07004	10.3
62.25877	1.5
67.05428	4.2
68.52308	1.5
69.06997	17.8
71.08559	4.3
71.16345	2.3
79.05410	18.2
81.06982	8.6
91.05383	4.4
93.06973	2.2
95.04918	2.2
95.08529	8.2
103.05412	13.4
104.99219	42.7
105.06274	3.7
105.06980	86.0
106.07758	11.3
107.08549	3.5
109.10130	2.4
111.67900	2.1
121.06393	1.8
121.10057	2.3
124.45219	1.7
133.06462	55.1
134.07254	33.2
135.08032	82.9
137.01860	4.3
137.04158	7.7
143.08870	3.4
151.07512	22.2
165.03667	54.3
165.09062	2.5
167.05266	8.2
179.05171	13.3
277.16168	17.9
295.17215	71.9
296.17484	3.0
323.19540	9.2
325.10239	2.0
375.24982	100.0
376.25333	7.9
397.23044	8.8
404.00583	2.0
424.14740	2.2
457.23776	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	457.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81788	3.8
55.05454	6.1
56.92690	3.8
57.07005	39.3
57.09781	4.3
60.01636	3.2
60.12544	3.1
67.05424	18.8
69.06981	23.2
70.06504	7.9
71.08555	7.6
79.05395	6.5
81.06975	73.8
88.07552	23.6
93.06955	24.5
95.08524	35.7
102.00625	4.5
102.09106	9.8
105.06944	4.7
107.08533	21.0
109.10080	25.3
114.42223	4.1
121.10087	18.6
123.11631	8.7
135.11674	4.8
139.07510	6.5
147.11726	4.9
149.13266	8.3
200.20053	40.9
201.20331	5.6
205.74283	4.1
253.32440	4.8
283.26117	40.3
284.26624	10.1
289.09845	24.1
345.16110	18.5
346.21307	4.3
401.21973	7.9
411.32858	4.3
456.44025	33.1
457.29922	5.6
457.34961	100.0
457.44208	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	457.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	8.9
57.06996	8.0
58.67361	5.1
59.34616	4.8
64.00449	4.8
66.76760	5.2
67.05407	29.8
69.06992	43.0
73.59225	6.0
76.04984	6.3
79.05396	24.2
81.06966	88.4
83.08558	10.4
91.05419	12.6
93.06979	58.7
95.04883	8.3
95.08546	100.0
97.10088	5.7
105.06953	35.0
107.08545	73.4
109.06414	8.9
109.10112	49.8
111.92841	5.5
119.08524	46.8
121.10098	58.2
123.11659	24.4
123.76005	5.6
133.10086	28.3
135.11681	41.3
137.05930	14.4
139.07501	10.4
140.62975	7.1
145.10141	7.8
147.11688	34.9
149.13251	25.1
159.11682	10.7
161.13197	10.3
163.14781	35.2
165.08966	8.0
167.07033	7.5
175.14725	7.8
177.09094	8.7
177.16425	14.8
179.10973	5.5
189.16328	30.3
191.17865	27.6
203.17935	36.7
204.03580	5.7
205.12198	9.2
308.04208	6.3
411.36166	28.3
447.95157	6.3
457.34634	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	457.331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46079	1.6
55.05437	5.4
59.06056	15.3
60.05582	41.9
67.05432	17.0
67.89223	2.0
69.06987	21.0
79.05398	13.7
81.06979	63.8
83.08543	3.6
85.22598	2.0
91.05386	4.4
93.06978	25.3
95.08540	36.6
97.98631	2.2
98.50648	2.3
105.06962	12.5
107.08522	24.9
109.06493	2.6
109.10109	23.0
119.08525	18.5
121.10082	12.5
123.11669	13.0
131.08554	4.4
133.10017	3.7
135.07948	3.0
135.11671	11.7
143.08585	3.0
144.71759	2.4
145.10158	2.7
147.11607	4.9
149.13182	5.3
159.11659	8.7
165.09132	3.0
173.13231	2.5
223.13129	2.4
250.61043	2.4
283.26443	2.2
312.49036	2.4
457.34955	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38877	1.9
52.84932	1.8
53.03867	3.8
54.81434	1.8
55.05448	25.2
57.07002	23.1
59.73559	1.8
63.79751	1.9
64.92559	2.1
67.05421	38.7
69.06985	51.8
70.06509	11.6
71.08531	8.8
73.02843	1.9
79.05406	32.5
81.06969	100.0
83.08529	12.4
84.04935	2.2
88.07536	16.3
91.05383	20.8
92.10880	4.9
93.06969	49.1
95.04839	3.2
95.08530	74.5
97.06467	8.4
97.10114	2.2
99.04365	3.7
102.09096	10.2
105.06976	20.3
107.04883	9.8
107.08531	54.3
109.06445	19.2
109.10095	55.1
111.08015	2.6
111.11655	3.5
117.06955	3.4
119.08560	25.3
121.06454	63.9
121.10098	26.0
123.08065	4.7
123.11673	21.9
125.05933	14.5
127.07518	22.2
131.08524	12.3
133.06497	3.7
133.10065	17.1
135.11649	17.3
137.05946	3.3
137.09602	8.2
137.13237	4.3
139.07521	91.2
143.08540	3.1
145.10085	13.5
146.41624	2.1
147.07982	5.1
147.11655	16.7
149.05923	2.3
149.09593	5.0
149.13240	25.4
151.07491	3.2
157.10089	4.4
159.11630	12.7
161.09625	2.8
161.13268	11.0
163.07498	3.3
163.11142	3.1
163.14833	5.2
165.09093	20.1
165.12738	2.6
169.09970	3.9
171.11641	3.4
173.09758	2.4
175.07513	4.8
175.11131	5.4
177.09067	3.9
177.16333	3.8
179.10670	3.3
187.11122	3.6
187.14833	3.0
189.12659	4.7
193.12212	3.2
200.20053	31.0
201.20317	4.4
203.17873	4.3
205.12202	3.8
205.19585	2.8
211.14755	2.4
213.16519	2.7
217.19467	2.4
226.05800	2.9
239.17854	2.4
253.14311	4.9
253.80797	2.1
265.14340	3.4
283.26230	30.8
284.26498	10.0
295.24219	7.9
347.22314	2.6
439.31870	17.1
456.44131	30.3
457.34525	46.2
457.44330	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81639	0.8
56.15248	0.7
56.96239	1.2
56.96500	25.0
57.60379	0.7
71.95198	1.0
98.97509	56.7
107.08613	0.8
116.98565	80.1
131.00151	0.9
134.99617	68.0
140.00166	1.3
147.12778	0.8
153.00685	14.3
158.01170	1.2
314.92734	0.8
333.17264	1.7
339.16400	1.0
357.17175	9.5
375.18347	6.8
393.19275	4.1
417.19342	13.4
418.20090	1.0
435.20456	100.0
436.20770	1.4
453.21350	18.5
458.22034	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	458.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35706	1.2
54.39532	1.6
54.81594	1.5
55.05445	1.5
56.96501	15.8
69.06978	1.6
75.85658	1.4
77.65050	1.3
79.05390	2.3
81.06971	1.8
93.06963	3.1
98.97522	28.6
105.06973	2.9
107.08508	2.4
116.98568	44.1
119.08541	2.6
123.08019	1.6
131.08464	1.4
134.99628	48.3
153.00681	15.1
157.10199	1.5
165.09045	1.7
201.73897	1.6
231.07034	1.5
353.57465	1.5
363.18399	2.9
393.19244	3.4
417.19302	11.0
435.20453	100.0
436.20609	1.9
453.21570	13.2
458.22083	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	458.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72649	0.4
53.03877	0.8
55.05445	1.2
56.48446	0.4
67.05399	0.9
69.03334	2.6
69.06984	1.2
70.06510	4.8
72.08057	2.2
76.56361	0.5
79.05402	2.5
81.03339	0.6
81.06973	4.4
83.04904	0.9
84.04427	0.6
84.08056	3.7
85.02851	3.8
86.09631	5.9
91.05396	5.6
92.10248	0.5
93.06964	6.6
95.04862	1.2
95.08530	3.0
97.02785	1.1
97.06454	2.1
98.97524	1.1
99.04382	0.9
103.05366	0.8
105.06968	61.2
106.07314	0.7
107.08536	8.2
109.06479	3.7
110.07091	2.5
115.05388	0.5
116.98521	0.6
117.06954	3.0
118.44987	0.5
119.04871	1.2
119.08531	19.1
120.08054	1.2
121.06477	4.8
123.04443	0.8
123.08015	3.0
125.05949	0.8
127.03790	0.6
128.06165	0.6
129.06934	3.4
129.10213	1.3
130.06584	0.6
131.04840	0.5
131.08521	24.5
133.06384	1.0
133.10103	1.1
135.08005	4.3
137.05992	0.6
141.06892	0.8
142.07748	1.1
143.08511	10.2
145.06462	5.6
145.10100	13.9
147.08037	6.1
147.51663	0.6
151.07524	3.5
151.80788	0.6
155.08525	19.0
157.10097	19.1
158.10538	0.7
159.08029	10.5
159.11649	5.3
161.05995	0.6
161.09590	0.8
163.07492	15.8
164.07913	0.6
165.09100	0.8
167.06926	0.5
168.09312	2.8
169.10094	5.7
171.11577	4.2
173.09590	6.1
173.13213	7.2
181.10088	0.8
182.10886	2.7
183.08006	2.4
183.11655	29.9
184.12154	0.8
185.09593	0.9
187.07521	1.0
187.14777	3.0
189.12691	2.5
197.13217	21.6
198.13504	0.6
199.11179	0.5
199.14778	10.2
201.09099	9.2
201.12698	39.6
207.11665	2.8
215.10641	2.0
215.14258	16.1
215.16162	1.0
217.12262	2.4
225.12688	10.7
233.15303	2.2
243.13736	100.0
244.14104	3.2
261.14792	61.8
262.15057	3.5
270.49542	0.5
279.15851	24.2
280.16196	1.1
313.48563	0.6
327.59790	0.6
405.18307	0.6
458.17917	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03181	3.5
53.03878	15.0
55.01807	3.4
55.05452	40.0
57.03364	7.8
57.07011	3.9
59.72773	2.8
67.05433	100.0
69.03358	46.5
69.06985	29.1
71.04900	6.3
79.05410	85.7
81.03344	91.3
81.06975	99.2
83.04893	4.1
83.08542	7.2
85.02834	42.2
91.05415	59.0
93.06976	89.5
95.04903	22.7
95.08534	74.8
97.02821	36.0
97.10085	3.6
99.04365	12.5
105.06963	52.4
107.04951	3.8
107.08549	48.3
109.02848	25.7
109.10110	31.2
111.04405	4.8
117.06973	19.7
119.08537	34.0
121.10093	35.5
123.07955	4.5
123.11695	4.9
127.03859	17.2
129.06940	5.1
131.08513	37.0
133.10121	34.1
135.11655	21.6
137.09566	3.5
143.08546	14.6
145.10152	26.2
147.11691	19.4
149.13239	6.9
151.07448	3.4
157.06534	4.1
157.10117	3.7
159.11668	20.0
161.13260	6.6
171.11639	4.4
173.13246	8.0
179.33923	4.0
190.30215	3.4
201.12894	6.9
261.22061	7.8
303.22906	3.9
315.23148	3.4
369.24191	16.4
387.25064	14.9
405.26199	22.8
423.26859	4.8
458.23761	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	458.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	2.8
57.07016	2.3
57.51717	1.2
62.34398	1.6
64.53219	1.4
67.05436	12.8
69.06989	27.5
79.05392	4.1
81.06976	27.8
82.07245	2.0
83.08533	2.2
88.07560	1.8
91.05373	3.2
93.06971	10.1
95.08530	10.0
105.06978	15.2
106.94223	1.6
107.08508	6.7
109.10117	15.9
119.08548	16.2
121.10108	8.3
123.11623	6.5
133.10101	6.6
135.11684	2.3
137.09590	15.0
147.11684	8.5
150.08350	1.7
161.13206	2.2
164.54222	1.6
165.09085	100.0
203.10739	2.5
203.17953	8.2
205.12218	12.1
423.32156	2.8
458.34256	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	458.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05438	1.4
56.57985	0.3
57.06994	2.5
60.41486	0.3
67.05427	6.2
69.06997	2.9
71.04867	0.4
71.08511	0.3
79.05411	2.5
81.06976	5.7
83.04900	0.7
83.08540	0.5
85.06474	0.8
91.05396	1.6
93.06964	3.3
95.08535	4.6
105.06963	1.9
107.08527	5.1
109.10108	8.7
111.59319	0.4
119.08528	7.2
121.06517	0.6
121.10099	2.8
122.07217	1.9
123.11652	1.5
133.10104	1.7
135.08037	0.5
135.11652	2.0
137.08527	0.7
137.09586	19.4
137.13148	0.4
138.09883	0.5
147.11667	1.7
149.09575	0.6
149.13193	0.4
159.11636	0.5
161.13258	0.4
165.09076	100.0
165.84195	0.4
166.09451	3.0
179.10654	1.5
187.11092	0.5
189.09027	0.4
189.16321	0.7
190.09697	0.5
197.70976	0.3
203.17982	0.6
205.12202	5.4
233.15224	0.7
341.24786	0.5
423.32748	0.4
428.57001	0.4
458.35147	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2478
Annotation	His Phe Arg
Peak:m/z	Relative Intensity
50.41826	0.9
50.42239	0.8
54.81583	1.0
55.05213	1.1
55.05446	11.1
57.03368	2.1
57.07003	4.4
63.27077	0.9
67.05440	8.0
67.05730	0.8
69.06989	18.0
71.94658	0.8
79.05409	5.2
81.06969	9.4
83.08537	10.3
93.06966	4.3
95.08543	7.7
97.10097	4.8
107.08546	1.5
109.10101	4.2
120.96604	8.8
121.10088	3.8
135.11691	2.0
151.07544	2.1
171.36739	0.9
176.99161	1.3
182.84380	1.0
191.10670	4.4
191.57298	0.9
194.68665	0.9
195.00287	6.2
202.36522	1.1
233.53194	1.3
276.62268	1.0
301.14117	5.9
339.28909	17.1
379.28381	2.0
386.58588	1.0
405.49075	1.2
441.23605	4.8
459.24725	100.0
460.25189	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	459.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14542	2.3
55.05436	2.9
69.06995	4.2
72.02937	2.7
81.06966	3.7
89.88367	2.5
93.06963	4.3
93.87497	2.9
104.99216	49.5
107.08513	3.4
109.10123	3.0
120.58037	2.5
120.96579	2.9
125.79308	3.5
137.01866	4.6
142.24806	2.7
174.14828	3.0
184.43927	3.1
208.99686	2.8
219.98462	3.3
222.05914	2.8
223.60362	3.8
256.53720	3.4
325.21115	10.4
377.26541	100.0
378.26944	3.2
399.24771	4.9
459.24701	9.4
459.30688	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	15.9
57.06998	11.6
67.05433	26.3
68.56728	2.1
69.06982	60.0
70.72233	2.0
71.08524	3.3
77.55215	2.5
78.55809	2.3
79.05386	6.1
79.12730	2.3
81.06973	35.3
83.08541	13.6
91.05402	9.8
93.06969	32.1
95.08531	25.8
97.10094	2.6
105.06970	14.6
107.08553	30.1
109.10094	27.8
119.08499	18.1
121.10087	13.1
123.11697	4.7
131.08427	3.1
133.10107	5.6
135.11665	9.2
137.09589	20.1
145.10016	3.4
147.11694	5.1
149.13199	30.1
156.21169	2.9
157.10094	2.9
163.14687	4.9
165.09062	100.0
165.10381	4.7
166.09375	18.1
174.52763	2.5
190.09756	2.7
191.10703	3.6
205.12198	19.6
206.12540	4.2
315.23141	34.0
333.24326	3.3
338.63831	3.0
458.35568	4.6
459.30444	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	459.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12090	5.1
51.36509	3.9
51.66899	4.3
52.55247	4.6
55.01805	10.5
55.05447	29.4
59.35223	4.3
60.26225	4.2
65.47423	4.6
67.05428	67.7
69.06968	31.9
71.04913	6.1
79.05413	64.3
81.06985	63.3
83.08540	8.7
85.06475	7.3
91.05392	43.3
92.10955	5.2
93.06960	63.9
93.20673	5.3
95.04906	9.8
95.08533	63.4
97.06450	36.4
105.06972	43.3
107.04934	8.5
107.08543	60.4
109.10105	27.0
114.25404	5.2
116.33606	5.3
117.06898	5.6
119.08500	13.0
121.10081	34.2
123.11636	7.7
131.08508	10.1
133.10062	24.5
135.11639	10.1
137.09598	7.1
138.09903	7.2
141.09288	5.6
145.10071	22.4
149.13239	5.6
159.11617	9.8
165.09085	100.0
166.09398	30.5
203.48933	6.7
295.70032	5.8
310.75668	5.2
319.26190	23.9
328.94962	5.7
339.28400	7.1
356.85873	5.7
393.29846	5.9
423.36237	7.4
428.05466	6.8
440.77890	7.6
441.37192	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14941	4.6
52.91430	4.8
53.03892	4.9
53.87811	3.8
54.46916	5.3
55.05440	36.5
57.03359	13.4
57.07002	13.2
67.05424	77.7
69.06994	45.5
71.04892	7.2
79.05405	63.9
81.06969	100.0
83.08530	27.8
83.09016	5.1
85.06498	5.5
91.05419	73.8
93.06969	74.7
95.04897	7.8
95.08526	88.5
105.06981	73.8
105.83062	5.8
107.08521	37.2
109.10091	35.6
111.08028	6.5
117.06947	27.9
119.08525	54.5
121.10094	36.9
123.08034	8.6
123.11662	7.5
131.08536	33.7
133.10107	38.0
135.11626	24.6
145.10110	51.4
147.11655	27.1
159.11687	40.3
161.13196	10.5
171.11575	7.5
172.48988	6.1
173.13208	10.6
182.50850	6.4
185.13106	9.3
186.91171	6.3
316.99020	6.7
423.36545	9.2
424.54550	6.5
441.36969	50.2
459.30231	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	459.3828
Annotation	12,13beta-epoxy-16beta-hydroxy-beta-amyrin
Peak:m/z	Relative Intensity
54.97552	4.9
55.01793	5.3
55.05430	12.8
55.36421	4.4
55.43546	5.0
60.91551	4.7
67.05425	57.5
69.06984	32.4
73.71333	5.5
76.26948	5.6
78.06506	6.2
79.05403	41.0
81.06969	67.6
83.04884	6.3
83.08539	7.7
91.05406	23.6
92.59833	4.9
93.06953	38.7
94.63624	5.9
95.08533	48.8
97.06454	24.1
105.06995	12.9
107.08521	32.8
109.06443	8.6
109.10106	26.5
119.08503	11.6
121.06485	8.9
121.10084	30.0
123.07970	10.1
133.10086	11.3
135.11583	7.0
145.10155	7.9
148.10114	5.3
332.89368	6.8
373.88751	7.1
385.96548	6.0
423.36087	9.2
441.37119	100.0
459.30637	6.0
459.38315	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	0.4
54.01633	0.3
54.81900	0.3
55.05437	1.4
56.04963	0.8
56.96492	1.6
59.04918	0.3
60.04452	0.3
61.01058	0.3
67.05419	0.3
67.45237	0.3
69.03339	0.7
69.06976	0.4
70.06508	10.7
71.06807	0.3
72.08074	6.7
73.69991	0.3
74.05975	0.5
79.05397	1.3
80.52304	0.3
81.03307	0.4
81.06970	0.7
83.05992	0.3
84.04426	2.7
84.08065	7.1
85.02809	2.0
86.09622	12.4
87.05515	0.4
87.09953	0.8
88.03913	0.5
89.05972	0.4
91.05392	1.8
93.06944	1.3
95.08504	0.4
97.02776	0.7
98.97530	0.3
99.04366	0.3
102.05467	0.7
103.05386	0.5
105.06960	0.7
107.04213	0.3
107.04903	7.8
107.08549	0.6
109.02792	0.3
110.07123	2.5
112.08606	0.5
115.08675	0.4
116.07017	1.3
116.98572	0.3
119.04852	0.4
120.08037	2.5
121.10081	0.4
125.72192	0.3
127.08698	0.5
129.10178	3.9
134.03618	0.5
134.99625	0.5
135.04382	3.2
135.07999	0.6
136.07532	0.7
137.05959	0.7
140.68263	0.4
142.08591	0.3
142.68016	0.3
146.05963	0.4
149.01242	0.4
155.78246	0.3
162.03134	4.1
163.03859	8.0
163.07535	0.4
169.13150	0.4
179.03386	2.2
179.06889	0.5
183.03262	0.6
187.10812	0.4
190.02570	15.8
190.84077	0.4
193.01196	0.4
195.06483	1.4
201.04141	0.4
201.12242	0.3
207.02820	3.5
208.03636	13.0
223.05971	100.0
224.06342	3.0
239.05788	0.7
257.06915	1.8
275.92722	0.4
281.10141	35.8
282.10437	0.7
294.22427	0.3
299.07816	2.3
311.44415	0.4
317.08878	0.4
327.10077	0.4
393.94922	0.4
461.16962	0.4
482.64920	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01794	1.7
56.97866	1.6
70.24688	1.6
74.52827	1.6
79.05401	2.2
81.06966	2.6
86.54700	1.7
91.05398	2.8
92.10929	2.2
93.06951	2.6
102.14785	2.0
105.06975	20.1
109.06438	1.7
119.08543	2.0
122.03580	9.6
128.06218	2.2
133.06451	11.7
134.99640	2.4
137.05940	100.0
143.06076	1.7
146.03604	7.1
161.05917	44.7
161.09628	3.2
184.05124	3.1
191.08560	2.8
192.09306	2.0
197.31445	1.7
199.07468	27.3
202.07733	15.9
203.08516	30.2
212.72318	2.1
215.08611	2.9
219.08020	7.8
220.08749	7.7
230.07158	2.5
231.07968	43.0
232.08652	7.5
247.07486	9.0
248.08237	20.6
258.06561	2.4
259.07483	31.7
260.08289	25.7
263.10529	13.7
265.08551	2.8
275.06952	3.4
276.07739	16.0
277.08539	3.6
291.10086	68.5
292.10660	7.8
323.12723	36.8
351.12225	6.3
436.20621	2.5
437.20850	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	460.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01799	0.3
55.05448	6.5
57.03381	0.3
57.05718	0.3
62.84130	0.3
69.03355	1.8
72.08064	100.0
73.02818	0.3
73.08389	1.3
83.55643	0.3
85.02818	3.3
97.02817	1.5
98.97533	0.3
116.07060	0.4
116.96268	0.3
118.08598	38.5
127.03852	3.0
145.04984	0.5
173.03102	0.3
185.03040	0.4
191.03847	0.3
200.04385	0.7
263.29630	0.4
281.07434	0.4
451.22699	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96502	18.3
60.04441	5.2
66.87646	1.0
69.06987	2.2
70.06501	10.4
81.06950	2.3
81.71457	1.1
83.31989	1.1
84.04449	1.3
84.07995	1.5
86.09634	1.3
93.06963	1.6
95.08510	1.5
96.22239	1.2
97.06460	1.9
98.97506	45.3
103.39925	1.0
104.62572	1.1
105.06455	1.3
116.98563	65.2
119.08533	1.5
122.29229	1.2
134.85751	1.2
134.99620	96.2
153.00690	28.7
155.45416	1.1
158.01212	2.1
159.58073	1.0
188.93333	1.2
216.09662	1.3
221.18115	1.4
242.64372	1.1
285.43265	1.3
293.74966	1.3
377.19879	6.8
401.19943	4.9
419.20950	18.8
437.22003	100.0
438.22290	5.3
455.23026	18.3
460.23697	7.9
475.45865	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23676	0.5
53.63209	0.6
54.81664	0.5
55.05446	2.9
56.04980	0.6
56.96500	1.1
64.22015	0.4
67.05415	2.4
69.03339	2.6
69.06982	1.1
70.06508	6.2
71.04906	1.4
72.08063	3.9
79.05405	3.0
81.06976	6.3
83.04897	0.8
84.04421	2.5
84.08077	4.1
85.02821	2.9
85.06490	0.8
86.09634	5.8
91.05387	6.1
93.06975	15.8
94.68066	0.5
95.04874	2.1
95.08515	4.7
96.08839	0.6
97.06470	0.8
98.97541	1.1
103.05399	7.8
105.06976	32.6
107.08539	10.2
109.06469	0.6
109.10094	0.8
110.07155	0.6
111.08012	1.0
115.05436	1.0
116.98547	0.7
117.06986	3.7
119.08540	19.3
120.08045	1.1
121.08405	0.6
121.10065	0.7
127.03896	0.7
128.06192	2.3
129.06972	6.6
129.10175	2.1
130.06670	0.6
131.04897	9.5
131.08540	20.3
133.06433	1.2
133.10103	3.0
134.99579	0.6
135.08011	2.5
137.06036	0.9
139.07553	1.2
141.06967	0.8
142.07797	4.2
143.08537	77.3
145.10107	14.4
147.08055	2.2
147.11661	1.2
151.07541	1.0
153.09038	2.0
155.08574	1.2
156.09341	0.8
157.10092	51.5
159.11661	62.2
160.11978	1.4
161.05876	0.8
161.09616	1.0
161.13333	0.7
163.07481	7.7
165.09070	4.7
167.08517	1.3
168.09290	2.6
170.10895	0.7
171.11652	4.6
173.13251	1.5
183.11650	20.4
185.09671	3.7
185.13219	79.0
186.13686	1.4
189.09091	3.9
199.11125	2.3
199.14780	14.4
201.12714	10.2
203.10629	9.7
203.14305	1.2
209.13173	5.8
217.12244	3.9
217.15881	3.8
227.14240	8.8
245.15308	100.0
246.15660	3.5
263.16357	42.1
264.16449	0.7
281.17371	5.1
461.17181	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.272
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81730	6.2
55.05434	22.1
56.05000	3.8
56.96495	10.0
62.25199	4.5
67.05407	10.9
69.03339	6.3
69.06653	5.7
69.06989	100.0
70.06497	29.7
72.08068	8.6
76.88396	3.8
78.49218	4.8
79.05409	10.5
81.06958	30.3
83.04882	7.0
83.08536	8.4
84.08058	29.0
86.00559	5.3
86.09621	24.1
86.46322	4.6
88.09790	4.6
91.05386	28.9
93.06963	61.9
95.04890	25.1
95.08525	25.9
97.06462	6.1
98.97502	8.4
103.05410	4.6
105.06337	4.2
105.06942	34.9
107.08537	45.0
109.10088	7.9
111.02643	6.5
116.98532	7.6
117.06992	9.5
119.08521	39.6
120.08067	10.2
121.10108	32.8
126.03696	7.8
129.06981	5.7
129.10197	7.7
131.04913	8.0
131.08517	18.4
132.01102	9.0
133.10091	22.4
134.99654	7.0
135.08002	5.9
135.11615	41.3
137.05942	18.4
143.08481	8.0
145.10095	25.7
147.11687	9.3
161.05975	4.8
198.05783	8.3
353.64587	5.6
388.23062	6.9
406.23865	43.8
424.25031	23.9
460.13409	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	460.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	5.0
55.01815	5.4
55.05451	34.6
57.03371	10.7
57.07006	11.4
67.05428	99.8
69.03345	17.6
69.06980	33.0
69.15786	2.7
71.04897	11.7
71.08553	4.3
73.02818	4.4
79.05405	27.9
81.03352	22.9
81.06971	100.0
83.04877	3.5
83.08534	21.2
84.08824	2.7
85.02811	14.8
91.05380	22.9
93.06975	33.5
95.04881	4.3
95.08537	82.4
97.02824	72.3
97.10088	11.1
99.04385	33.7
105.06985	13.8
107.08529	21.7
109.02834	15.7
109.06424	3.4
109.10079	30.7
117.06957	5.7
119.08523	15.7
120.08838	2.8
121.06402	3.0
121.10083	13.3
123.07986	2.7
123.11694	12.8
127.03922	26.1
131.08530	5.6
133.10107	11.9
135.11690	11.8
137.13217	3.6
145.04968	6.3
147.11662	4.6
149.13161	11.8
151.07491	3.1
157.10081	3.8
161.13216	5.6
163.14728	3.2
175.14813	3.6
180.67279	2.8
212.32307	3.0
245.22560	4.6
263.23679	27.3
267.08405	3.3
340.29150	6.0
348.87451	2.9
371.25620	12.4
389.26941	5.9
407.27850	6.9
425.28873	39.2
444.68658	3.2
459.33353	4.0
460.25003	17.8
460.33237	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	460.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53455	1.8
53.03883	11.6
55.01806	3.8
55.05455	40.5
57.03368	11.2
57.07006	13.0
60.50581	1.8
67.05431	90.3
69.03352	38.1
69.06990	41.9
70.97324	1.7
71.04913	4.4
71.08546	3.5
71.46574	1.9
77.65315	2.1
77.65752	2.0
77.66164	2.2
79.05410	34.8
81.02906	3.9
81.03343	63.3
81.06509	3.9
81.06979	100.0
83.04893	4.6
83.08540	21.6
85.02826	34.7
90.34428	1.6
91.05401	26.7
93.06982	35.9
95.04897	11.2
95.07956	3.5
95.08537	64.9
97.02831	31.3
97.06476	4.4
97.10097	12.7
99.04391	9.3
99.08002	2.8
105.06986	18.4
107.04921	3.2
107.08547	22.8
108.04424	3.8
109.02857	22.3
109.06504	2.2
109.10106	29.4
111.07998	2.0
117.06976	11.9
119.08569	20.6
121.06458	3.5
121.10076	16.7
123.08054	3.4
123.11663	14.3
125.09602	2.0
127.03894	16.3
129.06938	2.7
131.08513	11.5
133.10149	14.7
133.10989	2.0
135.11687	3.3
137.13158	2.4
145.04962	3.2
145.10062	3.6
147.11682	8.0
149.13261	5.0
151.07549	7.9
151.11176	2.0
159.11664	2.5
161.13254	9.2
163.14857	2.7
165.55809	1.9
168.79205	2.2
171.11664	3.4
175.14807	4.4
196.17612	2.3
221.34102	1.9
263.23633	9.7
303.23160	3.3
305.24866	3.0
329.24634	3.4
340.29251	3.9
342.42642	2.0
353.24661	4.3
371.25900	14.8
389.26596	11.4
407.27887	13.6
459.25098	3.5
459.32303	2.4
460.25067	34.4
460.31592	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01815	18.1
55.05442	27.0
56.30447	10.5
57.03358	10.9
57.06999	22.4
67.05432	92.8
69.03342	43.6
69.06982	48.3
69.51463	11.0
78.67542	9.6
79.05414	18.3
81.03336	52.1
81.06968	100.0
83.08513	12.9
91.05402	43.0
92.10908	24.0
93.06957	53.4
95.08526	73.1
97.02806	50.0
97.10077	13.4
99.04382	72.1
107.08530	16.2
109.02829	27.5
109.10111	22.5
119.08512	16.8
121.10003	12.8
127.03860	68.8
133.10124	11.5
136.65067	12.7
136.79767	10.3
144.75098	20.2
146.49728	10.2
151.07527	14.1
165.09052	26.8
263.23608	15.9
425.28790	16.9
460.29422	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33570	1.3
53.00246	4.1
55.05442	31.1
57.07006	8.4
65.03842	2.0
67.05080	2.1
67.05428	60.7
69.06984	86.3
77.33149	1.4
79.05403	27.4
80.05746	2.0
81.06972	100.0
83.08533	17.0
91.05402	27.4
93.06964	68.1
95.04896	8.1
95.08527	76.8
97.06445	2.4
97.10081	3.9
102.65546	1.6
105.06974	72.4
106.07303	2.8
107.08530	64.5
109.06461	2.3
109.10099	76.1
111.07994	2.0
117.06930	8.0
119.08531	57.7
120.04124	2.1
121.10093	39.5
123.08044	3.8
123.11635	19.6
131.08534	18.0
133.10095	29.1
134.10466	1.8
135.11674	28.3
136.06125	1.9
137.13220	3.1
143.08562	7.2
145.10092	20.4
146.10451	2.2
147.11662	29.5
149.13208	16.7
157.10091	7.7
159.11673	23.2
161.13214	17.1
163.14745	3.9
171.11632	4.2
173.13225	15.5
175.14792	9.1
177.16389	1.9
179.14336	2.8
183.11604	1.9
185.13251	3.5
187.14871	3.3
189.16325	9.9
191.17926	3.2
201.16348	3.8
203.17917	9.2
213.16219	3.3
215.17940	2.0
217.19455	3.0
227.17812	2.6
231.21083	1.9
287.23810	1.9
338.18817	1.8
394.71533	1.9
425.37845	3.0
442.37949	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	460.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82078	5.5
55.05442	28.8
60.30760	4.4
60.65313	4.6
67.05424	25.5
69.06986	48.0
69.57488	4.1
79.05392	21.8
81.06967	100.0
91.05418	8.3
91.44653	4.4
93.06979	42.3
95.08517	64.6
105.06966	29.7
107.08546	45.1
109.10085	35.8
119.08528	33.6
121.10095	29.8
131.08623	6.1
133.10097	10.8
135.11690	10.6
147.11697	8.1
159.11742	7.3
161.13199	8.2
177.16263	6.2
266.33856	5.3
421.03366	5.6
422.42902	5.8
460.30905	6.2
461.33817	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	461.1053
Annotation	Tenuecyclamide B
Peak:m/z	Relative Intensity
50.10388	1.7
54.12171	2.4
54.42072	2.1
55.05462	2.5
56.04975	2.9
64.23331	2.0
69.03331	3.0
70.06492	4.5
72.08068	37.8
74.05975	14.8
84.04413	3.0
86.06004	3.5
86.09612	10.6
94.56628	1.9
94.83612	2.3
95.91584	2.2
98.97501	3.8
113.83633	2.4
113.95024	2.5
120.97929	2.3
134.99628	2.4
139.30370	2.4
173.12878	3.8
213.87460	2.1
314.73907	2.3
461.10480	100.0
485.48593	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	461.1441
Annotation	Isoembigenin
Peak:m/z	Relative Intensity
52.37054	0.5
55.05445	3.2
56.04961	2.6
56.96512	0.9
57.03369	1.4
60.04454	0.5
69.03336	3.3
69.06976	2.4
70.06511	17.9
72.08066	7.2
74.05962	0.6
79.05409	2.1
81.03311	0.7
81.06981	0.9
82.06468	0.9
83.08531	0.9
84.04414	5.7
84.08067	12.5
85.02826	1.3
86.09628	12.2
87.09962	0.6
91.05402	1.2
93.06989	0.7
95.04890	2.7
96.08080	0.5
97.02830	1.3
100.07527	0.7
100.11185	6.1
102.05464	0.8
103.05418	2.2
107.04899	100.0
107.08537	1.2
107.83631	0.6
108.05183	1.2
109.10126	0.6
110.07104	3.2
111.04369	0.9
112.95494	0.6
115.08694	0.6
120.08052	5.9
121.10099	1.0
128.07034	0.7
129.10181	5.7
130.06488	0.7
130.08574	0.6
131.04916	1.1
132.08055	0.9
134.03549	0.6
135.04388	0.9
136.07507	2.1
137.05966	0.7
159.09166	0.8
162.03069	1.1
163.03838	2.6
179.03246	0.6
182.15370	2.5
190.02600	4.2
191.02911	0.9
193.04944	0.7
205.04916	11.6
206.05702	4.5
207.02892	0.9
208.03569	3.3
209.04034	0.7
209.16490	1.2
210.14940	1.0
211.06358	0.6
217.04962	3.9
219.06436	0.7
223.05988	24.0
224.06252	8.7
228.73947	0.6
231.06398	0.7
235.05969	15.5
245.08069	2.5
247.06111	0.7
257.06931	1.0
259.05984	3.6
261.03903	1.3
273.07526	0.9
275.63635	0.7
281.10190	9.0
282.10483	3.0
289.07004	0.8
299.08099	1.0
301.06882	0.9
311.08987	6.9
319.07986	1.0
323.09088	1.4
341.10080	11.6
343.30463	1.0
365.10107	4.1
395.11230	3.1
398.32645	0.8
407.11179	0.8
425.12341	4.8
443.13196	8.8
461.14255	18.2
461.30789	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	461.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42973	0.3
55.05442	0.5
56.04965	0.4
57.03368	0.5
59.04903	0.4
67.17923	0.4
69.03340	2.1
69.06966	0.4
70.06499	2.4
70.59531	0.4
70.61742	0.3
72.08077	5.1
74.05976	0.6
78.98092	0.3
82.06564	0.4
83.04911	0.6
84.04413	3.3
84.08060	2.1
85.02824	2.7
85.08362	0.4
86.09626	7.6
87.04376	0.5
97.02817	1.9
98.97520	0.4
99.04415	0.3
101.05921	0.7
102.05473	0.7
110.07102	0.8
112.03680	5.2
116.07038	0.5
116.98599	0.4
119.01812	0.8
123.04368	1.6
124.59737	0.4
127.03834	0.5
129.10211	0.9
130.04971	1.6
145.04898	0.4
147.07608	1.4
149.06432	2.2
153.05209	3.6
165.05420	0.5
183.11310	0.4
183.77690	0.4
202.09163	0.9
220.10291	2.5
224.08900	4.6
230.08572	0.5
237.02878	0.4
242.09940	100.0
243.10289	0.8
260.09775	1.6
402.12244	0.6
461.19626	0.6
473.85995	0.4
476.07855	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05448	4.6
55.88866	0.6
56.04969	4.2
56.96496	1.1
57.03376	1.0
58.06543	1.3
60.04453	0.7
69.03358	3.4
69.06989	5.9
70.06497	3.5
72.07659	1.5
72.08068	45.3
74.05988	32.8
76.55682	0.8
81.03346	0.8
83.04935	0.7
84.04422	14.0
84.08063	1.6
85.02837	3.7
86.09628	100.0
87.09949	1.4
88.03918	1.0
93.06923	0.8
97.02828	1.7
98.97470	2.2
102.05463	6.0
110.07099	1.1
116.07018	1.9
116.98563	1.3
127.08627	0.8
128.10678	1.6
129.10178	1.0
130.04973	11.8
134.99599	1.0
140.07031	0.9
148.06029	21.0
152.59837	0.9
153.06464	1.0
170.04480	3.4
173.12892	1.2
180.08781	3.0
185.16457	14.9
191.22868	0.9
201.12425	3.0
213.15877	8.1
231.09705	5.2
231.16934	3.1
237.02740	1.3
249.10759	34.0
259.09055	1.1
281.05609	0.8
291.03836	1.5
311.88889	0.8
313.13718	1.0
314.14249	1.6
314.20688	2.7
330.16562	3.2
382.93384	0.8
443.24850	3.9
445.80609	0.9
461.25781	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05456	15.0
57.07010	3.0
67.05424	53.1
69.06981	13.3
70.37791	2.0
71.08524	2.5
78.48195	1.7
79.05407	13.5
81.06969	65.4
82.06506	2.6
83.08531	9.5
84.08029	2.3
86.54369	1.8
89.05924	1.9
91.05411	4.4
92.10912	2.3
93.06961	14.7
95.08525	68.7
95.88357	2.2
105.06952	3.4
107.08525	14.0
109.10122	22.3
119.08485	2.0
121.10094	9.5
123.11697	2.3
135.11649	3.9
145.10074	2.8
147.11572	2.5
149.13222	13.8
151.14815	8.8
151.37779	2.1
161.13029	2.3
172.95216	7.6
184.16917	9.3
249.52487	2.2
269.54553	2.1
277.22479	2.7
281.78192	2.0
293.22382	3.6
334.30984	54.1
443.36383	16.8
461.37256	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00240	2.3
53.03893	1.4
55.05444	19.2
56.04964	3.3
56.96495	5.6
57.03366	33.6
58.20168	1.3
59.04933	3.5
59.59624	1.2
59.80737	1.3
60.04454	6.2
61.02841	1.9
63.63045	1.4
64.07049	1.3
69.03345	100.0
69.06981	3.4
70.06138	1.9
70.06503	44.2
70.66258	1.3
71.06808	1.2
72.08054	15.4
73.02824	3.1
74.05974	2.5
75.04382	8.0
81.03366	4.7
81.06997	2.8
82.06482	1.6
83.04890	3.4
83.08527	7.5
84.04418	12.0
84.08064	28.4
85.02821	70.6
86.09626	27.8
87.04388	55.3
88.03913	2.0
88.21179	1.4
91.03892	2.0
91.05396	17.2
94.06572	1.4
95.04898	2.8
97.02816	59.9
97.03453	1.9
98.97527	1.4
99.04370	1.8
100.07540	7.7
100.11181	46.6
101.02269	1.3
101.07076	1.6
102.05441	1.6
103.05411	2.7
105.06963	7.4
107.04902	29.9
107.08542	1.9
108.05223	9.6
109.02798	1.7
110.07123	11.5
111.04414	6.7
112.07540	1.7
112.08685	1.7
115.03880	54.9
115.05463	2.0
117.07011	1.5
117.13877	1.7
119.04917	12.3
120.08041	13.5
127.03883	6.5
128.07048	5.7
129.10199	16.8
131.04863	3.0
132.07956	1.5
133.04918	56.1
133.06451	2.6
135.08017	5.9
137.05951	9.2
139.08600	2.2
141.11394	2.7
144.06541	1.9
145.04884	3.2
150.07558	6.5
151.07492	55.8
157.07698	1.7
158.71275	1.3
161.04382	1.3
161.05901	3.5
162.07529	1.8
163.07504	2.7
175.07492	3.1
181.96434	1.3
182.09322	1.6
182.15349	11.0
199.18198	1.9
209.16557	5.5
210.14886	11.2
211.15155	3.1
223.06001	3.3
224.06323	3.6
225.06400	1.7
227.17532	2.1
231.09071	2.5
257.06885	3.5
275.07886	2.0
324.58554	1.6
342.10614	1.8
343.30478	2.5
344.30499	1.7
361.89651	1.5
389.80957	1.8
453.34277	1.5
453.84103	2.3
461.85400	2.6
462.14487	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	462.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	1.6
55.01803	3.0
55.05454	13.3
55.05665	1.1
56.04963	7.0
56.96489	2.6
57.03363	7.3
59.47955	1.2
60.04456	2.8
61.02851	3.2
63.25035	1.1
63.36736	1.1
65.03880	1.2
67.05423	9.2
69.03343	25.3
69.06976	9.3
70.06136	2.9
70.06505	68.1
71.04892	5.4
71.06850	1.6
72.08068	21.1
73.61952	1.2
74.06014	1.4
79.05405	11.6
81.03315	4.9
81.06968	7.2
83.04890	7.3
84.04411	20.5
84.08060	60.6
85.02827	33.4
85.08401	2.3
86.09621	42.0
87.04359	2.7
88.03864	1.9
91.05389	16.3
93.03302	2.1
93.06968	26.4
95.04887	19.6
95.08529	6.9
97.02811	13.5
97.06469	2.7
99.04377	2.0
101.10742	1.5
102.05463	5.9
103.05407	11.3
105.06969	37.8
107.04873	2.5
107.08517	15.0
109.02810	2.8
109.06468	13.9
110.07117	5.6
111.04366	14.9
112.08660	2.1
113.05932	2.9
115.05373	5.4
115.08614	2.1
116.06202	1.6
116.98528	1.5
117.06960	7.9
117.92036	1.4
118.59819	1.3
119.04900	1.9
119.08524	42.2
119.09333	2.2
120.08051	36.3
121.02815	7.5
121.06441	15.4
121.08337	1.7
121.10094	9.9
123.04381	2.5
123.08012	9.2
127.03872	5.3
128.06146	1.8
129.06973	2.4
129.10190	37.2
130.04996	1.6
130.07733	2.1
131.04880	5.3
131.08522	30.9
133.06447	16.1
133.10062	12.7
135.08006	23.4
136.07495	2.6
137.05939	6.6
137.09579	5.4
139.03902	2.7
141.06912	1.9
141.10191	1.7
142.07742	6.1
143.08557	16.1
143.11728	2.0
144.09341	2.3
145.05000	2.0
145.06436	5.2
145.10101	21.4
147.08023	17.2
147.11673	2.3
149.05983	2.1
149.09573	24.4
151.07515	2.9
155.08423	6.1
156.09311	10.5
157.10078	11.1
158.07213	8.1
159.08040	18.9
159.11652	18.2
161.05931	8.9
161.09572	19.3
163.07509	2.0
165.09079	5.5
166.07787	2.1
167.10591	7.3
168.09253	2.4
169.09908	1.9
171.08023	3.3
171.11691	11.2
172.08810	8.1
173.09492	9.9
173.13196	10.9
175.07489	24.0
175.11157	8.1
181.10094	8.1
183.11649	8.8
185.09575	1.8
185.13361	1.7
186.10378	1.7
187.11095	17.7
189.09074	9.5
189.12726	3.0
193.08533	8.2
193.10094	2.1
196.08807	6.5
199.11128	40.0
201.12692	14.7
203.10646	9.7
207.10078	7.1
211.11172	9.8
217.12167	20.6
219.13730	2.6
229.12137	12.7
231.09323	1.4
235.13228	3.4
237.53539	1.5
240.13342	1.6
246.14870	5.4
247.13214	63.0
257.06931	5.5
265.14279	100.0
283.15417	3.2
299.08035	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	462.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01803	1.8
55.05446	6.4
56.04948	1.2
57.03352	2.0
57.07005	1.1
60.05602	1.2
61.01052	1.3
64.33411	1.2
67.05420	8.6
69.03349	15.6
69.06981	2.5
70.06509	19.1
71.04895	2.6
72.08063	12.9
79.05393	5.2
81.03329	6.3
81.06976	9.8
83.04894	7.4
83.06010	1.5
84.04420	15.6
84.08056	18.7
85.02814	10.3
85.06471	2.1
86.09620	22.7
86.16106	1.2
91.05393	7.7
93.06957	29.8
95.04887	23.1
95.08521	7.8
97.02800	3.1
97.06485	1.8
102.05455	2.7
103.05365	2.0
105.06968	24.9
107.04862	1.5
107.08546	7.1
109.02805	2.8
109.06461	22.7
109.10107	2.1
110.07102	11.4
111.04398	12.4
111.08035	3.1
115.03850	1.4
115.05409	1.3
117.06934	1.9
119.08526	18.3
120.08028	2.1
121.06467	11.7
121.10085	1.9
123.04379	2.0
123.07989	8.3
127.03881	1.4
129.06764	1.4
129.10207	12.6
130.15865	5.8
131.08548	8.8
133.06743	2.9
133.10100	13.5
135.07994	7.2
136.07565	2.0
137.05913	12.2
137.09601	1.6
139.03870	1.9
139.07565	2.0
142.07732	3.1
143.08492	9.2
145.06416	2.6
145.10088	22.0
146.07254	2.3
147.08002	2.9
147.11638	5.6
149.09622	1.6
151.07523	2.1
155.08443	3.2
157.10081	13.6
158.07234	2.2
159.08047	11.1
159.11656	11.3
161.05853	1.8
161.09601	30.4
163.07500	5.8
165.09056	2.0
171.07895	1.5
171.11662	2.1
172.08783	2.6
173.09569	7.1
173.13148	11.4
175.07512	1.6
175.11099	7.9
183.11632	6.6
185.13229	2.9
187.07520	1.4
187.11086	6.4
189.09053	12.0
193.04930	8.9
196.08844	3.1
199.11153	2.3
201.12691	13.4
203.10626	8.4
205.04639	11.1
205.12224	1.9
211.11209	10.0
213.38623	1.3
217.12097	2.4
219.13783	9.7
229.12140	10.5
247.13226	100.0
248.13524	1.7
265.14301	14.4
320.64557	1.5
322.88782	1.5
391.17188	6.0
409.18454	31.3
427.19525	1.4
451.71146	1.8
451.77142	1.7
460.71054	1.7
463.15549	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	462.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	0.9
54.81559	0.8
55.01813	1.0
55.05451	3.9
57.03381	1.2
57.32892	0.7
61.51777	0.8
65.03864	1.5
66.15211	0.7
67.05429	8.0
68.81123	0.6
69.03345	17.3
69.06973	1.6
69.77745	0.6
70.06520	4.7
71.04931	3.2
72.08067	13.2
73.02849	0.8
73.96310	0.8
79.05411	3.8
80.15409	0.7
81.03323	1.4
81.06986	5.1
83.04895	5.5
83.50397	0.8
84.04439	3.9
84.08061	3.9
85.02831	12.0
85.90138	0.6
86.09622	9.0
87.04401	0.9
87.09985	1.0
91.05403	11.2
93.03330	1.7
93.06966	13.0
94.58530	0.8
95.04895	15.5
95.08565	7.1
97.02826	5.8
97.06467	3.3
99.04377	1.3
100.73399	0.9
102.05520	1.0
105.06971	21.1
107.08533	7.1
109.02856	1.5
109.06456	10.2
109.10107	1.6
110.07174	1.0
111.04406	11.4
111.08018	3.0
113.05959	4.3
116.06178	1.3
117.06975	4.1
119.08536	26.6
120.08076	2.8
121.02824	3.1
121.06457	15.4
121.10101	4.3
123.08018	9.4
127.03822	1.1
129.06958	4.9
129.10251	0.8
130.04988	0.8
130.06544	0.8
130.07785	1.1
131.08543	14.9
133.06458	3.5
133.10078	7.4
135.08025	23.0
137.05960	1.7
137.09592	3.4
139.03934	1.2
139.07545	1.7
141.06966	1.1
142.07748	1.5
143.08546	5.8
144.09317	1.5
145.06442	4.2
145.10091	13.8
146.07243	1.4
147.08022	14.1
147.11681	5.5
149.06004	1.2
149.09630	4.2
151.07414	1.0
153.76813	0.8
155.08524	3.5
156.09357	3.6
157.10081	8.7
158.07220	5.9
158.10851	1.1
159.08041	15.0
159.11685	14.3
160.08702	1.1
161.09576	14.9
163.07559	0.9
165.05508	1.0
165.09106	9.4
168.09352	4.6
169.10046	1.2
171.08080	3.1
171.11688	5.1
172.08795	8.7
173.09598	7.3
173.13222	5.4
175.07506	21.9
175.11113	11.8
181.10074	1.2
183.11720	5.7
185.09593	1.5
186.10408	1.6
187.07635	1.0
187.11136	14.0
189.09068	6.6
189.12717	3.5
193.08508	3.0
193.10089	1.3
196.08879	3.7
199.11179	7.0
201.12679	10.0
203.10617	13.6
205.12230	1.7
211.11163	9.4
215.13927	4.0
217.12103	6.6
219.13713	3.2
229.12157	9.0
235.13222	1.9
247.13242	28.6
265.14304	100.0
266.14767	1.3
409.18384	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	462.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03898	0.8
55.01802	2.0
55.05450	4.9
57.03371	3.6
59.61487	0.7
60.04472	1.2
61.02847	1.1
65.03873	1.0
67.05428	8.3
69.03349	17.3
69.06992	3.6
70.06508	15.7
71.04913	7.9
72.08072	11.5
75.32733	0.9
79.05394	6.2
81.03342	3.4
81.06998	7.1
81.07391	0.8
83.04900	5.6
84.04433	5.0
84.08059	10.3
85.02829	18.6
85.06487	1.2
86.09628	9.3
87.04382	3.3
91.05399	10.3
91.93895	0.9
92.10307	1.1
92.64182	0.8
93.03337	1.4
93.06975	15.6
95.04891	20.6
95.08533	8.5
97.02821	10.6
97.06474	4.2
99.04387	1.9
102.05514	1.1
105.06969	26.3
107.04906	1.2
107.08543	7.4
109.02821	1.3
109.06462	13.6
109.10107	3.5
110.07119	5.9
111.04387	11.5
111.08040	2.0
113.05949	4.2
117.06971	4.3
119.04958	0.8
119.08528	27.4
120.08041	0.9
121.02843	1.3
121.06465	14.8
121.10090	5.3
122.14397	1.0
123.04400	1.8
123.05262	1.0
123.08033	10.7
125.05943	1.9
127.03870	1.4
128.06171	1.2
129.06993	4.9
129.10150	6.2
130.07742	1.6
131.08533	16.3
133.06389	1.5
133.10126	8.9
135.08025	21.5
136.07542	0.9
136.23813	0.9
137.05972	2.1
137.09586	6.7
139.03877	3.7
139.07521	1.6
141.06975	3.4
142.07745	5.4
143.08569	8.0
144.09265	1.4
145.06493	5.6
145.10097	14.9
147.08005	14.6
147.11641	5.6
149.06003	1.4
149.09593	4.1
151.07494	1.7
155.08553	1.9
156.09300	4.9
157.10101	8.8
158.07256	5.8
158.10886	1.1
158.46710	1.0
159.08032	15.5
159.11655	14.6
160.08823	1.4
161.05968	1.0
161.09584	18.2
163.07516	1.2
165.09052	10.4
168.09274	1.9
169.10121	1.2
171.07990	2.1
171.11658	5.2
172.08743	7.0
173.09567	8.6
173.13168	8.3
175.07497	20.6
175.11070	11.3
181.10132	1.4
183.11610	8.2
185.09569	1.9
187.07425	1.0
187.11140	13.0
189.09052	8.1
189.12708	4.3
193.08606	6.6
193.10162	0.9
196.05371	0.9
196.08813	4.3
199.11154	9.2
201.12723	10.9
203.10622	13.5
205.12227	1.8
207.10187	1.3
211.11119	8.5
217.12317	7.9
219.13715	4.0
229.12245	9.9
235.13234	1.5
247.13228	48.7
265.14285	100.0
266.14456	1.6
409.18491	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	463.1455
Annotation	Saccharumoside C
Peak:m/z	Relative Intensity
54.87245	0.5
55.01798	0.8
55.05444	3.1
56.04962	2.9
56.05304	0.5
56.96500	0.7
57.03371	4.1
60.04457	1.3
61.01071	0.6
62.12017	0.5
65.03887	0.6
67.01804	0.7
67.05434	2.3
68.04951	0.9
69.03347	7.3
69.06983	2.6
70.06510	65.0
71.04888	0.7
72.08070	10.8
74.05978	2.4
75.04400	0.8
79.05407	2.7
81.03354	1.2
81.06975	3.2
81.92185	0.6
83.04913	0.6
83.06007	0.7
84.04432	8.8
84.08064	16.4
85.02819	9.8
86.09624	13.7
87.04394	3.5
87.09965	0.7
88.03926	1.0
91.05394	4.0
93.06981	2.4
95.04910	5.3
95.06002	0.6
95.08514	1.0
97.02840	5.4
98.05981	1.1
99.08027	1.0
101.07055	0.9
102.05495	2.6
103.05383	0.9
105.06967	3.8
107.04871	0.8
107.08514	1.1
109.06477	0.8
110.07109	10.5
113.07038	0.7
115.03854	1.4
115.08612	1.4
116.07021	3.3
117.94569	0.6
119.08529	2.8
120.08045	6.8
121.10108	1.1
123.04375	5.4
125.07058	1.1
125.12767	0.6
127.03873	5.5
129.10204	6.9
130.06445	1.2
131.04922	0.7
133.04968	1.5
133.06413	1.0
136.07542	3.4
137.05977	0.9
145.10109	1.3
147.04337	0.8
147.08047	0.8
148.08534	0.6
151.03882	16.2
151.05011	1.2
155.08057	0.7
159.09187	0.9
161.05898	1.2
161.87498	0.6
167.07025	1.0
169.04924	100.0
170.05252	1.2
193.04919	4.4
211.05861	1.3
234.09123	0.8
235.09868	0.7
247.09822	0.7
247.13240	0.7
248.10675	4.0
260.10608	3.7
275.09161	0.9
275.11786	2.8
277.13382	1.2
283.19089	1.0
288.10107	0.8
303.11240	4.8
305.12863	1.2
321.12262	0.8
331.10361	1.3
332.09085	2.4
338.14899	0.8
349.11716	3.8
400.16391	1.2
418.17401	2.8
435.20120	2.8
446.17029	30.0
463.13553	0.9
463.19794	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	463.157
Annotation	Cryptomisrine
Peak:m/z	Relative Intensity
54.81477	1.4
55.05438	8.2
56.04968	7.7
57.03367	2.8
59.38290	1.4
60.04453	2.7
67.05415	2.8
69.03355	11.6
69.06995	2.9
70.06506	47.1
71.04897	16.7
72.08068	49.7
74.02341	2.6
74.05975	4.1
79.05402	2.3
81.03345	3.0
81.06980	3.1
83.06019	3.6
84.04422	39.1
84.08062	33.8
85.02817	22.5
85.04702	1.7
86.09627	37.9
87.05524	6.4
87.09972	1.9
88.03910	2.4
91.05394	9.8
93.04431	1.9
93.06950	9.8
95.04898	9.1
95.05984	1.7
95.08531	2.6
96.08026	2.1
97.02831	7.6
98.97508	7.3
101.07069	2.5
102.05484	11.9
102.43092	1.4
103.03853	2.1
105.06981	8.5
107.04913	1.8
107.08543	2.4
109.02805	2.0
109.06462	6.6
110.07108	54.1
111.04387	3.9
111.07427	2.2
112.08700	1.6
115.08619	2.6
116.07032	3.9
116.98606	3.1
119.08537	9.8
120.08064	6.1
121.06445	3.4
122.03583	2.5
123.04374	3.2
127.03909	2.6
129.05470	3.1
129.06525	1.7
129.10220	17.9
131.08514	3.4
133.02806	2.5
133.06076	11.1
133.10068	2.9
134.99655	2.6
136.07545	8.4
137.05957	29.9
138.06467	2.0
139.03821	1.9
145.10046	6.5
147.04324	1.7
151.03856	2.2
157.10046	1.9
159.07962	2.1
159.11630	2.9
161.09598	8.1
163.07497	1.8
165.05397	2.0
169.09633	2.5
173.09740	1.6
173.13191	2.5
176.08073	1.7
177.00690	2.5
178.02509	1.6
189.09006	3.0
191.07016	2.6
193.04924	19.9
194.05174	1.8
201.12473	3.0
205.04678	96.6
219.13960	2.4
221.08150	2.0
247.13170	19.9
265.14334	2.0
266.07498	7.6
281.10394	2.1
331.62430	1.9
410.18771	2.5
426.44452	1.8
443.16284	2.2
463.15588	100.0
464.16333	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	463.197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81943	0.4
55.05443	0.4
56.04961	0.7
60.04479	0.3
68.04956	3.8
70.06509	100.0
71.04907	0.5
71.06837	0.6
71.46124	0.3
71.52090	0.3
72.08076	2.8
74.05994	0.4
76.07546	0.5
84.04426	2.3
84.08067	5.3
85.02842	2.4
86.09640	4.0
91.05402	0.8
92.10890	0.4
93.06989	0.4
95.08544	0.5
96.08063	0.4
98.06009	0.4
102.05463	0.5
103.05442	0.5
105.06979	1.6
110.07129	2.1
114.05522	0.6
115.05441	0.7
116.07043	0.9
119.16006	0.4
120.08080	0.7
124.07540	0.4
125.07063	3.9
129.10181	2.9
130.06525	2.4
131.04904	0.4
131.07307	0.7
132.04451	0.4
133.06474	0.5
134.05983	0.9
138.06255	0.4
139.08687	0.6
141.06592	0.7
142.06535	0.5
143.07300	1.7
173.12904	0.4
186.05452	0.6
196.18694	0.4
206.09618	0.4
217.08862	0.5
218.09604	0.5
220.07434	0.6
221.08356	2.1
230.09674	1.4
231.10376	0.4
232.11284	2.0
233.08365	2.0
234.09073	2.7
235.09969	1.4
245.08458	0.6
246.09100	1.6
247.09831	3.0
248.10638	9.9
249.10303	0.4
255.74190	0.4
258.09229	1.5
260.10690	10.4
261.10358	0.6
262.12292	0.4
263.11697	1.4
264.10056	0.5
264.12543	0.9
265.13293	0.5
268.89499	0.4
274.08661	1.9
275.09280	2.5
275.11832	7.2
276.46173	0.4
277.13370	2.3
285.10217	2.3
286.08682	1.9
287.11752	0.9
288.10040	1.9
288.91293	0.4
290.07968	0.8
292.14612	0.7
293.12787	2.5
295.10873	0.7
303.11188	11.8
304.09741	1.7
305.12784	2.6
309.12375	2.0
321.12302	2.5
331.10681	0.5
332.09079	4.1
338.14902	4.8
349.11710	9.6
349.15610	0.4
365.02008	0.4
372.17249	2.0
374.18723	0.4
382.15552	0.6
393.94766	0.4
400.16425	6.1
404.15997	1.6
418.17471	7.9
435.20157	5.2
446.17023	55.3
447.17404	1.8
463.13614	0.6
463.19629	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	463.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
81.06969	5.4
84.30367	2.3
95.08521	5.4
96.87817	2.4
108.10801	3.0
111.76019	2.4
187.68835	2.9
218.84325	2.8
364.96637	2.6
422.78433	3.3
463.26416	100.0
471.59937	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	464.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00243	1.0
53.03874	0.6
54.81594	0.4
55.01810	2.4
57.03373	37.1
59.04934	7.3
60.04469	0.6
61.02847	0.9
65.03863	0.6
67.05421	0.4
69.03348	100.0
70.03678	0.4
70.06507	6.0
71.04909	0.8
72.08068	2.7
73.02824	3.2
75.04388	7.0
81.03344	3.5
83.01266	0.6
83.04881	0.7
83.33079	0.5
84.04439	1.5
84.08063	3.3
85.02824	68.1
86.03193	0.5
86.09637	4.3
87.04391	62.4
91.03917	0.5
91.05394	0.5
93.26242	0.4
97.02821	67.1
98.03187	0.8
99.04398	2.5
103.03898	0.8
109.02854	1.8
110.07131	2.4
111.04422	0.8
115.03880	57.2
116.04236	0.6
116.07064	0.6
117.83031	0.4
119.04897	0.4
120.08073	0.5
121.02815	64.1
122.03169	0.7
126.30042	0.4
127.03876	3.7
127.49469	0.4
127.84525	0.5
129.10226	2.4
130.04889	0.4
133.04929	53.8
134.05219	0.5
137.05927	0.6
145.04932	3.9
153.05440	50.1
154.05786	0.8
161.04509	0.5
163.03874	0.8
166.33189	0.4
167.50368	0.4
169.04968	1.0
211.06015	0.5
241.07025	0.9
259.08142	1.8
277.09259	0.9
282.98352	0.5
295.10361	0.7
339.10303	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	0.8
55.01810	1.1
55.05452	2.9
56.04958	3.6
57.03372	15.5
59.04939	0.8
60.04452	3.1
61.01069	0.8
61.02849	0.9
67.05436	0.9
67.32680	0.7
69.03349	6.4
70.06508	32.0
70.06892	1.1
71.04906	84.0
71.06808	1.0
72.05230	1.0
72.08068	8.8
73.02829	2.9
74.05989	1.5
75.04360	5.2
76.52642	0.9
81.03336	1.8
83.04906	10.7
83.06018	1.3
84.04417	8.7
84.08061	15.5
85.02824	100.0
86.09618	11.0
87.04385	2.8
88.03899	1.7
91.05412	1.4
91.53681	0.7
93.07005	1.4
95.04887	1.7
97.02809	5.9
98.97544	0.9
99.04384	1.5
102.05449	1.3
103.05354	0.9
104.05259	1.1
104.84700	0.8
105.06963	1.2
107.04880	1.4
109.06377	0.9
110.07095	7.6
111.04372	4.0
112.08669	1.0
117.06993	1.0
119.04874	0.8
119.08560	1.0
120.08044	10.9
121.06452	7.6
123.04352	3.4
125.07072	1.4
127.03867	3.1
129.05435	26.5
129.10187	5.6
131.04903	4.6
135.08070	2.8
136.07562	1.0
137.05943	1.3
138.06744	0.9
138.51010	0.8
145.04964	2.9
145.06416	1.3
147.04472	0.9
147.06540	9.9
159.07982	0.9
163.07518	1.4
164.09167	3.6
165.05458	3.7
167.08168	0.9
175.07536	1.5
185.09117	2.6
187.07486	3.2
196.06084	1.5
205.08522	1.6
213.08759	2.7
217.13254	0.8
231.10110	0.9
240.03075	0.8
247.09749	1.2
248.13420	1.1
255.08649	0.8
309.11844	1.1
328.56689	0.9
350.50058	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26477	0.3
50.93475	0.4
51.57874	0.4
55.05448	1.7
56.04966	3.3
56.96483	0.5
57.00191	0.4
60.04447	2.2
66.30775	0.4
69.03346	1.1
69.06969	1.0
70.02863	0.6
70.06504	100.0
71.04894	0.7
71.06838	1.1
72.08059	10.2
74.05980	3.4
79.10942	0.4
81.03301	0.4
81.04475	0.6
81.06987	0.6
83.06018	0.9
84.04423	6.0
84.08070	11.5
84.95928	0.5
85.02827	4.4
86.06003	0.7
86.09618	5.6
88.03909	8.0
91.05416	0.8
93.04424	0.6
93.06973	1.1
95.05998	0.8
97.02837	0.9
98.97513	0.7
102.05472	2.8
103.05412	2.4
105.06979	0.9
107.04968	0.8
110.07098	17.2
110.07822	0.8
112.08710	0.6
113.94698	0.5
114.05452	0.6
114.09148	1.0
116.07090	0.7
117.10185	0.7
119.08485	0.5
120.08047	48.9
121.08414	0.8
125.07067	9.9
125.09625	0.5
127.03923	0.6
129.10194	4.7
130.04980	0.7
130.06464	0.8
134.92885	0.5
136.07602	2.8
137.05983	1.0
150.05540	0.5
151.03935	0.7
163.07533	0.5
166.06195	0.5
167.08138	3.0
169.13333	0.7
171.07677	2.3
177.00587	0.6
185.09171	11.4
185.10692	0.6
188.07063	0.9
189.12944	0.5
193.04889	3.5
196.06035	8.2
197.67805	0.5
213.08672	7.4
217.13318	3.5
227.11839	2.5
237.02844	0.5
245.12805	0.5
253.11906	3.2
254.12883	1.0
349.95840	0.5
360.15475	4.5
435.94354	0.5
447.27328	0.8
465.13861	0.6
465.19867	3.8
466.21451	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18240	0.7
51.07057	0.7
51.50257	0.7
53.03892	0.9
55.01775	1.4
55.05437	2.0
56.04966	1.5
57.03367	1.9
58.69630	0.7
61.02843	2.2
62.08717	0.8
63.21885	0.8
63.96187	0.8
66.68816	0.9
67.05419	2.2
69.03337	6.6
69.06972	4.9
70.06507	13.0
71.04894	2.1
72.08077	6.9
74.05959	1.0
79.05393	4.4
81.03329	1.5
81.06965	5.6
84.04415	2.0
84.08067	7.8
85.02821	21.7
86.09621	10.3
91.05400	2.4
93.06962	4.0
95.04910	1.2
95.08524	5.6
97.02825	5.6
97.06445	1.6
99.04357	1.2
100.11214	0.9
105.06944	4.0
107.08518	2.0
109.02822	2.4
109.10104	2.3
110.07094	5.7
111.08020	1.9
116.06982	1.0
117.06993	1.3
119.08500	3.6
120.08038	5.4
121.10109	2.2
125.84856	1.1
127.03886	1.3
129.10182	4.6
133.10081	1.9
134.99623	1.0
135.07959	1.2
137.05922	2.2
139.57713	1.1
145.06468	1.0
145.10092	6.1
147.08015	5.8
155.08469	1.4
157.10114	1.1
158.07214	4.1
159.08000	2.3
161.05899	4.7
161.09555	12.7
171.07950	2.1
172.08745	1.5
173.09558	15.3
175.07486	20.6
176.08206	1.1
182.07126	1.0
183.11751	1.0
185.09561	5.8
187.07480	6.0
187.11034	1.1
188.08322	1.1
189.09061	10.7
195.07967	1.8
197.09534	1.8
199.11169	5.5
201.09064	76.3
205.08559	1.2
209.09575	2.4
209.18906	1.1
210.10248	1.2
213.09071	4.4
213.12601	2.3
215.10623	1.3
224.11871	3.5
225.09065	5.9
225.12643	2.2
226.09938	1.4
227.10645	9.4
229.12172	5.2
237.12762	1.3
239.10451	3.8
239.14223	4.4
249.12550	2.0
252.11440	6.8
255.13765	7.8
257.15305	1.4
267.13602	14.2
273.14691	4.6
285.14499	6.9
303.15836	100.0
304.16321	2.1
464.32785	1.6
465.20782	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	465.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05435	14.0
56.04970	12.0
56.96495	9.9
62.14767	6.1
64.33510	5.4
67.05421	30.3
69.03343	11.8
69.06979	8.0
70.06511	80.6
71.04917	8.1
72.08064	38.1
74.06018	6.2
78.31950	6.8
79.05393	11.9
81.06963	45.0
83.04832	7.5
84.04445	16.1
84.08064	60.5
85.02802	13.5
86.09636	63.4
87.04401	9.4
87.09921	7.5
88.03902	6.9
91.05399	29.1
93.06985	13.6
95.04901	15.7
95.08529	31.9
102.05506	10.1
102.71436	6.2
103.05419	11.6
105.06961	14.8
107.04909	28.9
107.08546	10.0
109.10106	9.4
110.07083	23.3
116.98558	6.8
117.06963	8.6
119.04886	7.3
120.08051	34.8
121.06441	27.3
121.10133	13.2
122.03632	6.4
123.04401	11.4
129.06932	43.6
129.10196	34.8
131.04869	6.8
131.08580	24.4
133.10101	11.4
135.07985	9.6
137.05954	31.6
141.06937	10.0
147.11642	7.9
151.07480	12.7
153.05435	10.0
157.06425	14.8
158.24159	6.7
159.08025	9.8
161.05974	46.0
161.09599	7.5
163.07552	7.7
167.06990	95.0
169.06543	6.3
174.06683	36.4
175.07523	25.4
181.08585	54.0
189.09047	100.0
201.09108	14.9
203.05226	8.2
203.17854	10.2
210.09937	6.4
219.10159	76.5
223.07449	9.5
225.08994	8.5
271.09390	8.3
285.10901	12.3
303.15869	7.0
315.12192	8.0
325.44757	8.2
328.92236	7.2
338.76202	7.1
343.15131	15.6
360.15775	12.6
361.16290	66.2
435.19720	13.6
465.21124	93.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	0.8
55.01805	1.2
55.05444	2.6
56.04971	2.1
57.03366	2.4
60.04454	0.9
61.02855	2.8
67.05415	1.1
69.03352	6.0
69.06997	3.9
70.06142	1.0
70.06511	21.1
70.45670	0.4
72.08073	9.5
74.05993	0.7
75.05533	4.1
76.02133	0.8
80.21196	0.4
81.03323	2.6
81.06957	0.9
83.06008	0.6
84.04424	10.1
84.08065	10.5
85.02827	13.1
86.09627	41.9
87.04383	0.8
87.19479	0.5
87.61186	0.5
88.03894	0.9
91.05387	2.5
93.06968	2.4
95.04914	1.2
95.08537	1.0
97.02822	3.6
102.05458	4.2
103.05398	4.7
105.06934	1.3
109.02843	2.1
110.07116	6.6
111.00732	0.6
112.08655	0.6
117.07025	0.6
119.04888	0.6
119.08527	0.7
120.08060	100.0
121.02820	0.7
121.08396	1.2
127.03857	2.3
129.06743	0.6
129.10207	5.5
130.04959	2.0
131.04913	1.1
131.08542	0.8
133.06438	0.7
133.10100	4.7
134.10445	1.1
135.07994	0.5
135.11673	3.1
136.07559	2.7
137.02298	3.9
137.05943	2.3
143.11781	10.5
145.04962	0.8
148.05971	4.9
149.02284	0.6
152.07011	1.0
153.01796	4.7
159.09213	0.6
159.11652	2.0
161.05907	1.1
163.03831	0.6
163.07545	0.6
165.01810	2.1
171.11288	2.7
177.10249	0.9
183.02905	0.6
187.11075	1.1
201.05469	3.5
201.09091	3.2
205.09720	0.8
215.13852	1.0
223.10712	1.1
229.04887	5.1
247.05902	0.6
250.15164	0.7
257.04410	3.4
261.14426	0.8
273.16095	0.6
274.04691	0.7
285.03922	1.2
295.12860	10.3
303.04938	67.7
304.05417	4.8
318.18103	2.2
387.20731	0.5
419.18286	0.6
429.16019	0.6
486.15823	0.6
490.11462	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18833	1.5
53.40239	1.7
54.81590	2.6
62.32727	1.9
64.33202	1.9
72.52324	2.0
78.25651	2.2
82.89305	1.8
96.04061	2.0
114.37007	2.0
129.63077	2.1
167.83766	2.2
219.06511	2.9
341.52756	2.1
465.28152	100.0
466.28271	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	465.282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10266	1.6
57.11317	1.5
66.74699	1.6
69.54696	1.4
97.24970	1.8
168.85529	1.7
237.73221	2.0
365.90799	1.8
465.28131	100.0
466.28253	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.37
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41057	3.4
79.60508	3.3
103.49194	3.3
110.09354	3.2
199.23407	3.5
200.14911	3.4
435.35480	4.2
465.37024	100.0
466.37143	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	465.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05436	9.6
67.05424	8.8
69.06982	11.9
79.05411	6.5
81.06975	35.1
91.05396	5.0
93.06976	32.2
95.08527	56.3
105.06970	37.8
107.08529	59.1
109.10115	28.3
119.08572	12.6
121.10123	34.0
123.11674	8.9
124.21288	5.4
131.08551	5.9
133.10098	73.7
135.11670	31.3
141.77824	6.3
145.10127	50.3
147.11665	100.0
149.13252	23.6
157.10075	11.2
159.11674	53.0
161.13297	8.3
161.80589	5.6
163.14827	9.6
169.10139	9.8
171.11682	22.4
173.13177	42.0
175.14832	7.0
177.16422	5.8
187.14795	11.1
199.14775	11.6
227.17831	6.4
243.21126	19.5
267.21164	11.9
269.22601	24.5
303.22989	6.2
327.23181	59.8
405.35321	22.7
465.37012	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29382	4.3
53.06511	5.2
55.76196	5.2
56.75901	4.5
56.91786	4.7
57.03357	22.8
59.70371	4.0
69.03349	82.2
70.06499	25.6
72.08063	12.5
81.03321	7.6
83.06016	6.7
84.04407	24.9
84.08076	7.7
85.02824	80.5
86.09626	5.6
87.04403	47.9
91.05404	12.5
93.43017	5.6
95.35096	5.3
97.02818	64.8
101.07073	5.9
115.03862	38.4
115.08708	6.0
119.04852	7.7
120.08057	100.0
133.04958	39.8
134.04449	7.2
137.05922	99.4
145.11578	5.9
149.05969	5.0
151.07520	7.8
161.05911	5.4
165.05386	23.1
177.10176	35.6
179.06943	21.1
191.06837	5.1
194.07253	7.2
205.09657	6.5
216.11299	41.7
221.07927	5.9
223.07585	37.0
233.07991	8.2
234.12263	10.3
251.09128	10.2
258.49722	5.0
268.09628	21.6
276.13220	5.7
363.16513	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	466.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00240	1.2
53.03890	1.8
55.01798	5.8
55.05444	2.1
56.04972	4.8
56.96500	6.0
57.03372	30.2
59.04933	7.3
60.04454	4.9
61.02850	5.3
62.06016	15.7
66.45574	1.1
69.03350	100.0
69.07005	1.6
70.06512	21.5
71.04943	1.2
71.47374	1.1
72.08065	17.9
73.02818	2.6
75.04392	10.8
79.05402	1.7
81.03326	5.2
84.04415	9.5
84.08070	14.8
84.86152	1.2
84.86633	1.3
85.02824	67.1
86.09620	8.0
87.04391	64.4
87.32748	1.2
91.05367	1.1
93.06979	1.8
95.04895	11.6
97.02821	60.0
98.97521	9.9
99.04369	1.9
105.06973	1.6
107.04892	2.4
109.02826	4.7
110.07115	5.5
115.03875	52.0
116.04236	1.1
116.98572	12.6
120.08052	7.5
121.06460	2.6
123.04379	50.4
124.05178	11.3
127.03860	7.1
128.98541	2.8
129.10214	9.8
130.04971	2.2
131.08420	1.2
133.04933	50.0
133.06445	1.7
134.99617	7.6
135.04446	1.5
136.07491	1.2
137.05962	21.1
139.03891	13.8
139.07567	2.4
139.08604	1.5
140.04660	7.1
141.05504	1.6
144.97992	1.3
145.04956	2.3
145.06451	1.1
146.06055	1.2
146.99641	5.9
147.04358	5.6
148.05162	2.2
149.02284	2.0
150.07605	7.6
151.07513	26.7
153.05446	11.6
155.07001	92.2
158.99608	1.7
159.07707	1.2
161.01216	2.0
162.06781	1.8
162.99065	1.4
163.03886	1.5
164.04668	28.0
167.07031	10.3
169.03152	1.1
169.05032	1.3
170.99620	2.5
177.00642	4.7
177.08981	1.3
178.06265	1.7
179.06993	57.9
182.05722	12.2
189.00636	2.6
191.06990	12.3
193.08546	2.4
197.08058	7.9
204.07896	1.1
205.08482	3.4
205.36816	1.2
206.05721	1.6
213.07680	1.7
219.01721	5.7
221.08040	5.0
223.07455	2.0
233.08040	12.9
237.02780	10.8
251.09085	19.0
255.03877	1.6
281.10089	2.8
287.11090	2.1
293.09021	19.3
311.10165	2.7
364.04288	1.4
407.12244	17.8
467.19214	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	466.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04975	3.6
58.06521	0.5
60.05574	3.6
60.12452	0.3
60.68592	0.4
65.48235	0.4
69.00829	1.6
70.06503	8.1
72.08066	0.4
73.07569	1.6
76.56244	0.4
83.06013	16.5
84.04447	1.5
84.06763	0.5
84.08051	0.7
86.02943	0.5
86.03471	12.8
86.09606	0.7
92.10770	0.6
97.07583	10.2
105.03314	3.1
115.08630	6.6
116.32598	0.4
120.04413	12.4
120.08023	0.9
129.10170	0.5
130.02814	0.5
132.04417	5.0
132.07982	0.4
134.05965	4.8
136.07597	0.7
141.06563	5.7
146.05998	0.8
158.05977	3.7
159.09117	1.7
160.07492	0.4
161.07051	3.2
161.17339	0.4
175.08623	0.4
177.01935	0.4
187.08609	1.9
189.04691	0.5
189.06390	0.5
194.64365	0.4
202.41063	0.5
206.12857	2.8
216.11270	100.0
217.09671	0.9
217.11543	2.1
232.10764	1.7
233.13885	0.8
234.12306	37.3
235.12572	0.5
249.32611	0.6
260.10187	7.0
288.13324	3.0
298.49374	0.5
302.14874	0.8
317.16040	6.0
319.17688	8.7
345.15390	0.5
363.16516	60.3
364.16913	2.2
381.17572	7.7
389.14493	1.6
466.20270	2.6
467.18549	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19790	0.4
58.17507	0.4
58.98009	0.4
59.04925	1.8
59.33290	0.4
60.04455	100.0
61.02861	0.5
69.03360	2.2
70.36715	0.4
72.08080	0.8
73.35030	0.4
81.03337	0.6
82.72470	0.5
84.04449	2.1
84.08062	0.6
85.02813	4.7
86.09624	74.3
87.05503	4.2
97.02827	3.1
103.05421	0.9
113.07029	0.4
119.01817	0.5
120.08060	21.2
121.08402	2.5
127.03918	0.9
128.10690	2.7
130.05002	0.7
132.10165	48.4
133.10480	0.5
139.03920	1.0
145.03488	0.6
145.04948	1.0
151.03914	1.8
155.02022	0.5
166.08620	5.3
167.08910	0.5
173.12823	25.8
201.12341	5.8
219.13353	60.0
220.13867	0.7
221.05112	0.5
233.88356	0.5
237.02878	0.7
242.08751	1.9
243.08946	0.5
331.86026	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40282	0.2
53.03889	0.4
55.01798	0.4
55.05453	1.2
56.86562	0.2
56.96487	0.3
57.03372	4.5
57.07014	1.0
58.75301	0.2
59.04930	0.9
59.36778	0.2
60.04441	0.4
61.02849	0.3
67.05431	3.2
69.03353	12.6
69.06989	1.7
70.06498	0.5
73.02827	0.4
75.04379	1.4
79.05412	5.8
81.06976	100.0
81.16679	0.2
82.06466	0.3
82.07301	1.0
82.09631	0.2
83.04917	0.3
84.04446	0.2
84.08086	0.4
85.02341	0.5
85.02828	9.7
86.09631	0.6
87.04395	7.8
91.05414	0.4
93.06973	0.5
95.08535	14.5
97.02829	8.1
97.06479	0.3
100.11161	0.4
103.03879	0.3
105.06969	0.4
109.10116	1.0
115.03880	7.2
120.08092	0.3
127.03898	1.3
133.04939	8.1
137.05962	0.4
137.13231	11.8
137.14227	0.5
145.04893	0.5
150.07622	1.6
169.04828	0.3
171.07809	0.3
174.70517	0.3
182.15466	0.4
276.08420	0.3
277.09497	0.3
289.07095	0.3
295.10361	0.3
300.62827	0.3
466.31400	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50052	0.5
53.00243	1.1
53.03872	0.9
55.05443	2.3
56.96474	0.5
57.03374	13.4
57.07001	2.4
59.04924	3.6
60.04443	1.5
61.02844	0.9
67.05415	5.8
69.03346	37.5
69.06981	8.8
70.06506	1.2
70.25293	0.5
71.04892	0.6
72.08031	0.9
73.02835	1.2
75.04386	3.7
79.05405	7.5
81.03345	1.3
81.06972	100.0
83.04890	1.0
83.08519	1.1
84.04430	0.6
85.02824	32.4
85.06449	0.8
86.09647	0.8
87.04392	26.3
91.05370	1.0
93.06963	3.3
95.08532	28.0
97.02821	29.3
97.06451	0.7
98.97523	3.1
99.04383	1.2
100.11176	1.0
103.03824	0.6
104.18145	0.6
105.06980	3.0
107.08559	1.3
107.54340	0.6
109.02834	0.8
109.10087	2.5
111.11646	3.2
115.03883	26.4
116.98553	2.5
119.08507	1.0
121.06508	0.7
121.10074	1.5
123.11622	0.7
127.03878	2.7
133.04924	26.3
133.10060	0.7
134.99666	1.1
137.05980	0.8
137.13228	14.1
145.04935	3.4
150.07579	2.8
153.12697	0.8
155.14284	0.9
163.06012	0.8
165.09000	0.6
177.00644	1.0
259.08017	1.2
295.10193	1.0
299.75870	0.6
325.27930	0.7
483.33621	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30270	0.2
53.03884	0.5
54.53741	0.2
55.05439	1.1
56.96483	0.2
57.03372	3.8
57.07006	0.6
59.04923	1.2
60.04443	0.4
67.05430	2.7
69.02969	0.4
69.03346	11.8
69.03737	0.4
69.06988	2.5
70.06512	0.6
73.02840	0.3
75.04396	1.1
79.05406	6.4
80.55086	0.2
81.03324	0.3
81.06971	100.0
82.07318	0.6
82.08491	0.3
84.04395	0.3
85.02824	9.5
86.09612	0.3
87.04390	7.8
91.05368	0.4
93.06952	1.3
95.08533	15.0
97.02818	7.7
100.11180	0.5
109.02814	0.4
109.06441	0.3
109.10100	0.6
110.07128	0.4
111.04348	0.4
115.03882	7.6
127.03867	0.9
131.04938	0.3
133.04929	7.1
135.11639	0.4
137.13225	11.1
145.05031	0.4
150.07607	1.4
259.08124	0.4
295.10254	0.4
346.14755	0.3
355.36667	0.3
365.54230	0.3
420.92752	0.3
436.78412	0.3
456.14020	0.3
466.31137	0.4
478.85928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.143
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96501	19.8
57.03366	0.9
60.24205	1.0
67.49018	0.9
69.03336	4.4
70.06489	1.7
72.08049	3.7
73.31089	0.8
74.05998	0.8
74.53866	0.8
74.97513	0.9
84.04446	1.1
84.08058	1.8
84.95951	9.3
85.02823	6.3
86.09618	1.9
97.02812	5.0
98.97507	69.3
98.98384	3.2
110.97530	9.5
116.98565	51.6
116.99394	1.9
120.08084	1.9
120.16830	0.9
122.03571	4.3
123.60313	1.1
128.98552	24.3
130.06407	1.0
131.00122	4.8
133.04955	1.4
133.06032	1.1
134.99625	25.6
136.07631	0.9
137.05945	51.1
138.06277	11.2
140.98520	3.5
143.00142	9.5
144.98074	1.5
146.99593	20.9
149.01227	1.2
152.98534	6.2
153.00635	2.1
158.99620	15.2
161.01184	15.6
162.99100	6.2
165.00734	3.2
170.99600	18.8
173.01204	1.8
176.00005	1.6
177.00659	18.7
179.02261	1.6
189.00648	17.1
191.05864	1.6
195.01698	3.8
196.17592	1.1
201.00674	3.9
207.01701	3.6
213.00620	1.4
215.05916	1.4
219.01706	21.6
231.01697	1.9
237.02756	68.9
255.03754	6.5
257.23248	0.9
275.07895	6.5
293.09006	100.0
294.09311	3.8
311.10028	25.5
407.12155	98.8
408.12125	1.0
425.13123	14.1
467.13159	8.9
467.18948	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05451	2.5
56.96498	19.7
57.03363	5.6
57.49989	0.9
59.04944	1.1
62.06011	1.1
62.15965	1.2
64.33279	0.9
68.43602	0.8
69.03342	16.4
70.06493	5.6
71.29525	0.9
72.08067	11.9
79.05403	1.1
84.04428	2.3
84.08077	9.3
84.95956	10.8
85.02822	12.6
86.09614	4.4
87.04383	8.5
88.46007	1.1
95.04890	1.4
97.02812	7.6
98.97507	63.3
98.98441	2.1
110.07067	1.0
110.97498	8.9
115.03886	7.5
116.97751	2.1
116.98564	52.9
120.08039	1.5
123.04372	4.8
128.98558	23.0
129.10172	6.3
131.00122	4.2
133.04936	7.6
134.99619	23.0
136.07509	1.1
137.05954	9.6
139.03845	6.7
140.98553	4.4
143.00107	10.4
144.98074	2.3
145.04971	1.1
146.99609	23.3
147.04370	1.1
149.01184	2.1
151.07515	1.9
152.98569	6.3
153.00688	2.2
155.00206	1.4
155.07059	7.8
156.07242	2.0
158.99620	16.3
161.01181	17.8
162.99100	5.5
164.04655	1.4
165.00623	3.9
170.99634	16.4
173.01215	4.2
177.00673	19.0
179.02232	4.1
179.06960	2.0
180.07433	1.2
189.00636	15.8
191.05785	2.3
195.01733	1.2
201.00684	2.3
207.01695	5.0
213.00658	1.8
219.01701	23.3
231.01730	2.4
237.02756	55.5
238.03030	1.2
242.03311	1.5
251.08978	1.2
255.03790	5.0
275.07956	5.8
293.09003	93.0
294.09344	1.5
311.10034	29.1
316.10596	1.3
391.91016	1.1
407.12131	100.0
425.13165	17.3
426.13794	1.3
466.22635	1.0
467.13269	8.2
467.19040	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	467.1547
Annotation	Symplocoside
Peak:m/z	Relative Intensity
53.00233	0.2
53.03874	0.4
55.01815	1.5
55.05434	0.9
56.04962	0.7
56.96488	0.2
57.03357	1.0
57.32703	0.2
60.04441	1.2
60.05559	0.2
60.14793	0.1
61.02840	0.8
65.03852	1.0
67.05420	1.6
68.99693	1.5
69.03344	2.8
69.06977	0.7
70.02859	0.2
70.06133	0.3
70.06503	6.3
71.04883	0.4
71.06829	0.3
72.08066	4.1
73.02821	0.4
73.08381	0.2
74.05967	0.9
75.04396	0.2
79.05405	0.4
81.03351	1.4
81.06963	0.3
82.06509	0.3
83.01264	0.2
83.04879	0.8
83.06003	0.2
84.04424	2.6
84.08058	4.6
85.02820	7.1
85.04775	0.2
86.09621	6.7
87.04388	0.3
87.05531	0.2
87.09928	0.2
88.03892	0.4
91.05386	2.1
93.03326	1.0
93.06953	0.7
94.04102	0.3
94.55093	0.2
95.04860	1.5
95.05990	0.2
95.08545	0.2
97.02821	2.6
98.05987	0.2
98.97530	0.3
99.04342	0.3
99.05479	0.2
100.07501	0.2
102.05476	0.9
104.05315	0.2
105.06966	0.4
107.04897	0.8
109.02816	0.3
109.06448	0.3
110.07088	2.5
111.04382	3.4
112.03849	0.2
112.08683	0.6
113.03349	0.2
113.07050	0.3
114.73296	0.2
115.03862	0.2
115.05422	0.3
115.08588	0.2
115.69670	0.2
116.07027	0.3
117.06986	0.2
119.04888	3.3
120.08043	0.8
121.02841	0.3
121.06451	0.4
121.08290	0.2
122.03584	2.4
123.04376	0.3
127.03858	1.0
127.08501	0.2
129.10196	2.3
130.04965	0.2
131.04863	0.2
133.06447	1.2
133.10172	0.2
135.04379	0.8
136.07535	1.3
137.05946	55.3
138.06262	0.6
139.03870	100.0
140.04187	1.4
143.04901	1.1
146.99657	0.2
147.04376	19.5
148.04713	0.3
150.09138	0.2
151.03893	2.1
151.07536	0.2
153.05450	0.9
157.08572	0.2
157.13356	0.2
160.05074	0.2
161.05920	2.3
163.03860	2.6
167.06944	0.2
175.07503	2.7
177.05440	0.8
177.25560	0.2
179.06992	3.3
181.04860	1.7
189.05440	0.3
191.07060	0.2
193.04964	0.2
193.08504	1.6
203.06999	0.7
205.04881	1.0
219.01764	0.3
221.08060	2.5
247.05867	0.3
287.09015	1.4
301.09262	0.3
305.10095	9.9
306.10364	0.3
311.08899	0.2
382.17380	0.2
395.06430	0.2
466.24588	0.3
467.18549	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	4.8
55.79261	0.8
56.04978	5.9
57.03358	1.0
60.04446	3.2
66.42092	0.7
67.05431	1.0
69.03346	1.6
69.06977	1.8
69.12916	0.7
70.02863	0.9
70.06137	1.7
70.06508	41.0
71.04912	4.0
71.06828	1.9
71.32391	0.8
72.08070	29.8
73.08385	1.5
74.05979	3.7
76.56063	1.1
79.05392	1.2
81.06995	0.8
83.04871	1.0
83.05994	0.7
84.04427	12.5
84.08067	28.2
85.02827	8.2
85.08372	1.0
86.05965	0.9
86.09140	1.5
86.09627	28.1
87.05518	3.2
87.09968	1.3
88.03905	3.8
91.05409	6.9
93.04443	1.5
93.06968	1.1
95.04875	0.9
95.06003	1.4
97.02844	1.1
98.97556	0.9
101.07081	1.4
102.05474	4.0
107.08611	0.8
110.07115	17.9
112.08627	1.7
114.09113	1.0
115.08640	1.0
116.07058	4.2
116.98602	1.0
119.04887	4.3
120.08050	10.5
121.06457	1.8
121.08364	1.7
129.05450	1.0
129.10207	12.9
130.04964	1.2
130.06525	1.1
133.06070	0.9
136.07552	25.9
137.05997	1.9
139.03902	1.7
142.91515	0.8
164.11720	1.0
171.14972	1.1
193.09679	1.5
201.09094	3.2
201.12344	2.1
239.10139	1.4
288.12241	4.3
296.92383	0.8
407.16809	1.7
455.86957	0.8
467.18793	100.0
468.19040	1.8
471.48193	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93569	0.6
55.05442	0.6
56.04977	1.5
56.96489	0.8
57.03372	1.6
60.04458	1.5
69.03345	4.9
70.02903	0.7
70.06511	12.7
72.08062	6.9
74.05984	1.4
79.05388	1.1
81.06937	1.1
81.25191	0.9
83.06033	3.0
84.04434	4.3
84.08066	5.7
85.02831	6.7
86.03477	1.3
86.09602	7.0
87.04393	2.8
88.03936	1.4
90.95575	0.7
94.04123	1.7
94.81786	0.8
97.02832	3.4
97.07614	1.3
98.97517	3.8
102.05482	1.1
109.48392	0.8
110.07131	5.1
115.03905	1.3
115.08613	1.8
116.98557	1.7
120.04433	1.8
120.08086	4.4
122.03636	5.7
122.58550	0.8
123.04468	1.1
129.10216	3.1
130.06505	1.0
133.04929	0.8
134.06006	1.1
134.99666	1.5
136.07584	3.5
137.05952	100.0
138.06296	27.7
139.03896	1.3
141.06575	1.1
146.05949	1.1
146.99701	1.5
151.03879	3.6
153.06534	1.0
158.99640	1.4
164.35806	0.8
185.04222	1.6
216.11285	14.8
217.11646	8.2
234.12389	6.6
235.12575	3.1
237.02843	1.3
260.10446	1.0
279.07367	1.6
287.12482	7.1
297.60898	0.8
304.12762	1.0
305.13519	36.3
305.16983	1.5
348.79395	0.9
363.16678	6.8
364.16837	7.1
382.17886	0.9
407.12125	3.2
467.18832	88.2
468.19031	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1914
Annotation	3',5-Dihydroxy-3,4,4'-trimethoxybibenzyl-5-O-glucoside
Peak:m/z	Relative Intensity
52.44133	0.6
54.81828	0.8
55.01800	1.2
55.05436	1.5
56.04964	1.5
57.03363	2.6
61.02835	2.7
67.05407	2.8
69.03345	9.9
69.07002	5.3
70.06506	7.2
71.04903	1.4
72.08068	2.7
75.74271	0.6
79.05407	0.8
81.03324	2.8
81.06957	3.7
83.04887	0.9
84.04420	1.4
84.08070	10.0
85.02338	1.2
85.02826	26.0
85.06440	1.2
86.09619	10.4
87.04410	1.1
88.03910	1.6
91.05400	4.2
93.06956	2.9
95.04866	1.0
95.08520	3.3
97.02826	5.0
97.03924	3.8
97.84111	0.7
98.09598	0.7
98.97496	1.3
105.06967	3.9
107.04913	1.0
107.08545	0.9
109.02827	1.0
109.10075	1.4
110.07088	2.8
115.05429	0.8
116.98605	1.0
119.08518	2.4
120.08054	8.5
121.06480	4.6
121.10103	1.6
127.03873	3.9
129.10202	4.1
130.06503	4.4
130.08540	0.8
130.22791	0.6
131.08501	3.0
132.08038	7.9
133.06467	1.6
133.10068	1.4
135.07993	1.3
137.05957	1.5
141.06918	2.7
143.04485	6.7
144.05659	2.6
145.06499	0.7
145.10060	1.5
147.08040	4.7
155.08492	1.2
157.10051	1.2
158.07204	1.2
158.08356	7.3
159.07985	15.8
159.09160	6.9
159.11642	1.0
161.05925	3.6
161.09572	31.3
165.06931	1.4
167.07021	14.8
167.08340	1.2
169.07544	5.7
170.05939	1.2
171.08005	6.0
172.08765	3.1
173.05911	3.8
173.09601	5.4
175.07494	9.5
177.05428	55.4
179.06966	0.9
180.09282	3.1
183.07887	0.9
185.05905	1.1
185.09569	4.3
187.07465	47.6
188.08003	1.0
189.07370	0.9
189.09058	21.0
190.09354	0.8
191.06993	27.3
195.08009	1.0
195.11617	3.2
197.09555	1.4
198.10349	4.9
199.07510	5.3
199.11137	8.0
201.05367	1.5
205.10085	0.9
208.08803	9.0
210.10355	1.2
211.07460	5.2
212.08315	1.0
213.08893	0.8
213.12683	10.5
217.08560	30.8
219.06454	3.4
223.11147	37.7
224.11440	0.9
225.09126	0.8
225.12654	1.3
226.09839	21.9
239.07956	1.4
241.12180	100.0
242.12584	1.5
243.13817	1.0
254.09351	1.5
259.13196	4.3
269.11646	19.1
274.11771	7.2
284.10199	2.7
287.12708	50.5
288.13168	0.7
302.11166	3.2
305.13788	38.8
305.17319	1.5
306.14111	1.0
334.70502	0.8
436.17944	0.9
467.16754	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.24
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32156	5.3
55.01811	12.7
55.05444	75.4
57.03377	7.5
57.07003	43.0
67.05423	77.4
69.03352	8.2
69.06989	33.9
71.04910	10.4
71.08542	15.5
79.05412	42.1
81.06980	86.7
83.04901	49.2
83.08546	33.3
84.60506	7.0
85.02821	9.3
85.10126	11.8
91.05398	50.3
93.06969	32.0
94.96706	6.6
95.04884	9.9
95.08545	47.4
97.06426	10.8
98.97509	16.5
98.98395	100.0
99.08012	7.9
105.06981	43.2
107.04830	8.7
107.08521	15.8
109.10104	29.2
111.08004	11.4
113.09602	10.8
114.67007	7.0
116.98566	16.5
116.99385	8.3
117.00941	10.0
119.08537	17.2
121.10114	11.6
123.11620	6.9
133.10101	33.5
133.56003	7.7
134.99545	9.0
135.11685	9.5
147.11681	29.5
163.11206	7.8
165.03003	14.2
165.12744	15.8
175.01540	30.0
177.00684	16.8
185.09599	8.6
214.92297	7.1
277.21619	41.3
331.12634	9.8
351.25098	65.9
369.26215	59.0
395.09915	30.3
431.27948	9.4
451.16437	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	467.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24382	1.4
54.81400	1.8
63.95512	1.7
98.98409	2.2
129.44189	1.9
137.72696	2.2
246.43390	2.3
265.75320	1.9
312.10919	2.1
405.16367	2.2
467.29694	100.0
468.29956	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	467.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01804	23.0
55.05439	38.1
55.32055	5.3
56.10793	5.2
57.03366	6.3
57.06996	7.8
66.20670	4.8
67.05441	58.2
69.03347	24.9
69.06975	27.6
79.05422	42.5
81.06985	100.0
83.04900	12.5
83.08546	23.1
84.08091	5.3
85.02827	48.3
85.06483	5.1
85.10092	6.6
91.05417	41.7
93.06982	57.3
95.08540	65.0
97.06487	9.8
98.97478	10.3
98.98408	73.0
105.07007	56.8
106.02470	6.1
107.08553	53.5
107.36731	5.9
109.06477	8.0
109.10081	30.3
111.08012	30.2
116.98537	5.5
117.06934	8.7
119.08544	49.9
121.06458	6.6
121.10108	38.9
129.07004	8.7
131.08511	22.4
133.10063	32.7
135.11623	11.7
135.57611	5.8
137.06017	6.6
143.08481	8.4
145.10066	40.6
147.11708	39.2
157.10088	8.0
158.11000	6.2
159.11632	12.6
161.13260	10.2
163.07417	6.0
164.66866	6.4
165.12708	8.4
173.13228	13.3
175.14755	9.6
187.14793	32.1
189.16328	11.4
199.14757	7.1
229.19508	30.6
234.01292	5.3
241.63559	5.3
269.22522	13.2
277.21539	56.6
286.62137	6.6
287.23492	27.0
295.22693	19.9
436.58310	6.6
467.13004	10.9
467.20236	7.2
467.31223	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	468.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01131	0.7
53.03879	1.2
53.10455	0.7
55.05443	2.3
56.04961	4.5
57.03373	8.2
59.04915	1.7
60.04433	0.9
60.05557	1.0
61.02843	4.7
68.28386	0.8
69.03350	7.7
70.06505	9.5
71.01263	1.6
71.04903	31.3
72.08068	1.9
73.02806	4.3
74.02337	5.7
74.05992	7.0
74.09641	1.3
75.04389	2.2
81.03312	1.6
83.04883	4.4
83.06012	7.0
84.04421	5.3
84.08046	6.0
85.02821	41.6
86.03483	2.0
86.09620	7.9
87.04382	4.2
87.05515	7.4
88.03910	5.6
91.05399	11.8
93.04445	1.1
95.04861	0.9
97.02814	5.5
97.07571	1.7
98.97511	1.2
99.04346	1.2
102.54785	0.9
109.02784	1.2
110.07112	46.6
111.04378	2.3
111.07449	1.6
115.05424	6.4
115.08645	1.8
119.04895	5.9
120.04410	3.9
120.08056	2.3
121.04752	1.4
121.08387	1.9
123.04398	7.0
127.03841	1.8
129.05469	1.3
129.10210	3.4
130.06497	3.6
132.08041	5.7
133.06041	10.0
135.07968	1.0
136.06601	1.7
136.07544	20.4
137.05934	1.9
139.03885	10.6
141.06599	1.5
142.06471	39.2
143.07314	7.4
144.08069	15.3
151.03847	3.7
158.05995	4.0
159.06735	1.5
160.07538	86.0
163.03873	1.7
172.07460	1.1
179.12544	1.0
185.09079	0.9
189.00682	1.2
202.08607	1.1
216.11264	14.4
217.11620	15.0
218.11813	6.0
219.01695	1.6
234.12373	5.2
235.12663	4.4
236.12886	3.7
237.02811	1.4
239.11201	0.9
289.07080	1.3
290.16193	1.3
304.11700	1.0
308.17078	0.9
321.18347	1.1
322.12784	100.0
323.13000	3.9
363.16376	1.2
364.16684	9.3
365.17032	10.3
383.18420	1.1
432.11203	1.7
467.18646	5.2
468.18723	42.1
469.18793	2.1
486.08640	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	5.7
55.05446	21.0
56.96499	3.8
57.07003	28.1
67.05421	5.9
70.06518	13.0
71.04907	6.5
82.73412	3.4
82.98920	8.0
83.04893	72.7
84.95958	3.2
98.98374	11.5
101.05962	3.8
105.06978	5.3
117.00970	36.2
119.08504	3.2
135.02046	17.3
147.02060	18.5
147.11520	4.4
165.03101	37.3
175.01495	100.0
181.02615	4.8
227.04689	5.3
238.41080	4.2
259.66095	3.8
275.06802	5.8
313.12006	5.1
331.13071	43.7
354.06888	3.5
377.09103	12.2
395.10168	44.8
451.16104	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	0.7
55.01806	0.8
55.05452	5.4
55.32990	0.5
56.96504	0.6
57.03366	2.4
67.05422	3.6
69.03016	0.5
69.03330	4.6
69.06989	7.8
70.06504	1.3
71.04899	1.5
73.02826	0.9
75.04382	1.2
79.05402	4.6
79.24314	0.6
81.03352	0.9
81.06965	10.8
82.07314	0.8
83.04903	1.0
83.08524	1.2
84.04433	0.6
84.08060	1.1
84.39857	0.7
85.02818	9.6
85.06488	0.7
86.09636	1.1
91.05408	3.3
92.10863	1.9
93.06972	6.2
95.04901	1.0
95.08539	7.2
95.44967	0.6
97.02808	3.2
97.06469	6.2
99.07983	1.4
105.06944	5.1
106.07268	0.6
107.08540	4.3
109.10103	2.8
110.07101	2.7
111.08012	3.4
117.07004	1.3
119.08514	4.4
121.06446	14.0
121.10076	2.9
125.09571	1.3
127.81046	0.6
129.06982	0.9
131.04918	0.8
131.08524	3.3
133.06435	0.8
133.10056	4.0
135.08029	3.9
135.11676	0.6
137.05936	1.0
141.60156	0.6
143.08533	0.9
145.06465	3.3
145.10103	4.1
146.07242	1.5
147.08017	48.6
147.11629	1.0
149.09547	1.2
149.13235	0.7
155.08536	1.0
157.10161	0.9
158.07178	4.6
159.08028	22.8
159.11659	4.8
160.08830	0.8
161.09576	68.9
161.13228	1.1
162.09892	0.9
163.07501	2.3
167.08540	0.9
169.10063	1.5
171.08006	24.0
172.08810	4.6
173.09572	22.4
175.11116	7.6
179.08557	1.0
183.07990	0.8
183.11656	2.4
185.09584	18.2
187.11140	62.1
189.09032	0.9
193.10110	2.5
195.08009	0.9
196.08839	2.7
197.09554	17.2
198.10320	1.3
199.11064	4.4
199.14766	1.2
201.09068	3.4
201.12688	8.5
201.16170	0.5
209.09641	3.1
210.10373	2.8
211.11133	19.8
213.12708	14.9
215.10661	1.4
215.14343	2.7
223.11142	3.1
224.11922	4.1
225.12682	12.5
225.16344	2.6
227.14311	2.5
229.12250	1.1
235.14799	1.4
238.11218	0.6
238.13509	3.9
241.15811	5.7
243.17383	5.8
253.15811	37.6
254.16257	0.9
271.16858	21.7
289.17914	100.0
290.18213	4.4
342.34442	0.7
429.18472	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3082
Annotation	1-Myristoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
52.79713	0.5
53.16877	0.4
55.05453	0.6
56.04970	1.2
57.03375	0.8
57.07014	4.2
58.06523	0.9
60.08094	22.7
67.05437	1.3
69.06982	2.3
71.07301	7.3
71.08552	3.0
74.69466	0.5
81.06969	2.5
83.08511	0.8
85.10111	2.3
86.09628	71.8
87.97778	0.6
95.08524	1.0
98.98413	5.6
104.10681	100.0
105.10989	0.7
109.10096	0.7
124.99966	40.9
163.01591	1.1
184.07306	92.6
185.07623	1.1
229.30470	0.6
285.24283	2.8
450.29614	5.7
458.84827	0.6
468.30780	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	468.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68400	0.8
55.05452	40.0
57.03374	19.0
57.07009	25.3
61.72253	0.9
62.00247	0.9
62.06015	1.9
67.05424	23.2
69.06601	1.6
69.06985	44.8
71.08540	12.3
74.14356	0.8
79.05415	10.2
81.06973	22.4
83.04902	1.2
83.08535	29.8
85.10093	5.7
89.05956	10.2
92.13546	1.0
93.06964	11.7
95.08530	27.1
97.06465	4.0
97.10099	14.8
98.98358	1.3
107.08547	9.6
109.10097	10.1
111.08016	1.4
111.11691	4.1
112.99961	61.4
121.10091	17.9
123.11691	1.4
133.08543	1.7
135.11641	8.4
144.75740	1.0
149.13214	2.0
164.91283	1.1
169.02568	35.5
173.54572	1.1
177.11249	1.4
200.70770	1.0
224.37946	1.1
243.96275	1.2
266.05777	0.9
275.47958	0.9
276.15796	1.0
283.17398	4.6
296.29416	1.1
327.28952	8.0
339.28857	100.0
340.29068	4.3
407.25250	1.1
451.36172	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	469.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	0.9
56.04961	1.6
57.03364	1.6
60.04444	0.6
62.49282	0.3
67.05434	0.5
69.03356	3.0
69.06984	0.5
70.06512	11.9
71.06844	0.5
72.08064	6.2
74.05988	2.2
76.02131	1.5
78.48203	0.3
79.05406	0.6
81.06966	0.8
83.06015	0.7
84.04426	4.1
84.08075	10.0
85.02819	2.2
86.09630	5.2
87.04403	0.7
88.03900	0.3
91.05419	3.9
92.05712	0.4
93.06948	0.6
95.04889	0.4
95.08504	0.3
97.02829	0.8
98.09629	0.5
100.07561	0.6
102.05467	0.6
103.05420	6.9
104.05739	0.8
105.03338	0.4
105.06993	3.5
107.08523	0.5
109.06484	0.5
109.10053	0.4
110.07107	3.7
111.04345	0.4
115.05431	0.6
119.04912	4.3
119.08554	0.6
120.08066	5.0
124.05212	0.4
127.03620	0.5
129.10199	6.7
131.04906	11.6
132.05234	1.9
133.02852	0.6
133.06465	2.3
135.08003	0.6
136.07574	0.6
137.05949	4.3
147.04420	2.3
147.07874	0.4
147.11255	0.4
151.07504	0.8
161.05951	4.1
162.06541	1.7
163.07506	3.4
173.09103	0.4
175.03674	2.6
179.06993	0.5
181.08559	0.7
187.07661	0.7
210.14764	0.4
317.08374	13.8
337.09164	0.6
354.24097	0.6
469.13089	100.0
470.13367	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	469.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81552	1.6
55.05446	5.6
56.96504	26.0
57.07004	8.6
64.33163	2.0
69.06981	2.1
71.04903	2.7
81.06973	2.3
83.04914	11.9
88.06626	1.6
93.06942	2.6
97.09566	1.6
116.85883	1.7
117.00964	3.3
118.48494	1.9
119.08452	2.2
124.76628	1.6
147.02037	2.1
151.17841	1.7
165.03061	7.5
175.01505	19.7
176.01863	2.9
180.45621	1.6
181.02452	2.0
181.03896	2.6
257.75009	1.8
275.09579	2.8
299.13330	1.9
303.08957	3.3
317.14111	3.6
319.15726	3.8
327.12256	3.2
331.12909	11.1
332.13504	5.9
343.15744	3.6
345.13589	9.5
361.16730	21.8
363.14700	17.9
379.17862	100.0
380.18182	2.7
387.14807	7.5
388.49442	2.1
396.10037	3.3
397.18668	6.6
405.15805	29.2
423.16821	96.4
427.13919	2.4
428.17242	2.5
441.17807	9.6
446.18271	10.5
451.16245	10.9
452.16580	18.0
459.69690	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69298	0.4
54.81941	0.7
55.05446	0.7
56.96477	0.4
60.05564	0.5
64.52730	0.4
67.05437	0.6
68.04903	0.5
70.06505	100.0
71.06813	0.8
72.08071	1.2
81.06974	0.8
83.04893	0.5
97.07616	0.5
105.06973	0.6
105.15128	0.4
112.08678	10.2
114.10251	1.9
116.98614	0.6
117.00984	0.6
147.08012	0.5
176.01820	0.6
232.80956	0.5
248.37892	0.5
280.51175	0.7
396.10519	0.6
414.46625	0.6
425.29224	4.1
469.16284	1.0
469.28070	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	469.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75388	6.7
51.32974	7.2
55.05441	19.7
56.09134	6.5
57.07018	8.4
62.33742	8.4
64.62037	7.3
66.46188	8.4
67.05412	19.4
69.06966	17.3
79.05384	15.2
81.06965	50.6
83.04883	32.1
83.08511	12.1
84.08044	33.5
84.80857	8.1
85.02800	9.6
86.09638	9.5
91.05380	30.4
92.10962	9.1
93.06964	73.1
95.08531	86.2
100.11163	13.0
100.53635	8.8
105.06989	83.2
107.08538	84.2
109.10104	41.7
110.07173	8.7
117.06931	11.9
119.08529	97.9
121.10111	59.3
123.11662	17.5
125.09640	9.5
131.08501	57.8
133.10094	83.2
135.11682	15.9
143.08508	32.5
145.10098	100.0
147.11678	34.0
155.95435	8.7
157.10078	49.1
159.11646	54.1
161.13199	20.2
163.07417	9.6
165.09030	8.7
169.10028	11.6
171.11659	15.7
173.13206	30.8
175.14760	42.0
185.13193	48.0
187.14749	52.7
189.16388	14.6
199.14726	35.1
201.16322	42.8
205.15828	39.1
219.17471	16.9
229.15840	9.6
405.31619	16.2
423.32529	37.2
469.32898	16.2
494.07428	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	470.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22759	0.1
53.03902	0.2
54.81255	0.1
55.05440	0.3
56.04977	0.4
57.03371	0.2
58.99518	3.7
60.73317	0.1
67.05430	0.3
70.06508	3.5
71.04936	0.2
71.06849	0.2
72.08067	0.9
74.05975	0.2
76.02142	28.5
76.03919	1.0
77.03850	0.2
79.05429	0.2
80.04959	0.2
81.06979	1.0
83.05993	0.2
84.04426	9.1
84.08059	1.9
85.02839	0.8
85.06477	0.2
86.09626	1.1
86.98988	1.2
88.02139	0.6
91.05408	0.8
93.06976	0.3
95.04906	0.8
95.08534	0.3
100.74970	0.2
102.05487	0.4
103.05406	50.4
104.05733	0.8
105.04488	0.2
105.06977	0.3
107.04898	0.2
110.07102	0.6
114.03730	0.2
115.08708	0.2
116.01629	6.9
116.98535	0.2
119.04934	0.2
120.08034	0.3
121.10084	0.3
123.11687	0.3
127.03959	0.2
129.10199	1.1
130.04971	4.0
131.04897	100.0
131.50690	0.2
132.05197	1.5
133.02802	0.2
137.05974	0.3
141.04745	0.2
142.03198	3.3
144.01103	3.5
147.04398	0.2
161.05951	0.3
162.00807	0.3
162.02171	10.0
163.07510	14.0
170.02678	0.8
179.04817	9.7
187.05333	1.2
215.04790	0.7
233.05864	3.8
245.05852	0.7
291.06461	0.3
308.09039	14.9
309.09387	0.2
378.35007	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	1.4
55.01817	0.8
55.02100	0.7
55.05447	19.9
56.04966	1.6
57.03369	11.8
59.04910	0.9
60.04450	1.0
61.02843	1.5
64.67595	0.7
67.05416	1.5
69.03349	13.3
69.06975	3.4
70.02227	0.7
70.06503	19.6
71.01255	1.0
71.04906	65.2
71.06815	0.7
72.08061	7.8
72.23127	0.7
73.02828	3.6
75.04387	4.4
81.03318	1.8
81.06968	4.5
82.06521	3.4
83.04913	7.3
83.06051	0.9
83.08537	14.6
84.04427	7.8
84.08064	18.0
85.02824	74.1
85.06464	1.8
86.03139	1.0
86.09143	1.1
86.09632	19.0
87.04411	1.7
88.03930	1.4
91.05396	1.7
93.86472	0.7
95.04883	1.4
95.08535	1.4
97.02819	4.6
98.09637	4.1
99.04340	1.2
99.07941	0.9
100.07532	8.5
100.11185	100.0
102.05493	1.2
103.05397	1.8
105.06995	1.5
110.06009	4.7
110.07103	6.8
111.04396	14.3
112.07542	1.9
115.95692	0.8
116.07101	1.1
117.05676	1.3
117.07001	3.0
117.13865	1.3
120.08070	3.4
126.09081	1.5
127.08643	1.5
128.06223	1.1
128.07005	7.4
129.05434	11.4
129.06999	1.8
129.10210	7.1
130.06462	6.0
132.08086	5.5
135.08061	0.8
136.07468	1.0
137.05937	1.0
139.08673	5.7
140.07047	1.8
143.07275	11.2
144.08061	73.3
145.08492	0.9
147.06502	3.3
151.03882	3.8
156.08095	8.5
157.08878	4.3
158.06055	1.0
158.09619	53.2
160.07578	6.6
162.09097	19.5
167.07210	1.3
168.08025	11.7
170.09605	1.6
172.07533	1.3
174.09052	11.1
182.09657	3.7
182.15363	35.3
182.16893	1.6
184.07584	5.6
186.09108	42.0
196.07578	1.6
197.32571	0.8
198.09073	1.9
198.12624	1.0
198.14812	1.7
200.10728	1.2
204.10170	34.2
209.16452	29.1
210.09204	1.9
210.14847	29.5
214.08630	3.0
216.10103	1.4
224.10567	1.1
226.19080	9.4
227.17526	3.0
228.10178	3.8
228.15923	1.0
246.11150	1.2
254.11681	7.6
272.12778	10.6
273.77914	0.8
288.12332	3.2
290.13849	20.7
306.13330	4.5
308.14902	3.1
326.28015	7.9
336.22644	6.3
434.17972	1.2
435.33191	13.7
452.19214	1.8
453.34250	94.1
471.21112	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	470.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	1.1
55.01816	0.7
55.05448	8.1
57.03370	3.5
57.07000	0.8
60.04451	0.6
61.02835	2.9
67.05431	5.6
69.03347	5.9
69.06989	10.9
70.06506	4.5
71.04903	0.8
72.08070	1.0
79.05406	3.5
81.01411	0.7
81.03342	1.0
81.06979	18.6
83.08543	4.6
84.04462	0.9
84.08057	1.4
85.02829	23.9
86.09609	3.7
91.03891	0.6
91.05397	4.1
93.06964	4.6
95.08532	29.2
97.02814	6.3
97.06409	0.8
97.10081	0.8
99.04382	0.8
99.08033	0.7
103.05384	0.6
105.06973	5.9
107.08530	4.3
107.69684	0.6
109.02820	2.4
109.10102	9.2
117.06987	0.8
119.08517	3.5
120.08047	1.6
121.06458	88.6
121.10071	5.0
127.03852	2.8
129.06915	0.8
131.08543	3.2
133.06462	0.8
133.10114	5.0
135.08014	7.9
135.11667	0.9
139.11160	19.8
142.07707	0.7
143.08516	1.4
145.04950	1.5
145.06448	3.2
145.10110	5.3
146.07248	1.2
147.08023	44.6
147.11673	1.0
153.12682	2.8
157.10063	1.5
158.07274	6.2
159.08038	34.6
159.11667	1.1
160.08705	0.9
161.09584	71.8
169.10020	0.9
170.07230	1.4
171.08003	33.9
171.11583	1.1
172.08606	1.3
173.09586	50.4
175.11176	8.9
181.10080	1.3
184.08807	5.4
185.09586	44.5
185.13135	2.5
186.10059	0.9
187.11165	12.7
197.09540	1.3
198.10385	5.5
199.11150	33.8
200.11868	1.3
201.12732	3.1
211.11052	2.3
212.11905	3.0
213.12706	36.1
215.14272	32.6
216.14720	1.1
225.12851	1.4
226.13507	3.3
227.14265	4.1
227.17929	2.9
237.16420	0.6
240.15036	1.3
255.17380	100.0
256.17706	1.3
273.18427	75.6
274.18756	3.0
342.46365	0.7
453.34299	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86108	0.2
55.05442	0.6
56.04969	4.5
60.04449	0.7
61.01080	1.5
66.34807	0.3
67.05424	1.6
68.06852	0.3
69.03348	0.6
69.06980	0.8
70.02867	0.4
70.06507	100.0
71.04904	0.4
71.06826	0.5
72.08073	5.1
74.05986	2.4
79.05396	0.3
81.06974	0.6
82.06484	0.3
83.06020	0.7
83.51136	0.3
84.04425	13.1
84.08064	11.8
84.91109	0.6
85.02817	1.5
85.06490	0.3
86.09623	35.7
87.05503	0.4
87.09978	0.4
88.03920	2.3
91.05409	1.8
93.06969	0.6
95.04891	0.5
95.08533	4.1
98.05978	6.3
98.09644	0.5
98.97572	0.5
100.02139	0.4
100.11160	0.3
101.07078	2.2
102.05468	1.6
104.05256	2.6
105.05614	0.4
105.07010	0.5
107.08504	0.4
110.07119	4.8
112.08681	1.3
115.08656	0.7
115.41743	0.3
116.07021	0.8
116.98589	0.4
118.06496	1.5
119.01917	0.4
119.08517	1.1
120.08059	6.0
121.08397	1.8
122.07082	0.4
123.08017	1.8
126.05476	1.5
129.10193	6.0
130.04965	13.3
130.06465	0.6
130.10532	0.3
130.18375	0.3
131.06880	0.5
131.77193	0.3
136.07553	2.0
137.05965	1.3
137.07968	0.3
137.25684	0.3
140.07039	0.8
146.05994	2.1
147.06416	0.7
147.07614	15.8
149.09570	0.7
155.08199	0.4
157.40260	0.3
161.02872	0.6
162.03154	0.4
173.09352	0.4
175.08699	0.4
175.11906	0.4
183.06567	0.3
183.14886	22.3
189.12825	0.3
207.07922	0.7
207.13795	1.7
211.14372	10.1
221.05099	0.3
228.94049	0.3
233.09087	0.4
233.53488	0.4
235.10728	0.7
236.11137	0.4
243.13376	1.4
260.15970	5.2
299.11777	0.4
302.99707	0.3
307.13162	0.3
308.13931	0.3
324.22775	2.8
357.21173	5.3
410.17184	0.8
470.29587	22.9
471.18176	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05448	9.1
67.05408	11.0
69.06986	12.1
71.77098	6.0
76.56663	5.5
79.05396	11.9
81.06984	61.3
89.05943	29.1
91.05386	12.8
93.06978	63.1
95.08535	55.5
105.06969	48.0
107.08524	66.7
109.10067	12.4
119.08522	63.6
121.10074	63.0
123.08031	8.3
125.09624	8.1
125.31017	5.6
131.08528	26.7
133.10080	43.9
135.11670	28.5
138.93175	5.9
145.10086	59.8
147.11668	27.3
149.13260	7.2
157.10156	10.5
159.11659	14.0
161.13226	14.5
163.11127	27.6
163.14792	47.3
171.11676	14.9
172.97842	5.7
173.13240	23.8
175.14760	60.1
177.16306	9.3
179.14371	10.0
185.13374	6.5
187.14745	29.0
189.12701	6.3
189.16370	14.0
201.16293	100.0
205.15813	13.9
213.16310	14.2
221.15331	6.7
222.34494	6.5
227.17993	7.1
231.17352	72.2
241.19627	7.5
245.19009	13.3
247.16927	14.1
259.20541	10.9
325.82367	8.7
407.33072	52.8
424.23666	6.2
433.76987	7.5
453.33423	72.2
456.00687	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60883	0.3
53.58363	0.3
54.81501	0.4
69.80536	0.3
70.06524	0.7
74.02361	0.7
84.04467	0.4
85.01338	0.3
86.09648	0.3
88.24409	0.3
88.24940	0.3
91.05395	0.7
93.43153	0.4
110.07178	0.5
114.82842	0.4
115.05412	1.9
117.05695	0.8
117.06976	1.4
118.06490	29.9
119.06806	0.8
120.08105	0.3
123.04372	0.6
130.06468	3.5
132.08063	8.2
133.08414	0.4
142.06505	3.5
143.07332	3.5
144.04398	0.4
144.08070	20.3
145.08395	0.6
146.05988	96.3
147.06355	2.7
159.09123	7.9
160.07550	1.7
160.09532	0.4
170.05983	7.4
173.09067	0.4
188.07030	100.0
189.07332	3.6
205.09692	27.1
206.09908	1.2
210.64482	0.4
262.78461	0.5
309.14706	0.4
422.19601	0.4
471.11371	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82213	0.1
56.04957	0.2
56.59586	0.1
57.05739	0.1
58.31127	0.1
59.64941	0.1
60.04447	1.0
60.18865	0.1
62.65256	0.1
64.62186	0.1
67.05419	0.2
69.03333	0.1
69.06985	5.0
69.57317	0.1
70.06506	4.7
70.20844	0.1
72.08064	0.2
73.93449	0.1
81.06960	0.2
84.04434	0.9
84.08066	0.8
85.02813	0.1
85.06473	0.2
86.09622	100.0
87.09451	0.2
87.09951	1.8
90.97394	0.1
93.07006	0.2
95.08578	0.1
98.97508	0.2
102.05492	0.6
105.06960	0.6
105.81070	0.1
110.07109	0.1
112.03911	3.6
116.07034	5.6
119.08512	0.2
120.08059	0.8
120.08840	0.1
129.10187	0.2
130.05066	0.1
131.04889	0.1
137.06035	0.1
147.11610	0.1
167.18822	0.1
197.12785	0.2
199.18028	0.3
210.14850	0.1
215.14091	0.1
225.12294	6.7
226.12596	0.1
229.15495	0.6
243.13335	7.7
244.13712	0.1
328.22229	2.8
356.21753	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	471.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47255	0.4
50.65280	0.4
53.05809	0.4
55.05437	0.7
56.96474	0.5
57.78743	0.4
58.20617	0.5
63.78356	0.5
67.05426	0.5
69.06973	0.9
70.06511	100.0
71.06829	0.9
71.12733	0.4
72.08073	0.7
72.74092	0.4
79.05373	0.5
81.06971	2.3
84.05296	0.5
84.08035	0.6
88.07921	0.6
91.05412	0.8
93.06975	1.0
95.08541	2.4
105.06955	2.2
105.18388	0.5
107.08568	3.8
109.10107	2.0
112.08676	13.9
114.10221	1.0
119.08517	3.3
121.10080	2.5
131.08502	0.8
133.10114	1.2
135.11604	1.0
145.10129	2.1
147.11664	0.6
161.13269	1.0
171.11719	0.7
173.13171	0.8
175.14746	1.2
177.16292	0.8
187.14824	1.0
201.16341	1.2
205.15941	2.1
226.10120	0.5
229.31516	0.6
407.32901	0.9
427.30573	5.4
453.33435	0.6
471.29495	4.7
472.76535	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05437	27.3
56.96486	6.7
60.16495	6.1
60.63183	5.2
67.05444	17.1
69.06991	15.8
73.40617	5.9
79.05405	29.1
81.06965	52.3
83.08533	9.8
91.05410	27.7
92.10246	9.3
93.06959	56.3
95.08532	61.6
105.06990	58.1
107.08525	96.0
109.10119	44.6
117.06966	7.0
119.08542	100.0
121.10072	68.9
123.11607	7.8
125.09598	11.4
131.08554	35.4
133.10091	51.4
135.11607	15.1
141.80165	6.5
145.10101	66.0
147.11696	34.5
149.13199	7.3
157.10103	10.5
159.11647	64.7
161.13197	11.6
171.11609	11.8
173.13214	32.3
175.14819	26.6
187.14711	28.8
189.16394	51.9
199.14748	11.3
201.16324	84.4
203.17891	11.6
207.17136	9.3
213.16400	36.8
215.17891	13.4
219.17410	9.4
251.28117	6.8
295.40796	7.9
301.01456	8.2
301.43057	9.5
325.12726	9.6
336.84473	7.3
337.08505	8.0
389.31720	12.1
406.64594	7.5
407.32968	15.6
423.32401	8.7
435.32657	13.2
453.33350	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	471.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81637	0.4
55.05452	0.9
56.93700	0.4
67.05415	1.0
69.06990	1.0
70.06504	100.0
71.06833	2.5
71.68047	0.5
72.08092	0.5
79.05389	0.8
79.50406	0.4
81.06962	3.8
83.08535	0.9
85.69869	0.4
86.09631	0.6
91.05398	2.2
93.06976	3.6
95.08521	4.7
105.06960	5.1
107.08527	6.6
109.10089	3.1
112.08652	12.6
113.90161	0.5
114.10194	0.8
119.08519	4.9
121.10110	6.0
123.11614	0.9
131.08557	2.2
133.10088	3.5
135.11656	3.0
139.43648	0.5
145.10069	6.8
145.63864	0.6
147.11646	3.0
149.13298	1.1
159.11650	3.5
161.13286	2.4
163.11153	1.1
163.14845	0.7
171.11707	0.6
173.13231	1.6
175.14828	2.4
177.16359	2.3
185.13321	0.9
187.14804	3.4
189.16365	3.6
191.17987	0.7
192.83681	0.5
199.14964	0.7
200.24390	0.5
201.16318	4.9
203.02254	0.6
203.14546	0.7
203.17915	0.6
205.15854	5.7
218.49130	0.6
219.17465	2.1
252.91298	0.5
296.28925	0.5
359.16901	0.6
368.25787	0.7
407.33069	3.6
425.34094	2.8
427.30576	5.6
453.33530	0.6
471.29352	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	471.3466
Annotation	Glycyrrhetinate
Peak:m/z	Relative Intensity
51.06829	4.0
55.05448	22.1
57.07004	4.3
62.04117	4.2
67.05418	20.3
69.06974	21.3
69.30489	3.3
70.61947	4.1
73.12981	4.8
79.05397	15.6
81.06967	65.4
82.82870	3.7
83.08540	9.0
89.23878	3.6
91.05418	24.5
92.04564	3.9
92.10254	7.7
93.06965	49.5
95.08525	71.2
105.06974	64.3
107.08541	89.4
109.06490	5.7
109.10132	46.1
111.08048	5.2
113.65759	4.3
113.95710	4.3
117.06974	9.9
119.08524	100.0
121.10104	63.1
123.08020	4.3
123.11694	9.0
131.08536	40.9
133.10095	62.5
135.11664	40.3
137.09604	6.0
145.10080	82.1
147.11647	46.8
149.13261	20.8
150.28539	4.7
157.10097	8.3
159.11641	50.7
161.13210	36.6
163.11159	28.7
163.14774	17.1
169.10141	4.3
171.11708	8.1
173.13248	29.7
175.14767	48.1
177.16376	37.7
180.93813	4.3
185.13234	22.8
187.14781	57.0
189.16336	54.9
191.17924	6.5
199.14709	8.6
201.16336	78.7
203.14241	4.3
203.17924	16.4
205.15816	71.7
215.17897	7.8
219.17383	31.2
221.15305	4.4
369.86377	4.7
389.31955	7.1
407.33044	72.3
408.33459	8.7
411.35165	4.7
425.34116	32.6
426.34323	4.7
435.32339	7.7
453.33347	17.8
471.34686	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	471.347
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
55.05450	25.7
57.07007	16.9
57.14090	3.5
59.05423	3.7
61.82759	3.9
67.05427	24.6
67.41783	3.5
67.51501	3.7
69.06669	4.6
69.06991	41.5
71.89338	4.1
75.14474	3.7
79.05411	16.1
81.06970	46.6
83.08534	25.0
84.77465	3.7
89.05953	10.3
91.05403	10.0
93.06959	44.4
95.04958	4.4
95.08539	86.2
97.06450	4.9
97.10114	18.0
105.06974	45.5
107.08534	75.3
109.06492	5.5
109.10116	49.1
110.47155	3.8
115.07541	6.8
117.07025	4.6
119.08537	99.9
119.43322	3.7
121.10091	52.3
123.07993	5.1
123.11633	6.7
131.08537	33.3
133.10104	61.2
135.08014	6.7
135.11665	28.5
137.09561	8.0
145.10100	55.4
147.08052	6.5
147.11676	37.9
149.13243	21.5
151.14841	7.6
153.08987	7.0
155.10602	5.7
157.10089	8.2
159.11607	32.6
161.13211	25.7
163.14772	23.5
165.77069	4.8
167.10727	5.6
171.11586	4.7
173.13222	27.9
175.14769	33.4
177.16304	18.4
179.10736	9.8
181.12122	6.0
187.14766	73.1
189.16354	51.1
193.15947	5.1
199.14597	6.4
201.16283	37.9
203.17952	19.2
213.16333	5.9
215.17957	100.0
225.78546	4.9
227.17964	8.6
229.19469	47.9
233.19238	5.1
235.16913	7.0
243.17334	5.6
261.18359	42.5
275.19901	5.5
287.20117	4.5
407.32959	40.2
408.33224	4.4
425.33847	50.6
435.32394	8.8
453.33456	16.9
470.56042	4.5
471.34238	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	471.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03887	0.3
53.36527	0.2
55.05449	18.3
56.04966	0.4
56.96512	0.2
57.07009	0.2
59.41814	0.2
60.04444	0.5
67.05424	1.0
69.03332	0.3
69.06976	1.4
70.06504	6.8
72.08061	3.9
74.05985	0.4
81.06982	0.3
82.06500	2.2
83.04906	2.1
83.08535	14.9
84.04426	1.4
84.08070	4.8
85.02829	0.5
85.06461	1.2
86.09627	5.8
86.50809	0.2
91.05392	0.4
93.06935	0.2
97.06391	0.2
98.09619	2.0
100.07542	5.1
100.11182	100.0
101.05972	0.5
101.11526	1.3
102.05470	0.4
107.04881	0.2
110.05995	0.6
110.07117	2.4
111.03652	0.5
111.04387	8.3
112.07550	2.7
116.07047	0.4
117.13819	2.6
119.04910	0.2
120.08031	3.7
123.04327	0.2
126.09094	1.5
127.07536	0.5
127.08639	0.5
128.07028	5.4
129.05363	0.4
129.10172	2.2
136.07541	0.4
139.08644	1.6
140.07036	2.5
147.11649	0.4
149.13235	0.3
164.14288	0.5
166.08629	1.1
166.15880	0.5
167.07019	0.4
182.15364	26.6
183.15730	0.4
184.56163	0.2
189.05141	0.3
192.13792	1.0
193.00310	0.3
209.14413	0.4
209.16435	14.9
210.14854	28.1
211.15240	1.1
223.02434	0.2
224.14091	0.2
226.19125	2.0
227.17473	4.8
227.19453	0.3
228.15860	3.2
245.18544	3.3
309.21655	0.3
326.28021	1.9
336.22952	0.9
337.21143	1.3
343.30679	2.1
435.33118	1.1
453.34259	3.4
471.18207	2.6
471.35306	71.0
472.35544	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	471.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10967	3.1
54.13521	3.1
56.96494	6.4
58.74971	3.3
60.30451	3.5
69.06978	4.1
76.02617	3.7
81.06976	16.8
111.51080	3.3
128.53055	4.1
158.39429	4.1
163.23349	4.5
332.21561	5.6
427.79953	4.5
471.35495	100.0
472.36038	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	471.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	0.5
56.96513	0.4
57.07007	5.0
64.31445	0.3
67.05421	0.5
69.03313	0.3
69.06953	0.3
70.06129	0.6
70.06507	11.6
71.08537	3.1
72.08075	1.4
79.05388	0.4
80.29907	0.4
81.06960	0.7
84.04433	0.5
84.08048	1.6
85.02814	1.4
86.09617	2.6
88.07551	17.2
91.05379	0.6
93.06937	0.3
102.09094	3.5
103.05402	0.3
105.06938	0.5
106.08607	8.8
107.08521	0.7
110.07075	1.4
110.58958	0.3
120.08002	0.8
129.10223	0.6
135.07988	0.4
137.05954	0.6
147.66095	0.3
165.09099	0.6
200.20036	7.0
218.21104	100.0
219.21480	2.7
405.25931	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.9523
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96500	11.5
71.95177	1.1
86.65562	0.6
97.32267	0.6
98.97507	64.6
116.98562	88.3
117.98943	0.6
134.99620	80.1
140.00160	2.5
153.00676	19.9
158.01233	3.1
172.94398	2.2
183.67828	0.6
190.95311	8.1
208.96387	5.8
214.95332	1.4
217.85046	0.6
232.96370	9.9
250.97409	12.2
256.96277	8.9
274.97427	77.1
275.97638	1.2
290.94656	2.7
292.98480	100.0
293.98804	3.9
297.99045	4.8
310.99454	1.0
316.00092	4.2
348.94189	1.1
430.92416	1.5
448.93573	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	472.239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03359	0.2
60.79465	0.2
62.58817	0.2
66.46250	0.2
68.32489	0.2
69.03335	1.6
69.06982	3.5
70.06500	1.2
72.08072	0.5
73.02840	0.3
74.02348	0.2
81.03305	0.2
84.08065	2.3
85.02829	1.7
86.09625	100.0
87.04385	1.3
87.09949	1.1
95.35025	0.2
97.02827	0.5
105.06467	0.2
110.87108	0.2
115.03899	0.9
122.13402	0.3
129.10168	0.5
130.06506	0.9
130.08611	0.4
132.10167	37.4
133.04997	0.4
133.06020	0.5
136.07552	0.4
157.07623	1.0
175.08636	1.0
203.08185	0.4
221.09137	0.5
222.70078	0.3
453.27823	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1285
Annotation	Aesculetin-6-O-beta-D-apiofuranosyl-(1->6)-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
56.42595	0.1
57.03370	1.9
59.04953	0.2
60.04457	0.3
60.41347	0.1
61.57940	0.1
67.05391	0.1
69.03348	5.0
69.60340	0.1
70.06507	1.9
72.08056	0.8
73.02836	0.1
74.81693	0.1
75.04380	0.5
77.03836	0.2
81.03355	0.2
84.04411	0.6
84.08062	0.9
85.02825	4.1
86.05998	1.0
86.09633	1.4
87.04395	3.6
88.04668	0.2
89.03819	0.2
95.04902	0.2
97.02821	2.5
99.04358	0.2
101.07031	0.1
102.05437	0.1
104.07044	2.0
105.03310	0.2
109.02792	0.2
110.07105	0.3
114.44341	0.1
115.03851	1.3
116.07117	0.2
117.03335	0.2
123.04380	9.9
124.07559	0.2
127.03844	0.2
129.10216	0.3
133.02815	9.3
133.04918	0.9
134.03146	0.1
135.04393	2.1
145.04970	0.2
151.03876	4.9
170.08025	0.3
179.03354	100.0
180.03688	2.3
210.02170	0.2
341.08600	7.2
342.08792	0.2
483.12497	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00241	0.8
53.37633	0.4
55.01803	0.5
55.05448	7.3
56.04963	3.4
56.05768	0.8
56.96489	0.5
57.03373	15.0
59.04928	3.1
60.04445	1.1
61.02854	4.0
62.80480	0.5
67.05402	0.8
69.03348	39.1
69.06985	4.3
70.06149	0.7
70.06509	17.9
71.04883	0.6
71.06828	0.8
72.08072	15.2
73.02827	0.8
74.05984	3.9
75.04380	4.7
76.02147	1.0
76.56755	0.5
79.05412	0.7
81.03323	3.1
82.06516	1.1
83.06015	1.0
83.08527	2.6
84.04426	13.3
84.08066	26.6
84.08852	0.8
85.02827	32.4
85.08395	0.8
86.09630	18.0
87.03869	0.8
87.04394	25.2
91.03880	1.0
91.05400	1.0
97.02228	1.1
97.02824	26.1
97.03445	1.0
99.04369	0.7
100.07527	0.8
100.11183	12.5
101.07857	0.6
101.10841	0.8
101.11475	5.0
102.05478	4.4
103.03851	0.9
103.05387	1.3
105.06961	1.1
107.04874	0.6
109.02800	0.8
110.07110	3.9
111.04372	1.1
111.67754	0.5
112.08661	0.7
115.03878	23.2
115.05368	0.6
115.08638	1.3
116.98535	0.9
117.05707	1.1
117.06950	3.4
118.06509	1.4
120.08053	17.5
121.08379	1.3
125.84344	0.6
127.03864	3.5
128.06998	0.7
129.06996	1.0
129.10193	8.5
130.04962	0.7
130.06520	5.7
131.58125	0.5
132.08041	3.8
133.04927	13.6
133.06430	0.7
136.07541	0.9
137.05965	2.4
139.08707	0.6
141.06927	0.5
142.06465	0.6
143.07291	10.1
144.08061	100.0
145.04919	1.0
145.08383	1.2
147.25005	0.6
149.05952	0.7
150.07574	1.1
156.08049	12.2
157.08836	3.8
158.09619	64.0
160.07591	4.2
162.09106	36.1
162.10500	1.0
165.09019	2.0
166.08586	2.3
167.07170	3.4
168.08046	14.1
170.09563	3.1
172.07515	0.8
174.09096	9.4
180.08170	0.7
182.09604	3.8
182.15358	2.5
183.11250	0.8
183.15662	2.3
184.07545	12.1
184.16055	0.6
186.09100	60.8
187.09572	1.0
193.04845	1.7
194.09628	2.4
196.11134	0.8
198.09062	1.3
200.10707	1.3
204.10159	59.4
209.16449	1.1
210.09097	3.0
210.14894	1.0
210.16760	2.7
211.15147	2.3
211.17094	1.3
212.10638	2.7
214.63312	0.6
216.10132	1.3
223.63487	0.8
226.11812	0.6
228.10223	5.8
228.13669	2.3
228.63960	0.8
230.11771	1.3
234.65282	0.6
235.08498	0.6
237.14366	3.0
240.10107	2.6
246.11163	1.2
246.14857	5.8
246.64922	2.2
258.11252	1.0
270.11096	3.1
276.12231	10.3
288.12228	7.1
294.13300	17.1
306.13336	11.1
324.14383	4.5
324.63007	0.6
336.14325	0.9
348.14185	0.7
366.14984	0.7
382.24594	0.6
438.17212	3.1
455.34930	14.7
456.35056	3.7
473.23578	2.2
473.30948	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
49.99974	2.4
55.05462	41.3
57.03367	18.5
57.07007	15.1
59.55080	2.3
61.98390	2.3
67.05445	24.9
69.06992	59.9
71.08535	5.8
79.05401	17.3
81.06985	35.9
83.08535	30.6
85.06506	2.5
85.10136	2.8
91.05382	3.6
93.06976	26.1
95.08539	35.3
97.06435	4.9
97.10086	18.6
97.81819	2.6
104.48952	2.9
107.08562	14.7
109.10104	12.5
110.05788	2.4
111.07999	2.8
111.11683	4.2
114.79597	2.7
121.10082	15.2
134.59814	2.5
134.98145	83.7
135.11629	4.0
149.13272	4.6
172.95206	4.5
339.28784	42.8
361.27112	4.6
473.26199	100.0
473.34097	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	3.5
55.32980	0.3
56.04967	2.4
56.96503	0.5
60.04438	0.9
65.14474	0.4
65.63368	0.4
67.05411	0.6
69.03363	1.4
69.06985	9.3
70.02866	1.9
70.06506	25.9
71.06831	0.5
72.08067	34.4
73.03949	0.4
73.08422	0.4
74.05990	2.2
83.06008	0.7
84.04413	7.7
84.08062	12.8
85.02824	2.1
85.03934	3.6
86.09623	100.0
87.04385	0.7
87.05511	10.3
87.06001	0.7
87.09962	0.7
88.03911	4.6
93.06996	0.5
96.04453	0.6
96.08047	7.6
97.02826	0.7
98.02333	5.6
98.06005	1.0
98.09612	0.8
98.97506	0.6
101.07053	0.7
102.05486	2.8
108.08054	0.7
110.07109	7.8
110.09617	3.0
112.08649	0.8
112.11166	0.4
113.10693	3.4
113.61836	0.5
115.05020	0.9
116.07040	4.7
116.98582	0.5
119.04915	0.4
120.08034	2.3
123.04338	0.5
124.07461	0.9
127.08638	0.6
128.24327	0.5
129.06494	0.6
129.10202	7.1
130.05045	0.6
130.08672	0.5
133.06082	1.0
136.07539	0.8
137.05894	0.6
138.06636	1.0
138.09096	5.2
141.10194	28.1
143.11771	14.2
153.10184	0.6
155.11760	29.8
156.10149	0.7
157.13368	0.5
162.79187	0.5
166.08627	1.9
167.07069	2.0
167.11794	2.2
169.09682	1.7
171.11252	5.2
175.10793	1.0
179.03343	22.6
180.03720	1.8
182.12918	0.6
183.11252	15.9
187.07205	0.7
193.04922	1.8
194.12917	3.0
195.11275	2.0
197.01352	0.5
200.13905	59.7
201.12321	2.9
201.14145	0.9
211.10762	7.1
219.19872	0.6
227.80057	0.5
228.13388	31.7
229.11792	0.8
229.15529	0.9
240.13354	5.7
246.14389	6.1
256.12836	0.5
266.18698	0.7
271.17657	1.6
281.16016	1.1
282.14206	3.4
299.17075	26.0
333.30258	0.5
341.08469	0.8
358.15768	0.5
369.21448	0.9
381.21143	0.9
398.23911	6.6
436.03784	0.5
473.19769	2.3
473.27170	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81560	0.9
62.59748	0.8
64.76746	0.9
69.06962	1.2
70.06509	100.0
70.73690	0.9
71.04876	1.0
72.08064	0.9
80.53394	1.0
85.91479	1.1
93.06946	1.1
95.08514	2.1
110.92181	1.1
112.08664	13.6
114.10271	1.6
120.01123	1.1
124.70428	0.9
143.08507	1.2
159.13074	0.9
195.47238	1.1
218.88486	1.2
243.08882	1.2
281.38220	1.1
370.27499	2.2
429.32324	9.4
437.30060	1.2
473.31400	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	473.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63302	2.2
53.53869	2.1
54.81984	2.5
55.05447	13.2
57.07007	2.9
59.65736	1.8
60.05573	3.0
62.44462	1.9
62.76982	2.0
64.82799	2.2
67.05432	24.0
69.06982	24.1
69.42155	2.7
71.04904	11.0
72.43701	1.9
79.05405	16.1
80.44874	2.3
81.06982	100.0
83.08545	3.4
89.05948	14.4
91.05434	4.8
92.10928	2.7
93.06977	24.8
95.08541	45.5
95.88834	2.5
97.10086	3.4
97.43396	1.9
105.06977	15.3
107.08531	21.2
109.10110	30.4
119.08566	12.6
121.10125	26.7
123.08024	3.4
123.11687	16.5
125.05973	31.3
133.10121	4.5
135.11658	10.8
137.13255	4.8
139.07500	2.7
143.61737	2.3
149.13229	16.0
153.05441	47.0
161.13200	3.1
165.09105	2.9
179.10640	11.4
203.17757	2.5
235.13382	2.8
324.63165	2.7
462.54877	2.6
473.33765	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	473.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50909	1.4
53.00239	1.7
53.03880	1.8
54.59457	1.4
55.05444	18.4
57.07004	4.2
61.54392	1.8
65.03879	2.1
65.09101	1.4
67.05428	30.0
69.06986	34.1
73.64062	1.5
79.05405	21.1
81.06972	100.0
83.04908	3.9
83.08536	11.4
91.05403	21.8
93.06967	52.4
95.04887	7.4
95.08530	76.8
95.09152	2.7
97.06441	3.5
97.10086	2.9
101.05946	6.3
105.06966	25.8
107.08530	41.2
109.06441	19.8
109.10108	55.2
109.21176	1.6
111.11662	6.8
117.06971	2.3
119.08522	18.5
121.06517	1.5
121.10098	29.5
123.11652	21.3
125.05987	2.3
127.07504	55.9
129.05403	2.7
131.08548	10.9
133.10094	11.7
135.08060	2.9
135.11635	24.0
137.13237	9.6
143.08546	2.0
145.10106	9.2
147.11653	9.6
149.13246	27.8
155.07004	2.4
157.10127	2.0
157.35417	2.0
159.11700	10.4
161.13126	2.8
163.14798	7.7
173.13229	3.7
175.14816	1.7
177.16362	7.1
179.10648	2.2
191.14159	1.8
191.17897	3.3
205.19434	2.6
223.13269	1.9
277.17880	1.8
301.25287	2.6
311.23557	1.8
329.24640	2.7
347.25705	24.8
473.33731	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07010	1.0
57.22474	0.6
59.41041	0.6
81.06947	0.7
83.08569	0.6
93.06995	0.8
108.02645	0.7
155.26512	0.6
205.12253	1.1
238.74019	0.6
303.58905	0.6
307.45404	0.6
473.34415	100.0
474.34741	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81676	4.9
55.05446	19.0
58.55454	3.6
62.29408	4.4
65.70541	3.7
66.81446	4.4
67.05407	12.2
69.06969	25.4
70.06516	5.9
70.42252	3.7
79.05407	18.1
81.06958	38.7
83.08529	10.7
91.05401	11.1
93.06940	42.9
95.08517	71.5
105.06969	33.6
107.08514	74.6
109.10124	39.8
119.08508	61.7
121.10071	50.7
123.11633	10.2
124.11285	4.6
130.90231	4.6
131.08501	6.8
133.10072	57.5
135.11639	33.1
145.10078	24.7
147.11667	44.7
149.13171	21.0
159.11612	20.1
161.13197	11.5
163.11148	26.1
163.14769	24.5
172.39461	5.2
173.13254	8.3
175.14758	36.0
177.16354	44.7
184.72383	5.0
185.13165	5.4
187.14738	31.2
189.16336	87.5
191.17943	7.4
201.16306	10.4
203.17909	100.0
205.15889	61.1
207.17424	23.9
213.53748	5.4
249.18407	7.1
409.34540	95.4
410.34708	8.3
427.35663	7.1
437.33969	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	473.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06729	0.9
52.82515	1.1
55.05450	10.7
56.96486	1.2
57.03352	1.3
57.07009	4.4
59.04884	1.2
61.02852	1.1
64.96658	1.0
67.05422	15.7
68.89998	1.0
69.06642	1.7
69.06985	21.2
71.08555	1.7
74.03699	1.1
75.72139	1.1
79.05398	10.6
81.06967	31.1
83.08537	9.5
86.09634	1.5
91.05392	15.2
93.06966	32.1
95.08527	71.6
97.10101	4.6
105.06961	40.1
107.08534	63.5
109.10096	37.8
111.08062	1.4
115.05435	1.2
116.46400	1.2
116.50601	1.1
117.06984	1.9
119.08531	51.8
120.08850	1.2
121.10090	52.2
123.11627	8.9
125.09659	1.3
126.50083	1.3
131.08484	8.7
133.10092	52.4
135.08060	1.9
135.11653	33.3
137.09610	1.8
137.13152	2.0
143.08498	1.9
145.10092	25.1
147.11659	46.1
149.09612	1.6
149.13229	23.7
151.11209	1.6
153.09065	2.9
154.94136	6.3
157.10100	1.6
159.11681	19.9
160.12393	1.8
161.13200	24.9
163.11116	16.8
163.14766	22.5
165.09126	1.8
167.10678	1.8
171.11731	1.6
172.95192	22.7
173.13251	6.6
174.98569	1.7
175.14778	32.3
177.12665	2.6
177.16325	39.6
184.07368	1.8
186.14159	1.1
187.14783	22.0
188.66692	1.3
189.16331	76.3
190.16824	1.8
190.96242	29.4
191.17914	11.6
201.16331	17.4
203.17909	100.0
204.18129	1.4
205.15836	44.6
205.19479	5.0
207.17372	24.1
210.96805	4.2
213.00102	1.5
213.16443	1.4
214.96651	1.4
215.17917	8.0
217.19505	2.0
219.17389	2.2
221.19016	2.6
227.17967	1.5
228.97850	11.4
229.19461	1.9
231.17421	2.9
249.18428	6.7
257.00946	1.3
319.19504	1.6
337.20419	8.1
381.35339	1.5
391.33536	5.2
409.34570	78.8
410.34799	6.4
427.35556	5.2
437.34024	17.4
455.35016	1.6
473.19803	20.4
474.19913	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	473.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06729	0.9
52.82515	1.1
55.05450	10.7
56.96486	1.2
57.03352	1.3
57.07009	4.4
59.04884	1.2
61.02852	1.1
64.96658	1.0
67.05422	15.7
68.89998	1.0
69.06642	1.7
69.06985	21.2
71.08555	1.7
74.03699	1.1
75.72139	1.1
79.05398	10.6
81.06967	31.1
83.08537	9.5
86.09634	1.5
91.05392	15.2
93.06966	32.1
95.08527	71.6
97.10101	4.6
105.06961	40.1
107.08534	63.5
109.10096	37.8
111.08062	1.4
115.05435	1.2
116.46400	1.2
116.50601	1.1
117.06984	1.9
119.08531	51.8
120.08850	1.2
121.10090	52.2
123.11627	8.9
125.09659	1.3
126.50083	1.3
131.08484	8.7
133.10092	52.4
135.08060	1.9
135.11653	33.3
137.09610	1.8
137.13152	2.0
143.08498	1.9
145.10092	25.1
147.11659	46.1
149.09612	1.6
149.13229	23.7
151.11209	1.6
153.09065	2.9
154.94136	6.3
157.10100	1.6
159.11681	19.9
160.12393	1.8
161.13200	24.9
163.11116	16.8
163.14766	22.5
165.09126	1.8
167.10678	1.8
171.11731	1.6
172.95192	22.7
173.13251	6.6
174.98569	1.7
175.14778	32.3
177.12665	2.6
177.16325	39.6
184.07368	1.8
186.14159	1.1
187.14783	22.0
188.66692	1.3
189.16331	76.3
190.16824	1.8
190.96242	29.4
191.17914	11.6
201.16331	17.4
203.17909	100.0
204.18129	1.4
205.15836	44.6
205.19479	5.0
207.17372	24.1
210.96805	4.2
213.00102	1.5
213.16443	1.4
214.96651	1.4
215.17917	8.0
217.19505	2.0
219.17389	2.2
221.19016	2.6
227.17967	1.5
228.97850	11.4
229.19461	1.9
231.17421	2.9
249.18428	6.7
257.00946	1.3
319.19504	1.6
337.20419	8.1
381.35339	1.5
391.33536	5.2
409.34570	78.8
410.34799	6.4
427.35556	5.2
437.34024	17.4
455.35016	1.6
473.19803	20.4
474.19913	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	474.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82264	0.7
53.37509	0.7
54.81342	1.0
56.40307	0.7
69.03330	1.1
70.06501	1.4
72.08052	1.9
83.01949	0.9
84.04404	1.1
84.08053	2.1
85.02806	3.2
86.09639	6.8
100.50845	0.9
111.05502	5.5
118.11975	0.8
120.04420	5.1
120.08051	1.0
126.06593	1.9
129.10266	1.1
130.06468	1.1
132.04411	45.2
134.05954	6.8
137.04677	2.0
146.05902	1.3
151.06128	18.2
194.06718	6.8
195.07518	0.9
201.12202	0.9
202.09724	3.2
232.10597	1.0
242.09164	7.5
257.10217	8.2
259.11804	15.9
284.11240	3.5
295.45401	0.9
302.12415	25.9
310.91879	0.9
327.11862	4.9
345.12985	100.0
346.13095	5.4
360.99234	0.9
364.16287	1.0
371.47205	0.9
463.82736	0.9
474.17117	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	474.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93759	0.2
58.37925	0.2
59.53440	0.2
60.67282	0.2
69.03342	0.3
69.06603	0.3
69.06983	6.9
85.02827	1.1
86.09624	100.0
87.09956	1.2
97.02835	0.4
113.11755	0.2
127.03885	0.7
132.10164	34.3
133.10526	0.3
135.86163	0.2
144.73402	0.2
145.04887	0.2
254.29060	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03341	0.4
69.06982	4.6
79.18098	0.2
85.02824	1.0
86.09621	100.0
87.09955	1.2
97.02832	0.3
127.03877	1.1
132.10161	37.7
133.10503	0.3
268.36938	0.2
360.04471	0.2
407.29858	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25932	0.7
55.05442	5.4
56.04956	3.7
57.05757	0.7
59.06035	0.7
60.04446	1.0
64.33807	0.6
68.97217	0.6
69.03341	0.9
69.06981	11.2
70.02873	0.7
70.06140	1.0
70.06503	24.1
71.06805	0.9
72.08063	64.4
73.08386	0.9
74.05981	2.8
79.76263	0.6
81.03280	0.8
83.06023	0.8
84.04416	10.8
84.08065	20.3
85.02811	2.7
85.03935	1.5
86.09621	100.0
87.05505	3.1
87.09924	2.6
88.03905	16.0
96.08051	5.9
97.02817	1.3
98.02375	4.7
98.05981	0.8
100.07517	0.6
101.07052	1.0
102.05471	2.5
110.07109	6.9
110.09624	1.1
112.08667	0.7
113.10701	1.3
114.09080	0.7
115.05006	1.0
115.08612	0.9
116.06992	1.3
120.08033	3.7
127.03999	0.6
129.06514	0.8
129.10187	13.3
130.04929	0.8
130.10527	0.6
131.04852	1.5
131.44501	0.7
133.06027	3.2
136.07547	1.3
137.05898	1.2
138.09084	4.1
141.06520	2.6
141.10190	17.8
141.11253	0.8
142.08594	2.9
143.11769	25.2
154.04939	0.9
155.11789	6.7
156.10165	22.4
159.07622	0.8
166.08585	1.6
167.06967	3.1
167.11757	0.9
171.11227	8.6
175.10667	4.5
179.03314	2.7
180.03615	1.0
183.11240	9.1
184.09612	3.6
184.11421	0.9
187.07115	0.9
200.13898	7.3
201.12302	97.3
202.12624	1.2
211.10756	0.8
228.13373	3.7
229.11787	32.8
229.13663	1.6
246.14410	4.8
288.81143	0.7
299.17001	2.8
300.15408	30.9
332.07800	0.7
371.22769	1.5
399.22208	5.6
474.21024	0.8
474.27521	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22771	2.1
53.03873	2.7
55.05442	21.2
67.05422	29.2
69.06644	3.7
69.06981	52.7
75.26067	3.5
79.05394	16.1
81.06967	100.0
83.08522	3.7
84.86269	2.6
89.79169	2.5
91.05386	11.5
93.06963	34.0
95.04900	4.2
95.08525	60.4
95.81728	2.5
100.31126	2.6
105.06969	20.7
107.08529	34.7
109.06503	3.4
109.10088	43.0
119.08492	14.9
121.10096	16.0
121.23081	2.5
122.18075	2.6
123.11623	11.6
129.33821	2.6
133.10085	12.0
135.11638	17.3
137.05954	12.9
139.07491	6.6
145.10136	2.8
147.11633	10.7
149.05956	3.1
149.09544	4.8
149.13216	19.8
157.76656	2.5
159.11659	3.8
161.13167	4.5
163.11189	3.5
163.14780	3.5
165.09093	43.7
167.07025	13.4
177.09053	15.0
187.11159	3.0
189.09138	4.1
191.17935	3.9
203.10588	3.5
205.12221	20.2
208.67632	2.9
217.12155	10.3
301.17795	4.8
323.12088	2.8
364.71634	2.7
421.30725	3.6
439.31894	5.6
475.32004	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	474.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05440	12.0
57.03323	6.4
57.05463	5.5
62.53642	5.4
67.05414	33.4
69.06960	11.8
72.90784	6.0
79.05389	26.9
81.06984	71.1
83.03998	6.3
83.22836	6.3
91.05408	12.7
91.77757	6.2
93.06963	48.8
95.04907	8.7
95.08528	51.2
105.06967	36.0
107.08522	45.6
109.10097	37.8
119.08521	34.3
121.10073	12.1
133.10114	11.0
135.07986	7.9
135.11626	34.0
137.09584	12.4
147.11632	13.0
149.09544	9.0
155.99310	6.1
161.13213	7.6
165.09073	100.0
205.12184	14.5
231.13776	8.0
371.96945	7.2
474.34045	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	474.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93030	0.6
55.05454	2.6
57.03370	8.0
57.07013	11.3
58.06533	53.7
59.07312	19.0
59.89320	0.7
60.08094	14.0
64.27578	0.6
64.32929	0.6
67.05412	3.2
69.06982	3.2
71.08543	7.7
71.63508	0.6
75.04393	5.3
78.11652	0.6
81.06965	3.9
83.08550	1.5
85.02830	2.8
85.10104	3.2
87.04383	5.9
93.07014	0.8
95.08537	4.5
109.10152	1.2
113.05971	0.6
125.58854	0.6
131.07033	2.4
134.54358	0.6
144.10187	8.4
162.11183	1.5
165.09181	1.5
172.63416	0.7
185.69247	0.7
205.12300	0.8
218.13860	0.8
236.14864	100.0
237.15219	2.8
313.27280	0.9
456.36752	15.3
474.37805	74.1
475.38083	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	475.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05458	5.5
56.86457	5.6
60.10563	4.9
64.96163	5.5
66.55917	5.9
70.06491	8.9
79.27473	5.5
84.04443	5.2
91.05419	10.5
98.97508	8.8
99.80618	5.5
107.08573	8.4
117.07001	11.5
121.06413	6.7
123.04377	6.2
131.04842	7.2
131.08516	8.1
133.10112	6.7
134.99619	6.0
145.06445	6.7
147.04390	73.6
149.05986	23.0
151.07468	6.6
159.08009	22.1
160.05167	10.9
161.05992	24.6
161.09543	8.7
163.07549	14.3
173.05963	14.6
174.06647	8.8
175.03854	27.4
175.07477	77.2
176.04720	11.6
177.05455	28.8
177.09053	47.1
187.07545	13.0
189.05428	26.7
189.09103	23.2
190.09814	48.3
191.10507	7.6
203.07005	23.1
205.08434	19.6
218.09329	9.0
219.10162	9.0
228.34198	6.0
263.06989	8.1
294.05243	6.3
309.07562	39.1
335.12732	8.7
337.07028	75.2
347.01794	7.8
355.07886	12.9
365.13797	44.7
367.15359	10.3
393.13220	100.0
411.14493	29.5
429.16397	7.2
439.13788	92.4
442.40213	6.6
457.14755	81.4
475.15680	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01799	8.1
55.05439	6.6
56.00810	1.4
65.03864	3.1
67.05417	2.9
68.96520	1.4
69.06948	2.7
74.70574	1.4
79.05383	3.9
80.68364	1.5
83.04887	2.9
91.05002	1.3
91.05401	20.7
93.06963	20.2
95.04888	6.7
95.08503	6.6
103.05392	16.0
105.06964	3.6
107.04848	2.8
107.08527	2.1
109.10036	1.7
111.04358	3.4
113.05971	2.4
116.98557	1.9
117.06959	3.1
119.04887	2.9
121.06443	31.5
121.10066	2.5
123.04360	3.7
125.05941	7.5
134.03534	6.8
135.04309	2.2
137.05948	6.9
138.06743	2.2
139.03879	8.2
139.29034	1.6
145.06480	6.2
146.07214	1.9
148.05069	2.4
149.05952	32.4
149.09499	2.1
151.03905	3.5
153.05380	9.2
153.09111	12.9
154.06200	37.3
155.06912	2.2
161.09596	1.8
163.07469	2.2
166.06195	9.5
167.06958	12.3
175.54103	1.8
177.05415	23.2
177.09038	2.6
179.06978	21.8
181.04959	23.9
181.08543	100.0
182.05634	2.7
182.09052	2.3
189.09042	2.1
189.76817	1.5
190.34738	1.6
193.08499	2.8
205.08469	3.5
209.08049	67.7
210.08806	32.3
233.08028	2.5
265.10602	39.0
293.13757	2.5
386.37207	2.3
482.59952	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53004	0.1
52.86481	0.1
60.52726	0.1
62.98057	0.1
69.03339	0.2
69.06983	0.1
70.06506	2.5
72.08070	1.8
77.72806	0.1
79.61166	0.1
84.04414	0.6
84.08059	0.9
85.02819	0.2
86.09625	1.8
86.29375	0.1
88.03895	0.2
92.10233	0.2
102.05464	0.3
110.07113	0.2
112.08678	0.1
129.06569	0.1
129.10214	0.2
155.07851	0.1
177.05330	0.2
183.19522	0.1
184.21564	0.1
213.08693	0.1
215.14067	0.1
249.15678	100.0
250.16008	3.6
269.61774	0.2
317.49118	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	475.3779
Annotation	Chichipegenin
Peak:m/z	Relative Intensity
51.10952	6.3
55.01800	5.4
55.05446	14.9
62.23144	6.3
67.05441	54.1
69.06983	12.2
79.05402	54.4
81.06982	100.0
91.05405	14.6
93.06962	58.4
94.95229	6.8
95.04881	9.3
95.08527	47.9
97.06464	10.1
105.06967	10.3
107.08519	26.7
109.06465	27.9
109.10081	12.0
119.08527	15.1
121.10046	25.2
123.08027	9.0
131.08398	8.1
133.10106	10.0
135.11627	13.7
146.22023	6.1
170.24919	6.4
173.67099	7.0
185.22929	6.8
204.34103	8.3
222.83543	6.2
357.28027	6.8
379.97437	7.3
439.35532	11.9
457.36569	43.8
475.32529	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03864	4.0
55.05437	22.5
57.03378	2.6
57.06998	3.2
64.83549	3.2
67.05415	39.0
69.06983	39.4
79.05401	39.6
81.06969	100.0
82.07294	6.3
83.08501	7.9
91.05390	22.2
93.06959	39.3
94.07304	5.5
95.04881	7.3
95.08514	41.6
97.06464	4.5
104.06164	3.1
105.06966	16.2
107.04880	5.0
107.08519	14.9
109.06461	23.0
109.10107	19.0
115.15573	3.1
115.30637	3.8
115.80662	3.3
119.08516	13.7
121.10092	15.7
123.11635	4.9
131.08543	3.8
133.10075	14.4
135.11644	7.7
165.09079	18.3
172.63478	3.7
175.33089	3.6
196.45801	3.3
205.12166	6.5
366.17328	3.3
396.44388	3.8
404.31265	4.1
439.35635	12.3
457.36606	15.2
475.32477	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3779
Annotation	Chichipegenin
Peak:m/z	Relative Intensity
53.06792	3.6
54.54648	3.5
54.81538	3.8
55.01811	3.4
55.05442	25.2
57.03159	3.2
57.03371	45.5
61.54965	3.6
67.05428	78.6
69.06972	8.3
79.05402	24.1
81.06974	49.0
85.03141	3.8
85.06451	44.7
91.05398	18.2
92.10331	6.2
93.06986	33.6
95.04891	71.0
95.08530	38.0
97.06467	4.9
99.43467	4.4
105.06951	24.7
106.35741	4.3
107.04874	6.6
107.08548	16.8
109.06471	20.5
109.10120	17.8
113.05957	100.0
117.06981	4.9
119.08533	7.6
121.06484	4.2
121.10075	17.9
123.05956	4.2
133.10173	6.3
135.08015	6.4
135.11613	9.7
143.08521	5.4
144.82315	3.9
145.10068	7.1
351.40247	4.5
416.83020	4.6
439.35764	39.1
457.36786	29.3
475.32043	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	476.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03886	10.0
55.05442	2.5
56.04965	2.4
56.96495	1.5
57.03362	5.2
60.04451	4.6
61.02850	4.8
65.29266	1.0
67.05423	1.6
69.03349	20.5
69.06999	1.6
70.06511	33.0
70.92751	1.0
71.04906	8.0
72.08070	15.2
73.02827	6.7
76.02117	1.1
81.03336	22.4
81.06973	2.2
82.83843	1.2
84.04425	6.5
84.08055	20.0
85.02827	78.0
86.09628	17.8
87.04404	2.2
88.03928	1.9
95.08534	1.2
97.02823	48.3
98.97506	4.6
99.04386	58.6
102.05482	1.9
103.03878	70.4
103.05412	6.9
105.06990	1.9
107.04929	1.9
109.02831	24.8
110.07109	7.3
115.03845	1.3
116.98548	2.1
119.04879	1.4
120.08070	7.8
121.02787	1.5
123.04431	1.5
127.03876	100.0
129.10231	8.5
131.04897	9.5
131.46974	1.1
134.99554	2.4
137.05942	2.3
137.09686	1.1
137.52243	1.2
145.04927	29.4
148.05182	1.6
153.05418	1.3
159.09232	1.5
163.05992	16.4
163.07329	2.0
167.07129	1.7
175.07579	1.2
177.00641	1.4
237.02788	2.4
271.08102	2.6
289.09149	1.5
332.03305	1.3
415.19739	2.0
416.20172	1.5
475.32361	5.1
476.32864	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51252	0.1
55.01770	0.1
57.03356	0.3
69.03335	0.7
69.06985	0.1
70.06505	1.7
71.06834	0.3
72.08048	0.9
73.03486	0.1
78.04579	0.2
79.05376	0.5
81.03285	0.2
84.04392	0.9
84.08051	1.7
85.02821	1.1
86.09625	2.1
88.03899	0.2
91.05353	0.7
91.05873	0.1
92.30003	0.1
95.04853	0.2
97.02799	0.2
102.05472	0.2
103.05432	0.2
107.04205	0.3
107.04898	8.2
110.07080	0.8
119.04858	0.2
120.08014	0.6
129.10152	0.6
130.10530	0.1
133.02794	0.2
133.52641	0.1
134.03561	0.7
135.04369	3.3
137.05899	0.3
145.02814	0.1
145.03943	0.5
149.02304	0.2
154.96490	0.1
162.03070	6.0
163.03857	9.0
167.06964	0.6
178.02502	0.2
179.03348	2.2
179.07056	0.2
180.04097	0.7
190.02557	16.3
191.03239	1.1
193.01242	0.3
194.02016	0.9
195.06451	1.5
201.12263	0.1
207.02850	4.0
208.03619	13.8
209.03940	0.5
223.05960	100.0
224.06300	2.9
249.07573	0.2
289.55673	0.1
297.09610	40.1
298.10022	1.1
355.44174	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00245	2.7
53.03894	1.0
55.01819	1.6
55.05437	0.9
56.31941	0.6
56.96502	0.9
57.03375	37.0
59.04948	8.0
60.04454	4.1
61.02845	2.7
67.05423	1.3
69.03351	100.0
70.06498	7.6
72.08057	2.8
73.02830	1.3
73.08365	0.6
75.04388	11.1
79.05421	1.4
81.03335	3.6
81.06966	0.9
83.04906	4.3
84.04437	1.6
84.08072	3.3
85.02830	71.7
86.09643	5.9
87.04394	52.0
91.05401	3.2
92.11020	0.7
93.06982	1.2
94.63194	0.7
95.04880	1.1
97.02823	62.1
98.05975	0.9
99.04389	1.4
103.05436	1.5
104.34829	0.7
105.06973	18.1
109.02818	2.6
109.06413	0.8
110.07113	1.4
111.04371	1.2
115.03882	55.6
117.06958	0.8
119.08521	1.6
120.08096	2.6
122.03664	0.9
123.04428	0.8
127.03894	4.3
129.10214	2.7
131.04889	3.4
133.04936	48.2
133.06471	24.0
134.99628	0.9
137.05952	29.0
144.06531	1.3
145.04945	3.6
145.06487	2.6
147.08029	1.1
150.07599	6.8
151.03908	1.1
165.09082	32.7
174.06711	1.0
177.09088	3.2
189.09082	3.8
192.13301	0.7
201.09123	1.4
207.10149	4.4
207.79364	0.8
241.06938	1.0
259.08011	1.1
261.11130	0.8
278.34308	0.8
295.10425	1.0
299.19894	0.7
475.32382	3.9
476.32550	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63361	0.4
56.96501	18.0
70.06507	0.6
74.05987	0.4
75.23092	0.4
83.06004	0.4
83.34504	0.4
84.04446	0.6
84.08070	0.7
84.95951	2.9
84.96443	0.4
86.09633	0.5
86.34412	0.4
89.49215	0.4
92.10201	0.8
93.06978	0.6
98.97512	11.2
102.97024	0.5
111.08051	0.4
112.99100	0.6
115.00628	0.6
116.98564	19.8
116.99387	0.8
121.10108	0.7
121.87298	0.4
131.00146	4.3
133.01698	0.5
134.99619	20.1
137.05901	0.4
146.99667	0.7
149.01198	4.0
153.00690	4.9
158.01288	0.8
161.04842	2.2
167.02313	0.7
175.02821	0.6
179.05894	0.7
185.04747	0.5
189.04311	0.9
265.11212	0.8
272.77606	0.4
277.11096	0.9
299.13284	0.6
301.11334	0.6
301.14731	2.6
303.12582	1.0
305.14282	1.0
307.12152	1.0
311.13065	0.9
313.14642	2.1
315.12640	0.6
319.15811	4.6
325.13251	0.8
327.12619	0.8
329.13962	2.0
331.15771	6.9
337.16782	0.7
339.16113	0.5
343.15720	0.6
345.13593	0.5
345.17465	1.8
345.49228	0.5
347.15207	3.1
349.16864	5.0
351.18466	0.7
357.17285	3.3
357.21533	0.4
358.17484	0.6
358.27017	0.4
363.18326	3.5
367.17651	0.7
369.19360	0.6
375.18323	12.3
393.19373	15.8
407.11072	0.6
411.20428	17.9
412.20660	0.9
417.19571	0.8
429.21530	19.5
430.22083	0.6
434.22177	0.6
435.20358	20.1
435.26096	0.8
436.20621	0.8
452.23480	0.6
453.21490	100.0
454.21695	6.8
471.22583	21.8
472.22839	1.8
475.32574	0.7
476.23099	8.7
477.23740	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96513	0.7
57.03347	1.4
59.06039	1.0
60.05578	7.2
62.06020	50.9
64.30463	0.7
68.08079	0.8
69.03344	5.9
83.04884	2.0
85.02834	0.9
91.05403	6.3
92.10263	2.3
103.31248	0.7
105.06966	1.7
107.08538	20.6
111.04393	1.2
112.67017	0.8
117.06958	1.2
119.08540	100.0
119.65062	1.0
120.08845	2.0
123.28575	0.8
129.05446	0.8
133.06496	0.9
135.08023	15.0
153.28102	0.8
161.09648	1.2
183.87338	1.0
227.57823	0.8
281.13678	1.5
320.84308	0.9
336.20468	1.1
353.15765	1.1
395.16806	3.4
397.68402	0.8
415.20947	4.8
426.56689	0.8
467.85214	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40667	0.7
55.05450	2.0
57.03373	3.5
57.07009	20.3
58.59537	0.9
63.98615	0.9
67.05437	5.6
69.06995	1.9
70.43299	1.0
71.08545	15.0
80.56144	0.8
81.06992	5.4
83.08546	3.8
85.10116	6.5
95.08554	7.9
97.10074	1.1
109.10087	1.9
114.63397	1.0
115.46963	1.1
120.96591	20.8
145.99736	4.1
154.94112	3.3
172.95213	12.2
176.99263	4.9
188.57803	0.9
190.96223	9.5
195.00262	16.1
228.97830	2.0
246.98793	1.0
259.11343	1.0
313.27286	44.3
314.27689	1.9
340.22260	1.3
353.26645	5.2
415.22119	24.0
433.23154	100.0
434.23526	3.6
458.39914	4.2
476.21722	3.6
476.27380	49.9
477.27646	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00241	0.9
53.03878	2.1
55.01805	0.4
55.05450	17.2
57.03102	0.6
57.03371	14.7
57.07001	2.1
62.06001	0.7
64.33936	0.5
65.03867	2.0
67.05424	51.2
67.14960	0.4
67.35559	0.4
69.03376	0.4
69.06987	12.4
71.04885	0.6
74.29163	0.4
79.05403	26.9
79.44427	0.4
81.06969	43.1
83.04892	2.1
83.08527	5.2
85.06460	0.7
91.05395	13.4
93.06361	0.8
93.06965	32.4
95.04897	4.4
95.08528	33.8
97.06473	1.2
97.10097	0.5
98.98386	0.9
105.06959	7.9
106.01360	0.5
107.08530	12.9
109.06478	1.1
109.10107	10.3
111.07956	0.6
112.79121	0.5
117.06958	2.4
119.08521	5.5
121.10094	7.9
123.08012	1.0
123.11649	2.9
124.01555	0.7
131.08533	3.2
133.10081	3.2
135.11671	4.4
145.10101	2.2
147.11661	1.1
149.13246	0.7
159.11699	0.7
161.13161	0.5
172.95207	0.5
173.13177	0.6
216.06378	0.5
261.22015	0.7
304.26318	1.7
335.25723	100.0
336.26044	3.2
409.27121	0.5
440.31161	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66492	6.2
55.05439	31.3
62.06004	59.0
67.05424	58.0
69.03342	7.9
69.06972	13.0
79.05396	42.6
81.06953	47.7
86.09600	13.5
91.05392	16.9
93.06971	55.3
95.08517	36.2
97.06413	9.8
105.06947	10.8
107.08524	41.2
110.54533	7.4
118.15500	9.4
119.08527	77.6
121.10076	8.9
124.93682	13.2
126.00616	7.5
131.08437	7.9
135.08096	7.5
153.52975	7.7
161.29985	7.9
172.95180	12.2
184.07364	16.4
282.42847	7.9
304.26154	9.0
335.25665	100.0
421.06326	9.6
476.31915	13.0
477.19345	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	476.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53093	0.7
67.05417	3.2
67.90913	0.6
68.17851	0.7
70.95575	0.7
79.47939	0.8
81.06969	3.7
82.15067	0.7
85.43353	0.7
85.78995	0.7
89.76884	0.7
92.10318	1.4
93.06961	3.4
95.08530	1.9
105.06948	1.0
107.08515	1.3
109.10117	8.4
113.80097	0.9
114.37912	0.9
117.69099	0.8
119.08517	3.0
122.07196	0.8
123.11655	1.0
133.10091	1.4
135.11656	1.5
137.09590	11.9
149.13223	0.9
165.09082	100.0
166.09398	1.5
179.10583	1.2
205.12234	5.6
223.37535	0.8
306.28067	0.8
365.29269	0.9
441.33698	0.8
460.61478	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68534	1.2
56.96495	21.0
70.62425	1.4
81.06896	2.0
84.10200	1.6
98.28034	1.7
98.97510	38.5
116.98569	65.6
119.57455	1.6
134.99615	75.0
153.00694	18.3
158.01218	2.9
228.68259	1.8
328.38614	1.8
333.17035	1.9
357.17169	10.1
375.18301	6.9
393.19440	6.9
417.19324	8.8
431.16660	7.1
435.20444	100.0
436.20819	8.6
453.21539	20.0
458.21832	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	477.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78708	1.4
56.96510	15.4
60.58445	1.3
62.95359	1.2
64.18943	1.3
64.70162	1.4
74.82911	1.5
79.05396	1.4
90.18827	1.5
95.08516	2.1
98.97506	11.0
98.99609	1.7
105.06965	6.9
106.59464	1.4
113.32401	1.4
116.98563	18.7
119.08507	6.6
128.53745	1.5
131.08501	2.1
133.10106	2.0
134.99635	18.4
153.00685	1.6
173.04778	1.5
259.10364	2.0
261.11554	2.2
279.12500	6.4
313.14725	3.2
331.15561	3.0
339.16122	2.4
357.17010	11.3
375.18271	14.2
393.19385	21.3
395.14688	2.0
399.18433	8.1
411.20590	22.1
417.19272	31.8
431.16730	7.8
435.20453	100.0
436.21127	11.8
453.21567	24.6
458.22061	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	477.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81424	0.6
55.05443	1.0
55.09756	0.5
57.07012	11.2
69.06958	0.9
71.43903	0.6
91.05403	1.4
93.06963	1.4
105.06957	10.2
107.08540	3.5
119.08527	14.8
121.06451	3.5
121.10091	30.5
127.68086	0.7
133.06432	1.2
133.10098	17.6
145.10088	1.1
147.07986	1.2
147.11658	31.6
148.12032	0.9
151.11137	0.8
157.10104	1.8
160.08821	1.4
163.11182	1.4
172.95239	1.3
175.11157	16.9
177.12651	1.0
190.96233	1.4
226.97005	0.8
283.16852	100.0
284.17169	4.8
339.23114	61.9
340.23407	1.1
435.13074	0.8
473.62222	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3935
Annotation	Hopane-6Beta,11Alpha,22,27-Tetraol
Peak:m/z	Relative Intensity
51.12544	6.1
55.01827	9.9
55.05453	70.7
60.50171	6.8
67.05424	94.9
69.06973	35.0
79.05400	75.4
80.56989	7.8
81.06966	100.0
82.15856	6.8
83.08536	39.0
91.05400	44.9
92.10186	15.6
93.06946	81.9
95.04881	10.6
95.08514	90.0
97.06441	30.7
97.10090	6.9
99.83818	6.3
105.06969	48.3
107.08543	35.3
108.60465	7.1
109.10087	30.7
119.08537	47.1
121.10091	41.5
123.08051	9.4
131.08485	9.5
133.10115	30.0
135.11708	10.3
145.10123	17.9
161.13147	12.7
277.11816	7.7
392.85123	8.5
423.36044	27.8
441.37219	79.0
459.38120	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	41.0
56.61163	3.8
57.03362	4.5
63.84505	4.4
67.05428	82.3
69.06989	31.2
75.42491	3.6
79.05400	63.8
81.03334	3.9
81.06969	100.0
83.04888	6.2
83.08540	18.4
91.05398	35.6
93.06971	58.8
95.04913	5.7
95.08520	74.9
97.06455	26.8
97.10099	4.3
105.06936	30.2
107.08528	46.7
109.10129	32.7
111.08006	6.9
117.06940	5.6
119.08515	27.8
121.10076	41.8
123.08028	5.5
123.11651	8.8
131.08554	10.3
133.10062	9.9
135.11621	25.4
145.10110	6.5
147.11664	8.7
159.11668	6.2
161.13286	6.5
347.29248	17.8
357.07700	4.6
361.30838	29.6
441.37045	24.4
459.38110	7.9
477.33545	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	478.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39337	0.7
52.67506	0.7
55.01810	39.3
55.05443	4.6
55.66956	1.0
56.04966	2.1
56.96485	1.7
57.03395	1.3
57.27337	0.9
59.58403	0.8
66.85809	0.9
67.04636	0.8
69.03329	4.2
69.06985	2.0
70.06503	34.4
71.04929	0.9
72.08071	13.3
74.05997	1.4
74.34792	1.0
76.02142	2.0
79.05409	2.0
80.40104	0.8
81.03333	1.7
81.06964	4.5
84.04417	7.3
84.08060	20.4
85.02831	5.7
86.09623	19.8
89.70094	1.0
91.05394	6.2
93.06955	1.9
94.04113	2.2
95.04898	1.4
95.08542	1.3
97.02857	1.6
102.05538	1.5
103.05411	5.8
105.06978	4.1
107.04861	2.0
109.06464	5.5
110.07110	8.8
115.05367	1.7
117.06948	1.4
119.04908	1.8
120.08049	12.7
121.06417	1.7
122.03538	7.6
123.04363	3.6
129.06949	2.0
129.10158	9.2
131.04919	7.6
133.02823	1.2
136.07579	1.4
137.05942	100.0
138.06320	1.2
143.04895	1.1
145.06442	2.2
147.04358	4.0
149.05981	5.2
151.03859	4.6
151.07532	1.6
155.19193	0.9
157.01588	1.1
157.06487	1.4
159.04393	6.6
159.09233	1.2
161.05931	10.9
163.07507	2.3
167.01526	1.6
167.07007	6.5
169.03085	1.5
175.07489	3.3
176.04677	1.6
177.05434	9.3
177.09053	1.7
181.06400	1.2
187.07518	4.1
188.04794	1.6
191.06943	13.6
191.08459	1.6
193.08513	2.1
195.08093	1.0
196.14465	0.9
197.01268	1.1
203.06990	5.8
205.06483	1.2
207.07938	1.2
215.07048	4.9
219.07988	4.2
221.06073	1.2
221.08095	3.6
225.09087	2.0
235.03990	1.5
235.07500	2.2
237.08934	1.8
240.64433	1.1
241.08629	1.4
246.06718	1.2
247.07549	8.2
248.08138	1.1
249.09062	1.6
251.06783	1.4
253.08592	4.9
257.06894	1.2
261.09097	1.2
264.07703	1.6
265.08542	2.2
267.09979	3.9
269.08115	9.5
270.08810	1.5
275.06863	4.5
277.08505	1.5
279.10150	3.5
281.07877	1.7
284.10385	7.1
285.11005	7.1
292.07010	1.5
295.09442	5.6
307.09543	11.9
308.10114	1.9
327.12219	28.6
328.12616	1.5
339.12106	13.5
357.13187	25.6
358.13528	1.9
363.38525	1.0
371.09424	1.6
389.10471	7.7
448.13504	2.1
471.53723	1.2
477.33237	3.2
478.14786	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	478.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01180	1.1
51.26623	1.2
53.90804	1.3
54.32647	1.1
55.01817	2.7
58.34819	1.1
68.79841	1.5
69.06958	1.3
69.94189	1.4
70.06509	5.2
79.05414	1.8
79.55699	1.5
85.11874	1.3
86.09612	6.4
89.55284	1.3
91.05390	6.6
100.97381	1.4
103.05398	54.8
105.06971	19.9
115.05400	2.3
119.04890	12.7
120.08053	2.2
130.04195	1.4
131.04892	100.0
133.06444	13.2
137.05956	3.5
141.11137	1.6
146.03580	1.7
147.04407	14.6
151.07439	2.0
161.05923	23.0
163.07468	14.8
179.06975	14.5
199.07472	2.0
202.07771	2.0
231.07994	2.6
259.07407	3.2
262.20633	1.5
291.10065	7.6
323.12689	5.2
351.12036	8.9
368.65253	1.5
386.86548	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62576	0.7
53.00237	3.8
55.01820	1.2
56.96504	1.3
57.03372	34.1
58.85992	0.7
59.04919	5.3
60.04450	2.0
60.07994	0.7
61.02849	1.5
67.05409	1.0
68.51008	0.8
69.03351	100.0
70.06494	4.1
71.04906	1.2
72.08049	4.3
73.02827	1.7
75.04398	7.1
79.05416	2.2
81.03325	1.9
84.04400	1.1
84.08057	1.7
85.02828	64.6
86.09628	1.7
87.04395	58.2
91.05382	1.2
93.06932	1.6
95.04874	0.9
97.02824	60.1
99.04409	1.9
105.06949	0.9
107.04900	13.7
109.02838	1.7
110.03619	3.9
111.04369	4.2
112.83887	0.8
115.03888	53.0
117.06963	1.9
125.05937	12.5
127.03873	4.9
129.10181	1.1
131.08508	3.4
131.40681	0.8
133.04936	47.9
135.07986	5.6
137.05960	4.5
144.06593	1.0
145.04939	4.0
150.07581	9.3
159.08029	1.1
162.07567	0.9
167.10641	24.9
169.05003	1.3
191.10619	3.7
203.10634	4.0
209.11720	1.4
218.80502	0.9
233.11514	1.7
239.10634	1.1
245.11514	2.9
277.09134	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60692	1.4
54.81395	1.9
55.05446	23.3
57.03365	17.3
57.06999	2.1
61.84441	1.4
67.05076	2.3
67.05424	49.3
69.06984	29.1
79.05399	10.3
81.06972	41.3
83.08531	14.5
91.05396	9.3
91.16419	1.4
93.06965	11.3
95.08525	30.8
95.67292	1.4
97.10048	2.6
104.29270	1.7
105.06934	3.3
107.08507	6.6
109.10114	10.2
111.08060	1.9
119.01827	1.5
119.08523	2.3
121.10097	2.3
124.93770	2.6
133.10077	3.1
135.11636	2.3
142.94774	3.7
182.16426	1.8
306.27820	2.0
337.27280	100.0
338.27820	2.3
479.21152	3.9
496.42401	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05434	25.0
57.03358	6.2
57.07003	5.0
58.82070	3.6
61.30414	3.1
62.06013	28.7
64.25298	2.9
66.30853	3.6
67.05434	47.0
69.06975	28.8
77.42769	3.2
79.05398	16.2
81.06963	52.6
83.08535	8.4
91.05358	6.1
92.10316	7.2
93.06963	9.1
95.08527	24.5
98.98394	6.7
101.81677	4.3
107.08525	7.6
109.10059	5.8
123.11629	3.6
133.82411	3.5
175.70911	3.9
193.32600	4.2
306.27795	8.2
326.16064	4.2
337.27289	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2927
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
51.57907	0.3
55.01826	0.6
55.05449	9.3
57.07013	0.8
62.06021	1.8
67.05428	10.6
69.06985	9.0
79.05399	3.6
81.06982	9.7
83.08526	2.3
84.90308	0.4
85.05201	2.5
86.05978	0.6
86.09606	0.4
92.10315	0.8
93.06965	1.8
95.08537	5.9
97.10090	0.5
98.05983	15.6
104.10679	2.1
105.06969	0.9
107.08553	1.0
109.10114	1.8
110.09618	0.4
112.07550	1.9
112.29553	0.4
112.30309	0.5
115.30944	0.4
119.08539	1.7
121.10035	0.5
124.93800	0.5
124.99948	0.7
126.09132	0.8
128.08940	0.4
154.12257	0.9
168.13890	0.4
208.16953	1.6
222.18477	0.5
224.55208	0.4
254.56126	0.4
306.27859	100.0
307.28143	2.2
324.28772	0.6
437.18988	3.7
478.20203	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	0.8
55.54000	0.8
70.46385	0.8
71.63731	0.8
71.93326	0.8
93.18822	0.9
95.08591	0.9
97.48869	0.8
102.01425	0.9
102.91764	0.9
119.30463	0.7
132.59596	0.9
144.86807	0.9
175.63002	1.0
285.13821	4.8
300.15836	1.2
301.16809	1.2
309.11139	0.9
322.96689	0.9
329.20026	3.4
390.19531	5.7
405.21851	9.1
420.25552	1.1
434.25806	38.1
435.26291	4.5
448.26907	3.0
449.28317	4.6
478.32056	100.0
479.26526	1.4
479.32379	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	478.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54063	3.4
55.05445	22.1
57.07013	6.9
62.46492	4.4
67.05429	36.6
69.07001	28.6
77.23605	3.4
79.05399	31.9
81.06974	100.0
82.82081	3.5
83.08549	7.1
89.61507	3.7
91.05397	21.4
91.58779	3.4
93.06977	51.9
95.04842	4.6
95.08533	92.5
103.91750	4.3
105.06990	28.8
107.08540	51.9
108.13067	3.7
109.10129	32.4
110.56652	4.0
119.08553	33.1
121.10105	44.8
123.11670	9.0
131.08514	6.0
133.10089	7.0
134.50375	4.3
135.11664	18.7
137.13258	7.4
145.10110	5.8
147.11644	9.8
149.13239	23.8
153.47386	4.1
159.11678	9.0
161.13239	8.7
163.14755	5.1
202.80675	4.7
203.17918	7.8
217.19482	16.2
236.96452	4.3
290.02435	4.0
407.64636	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	479.143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81231	0.6
54.98604	0.6
55.05441	1.0
56.04976	0.7
56.96500	15.6
57.03369	3.6
60.04450	1.1
61.02850	1.0
69.03352	8.8
69.06982	1.4
70.06512	14.5
71.06824	0.6
71.49105	0.6
72.08070	6.2
75.67757	0.7
80.25893	0.7
81.03316	0.7
84.04419	4.3
84.08076	9.2
84.77022	0.8
84.95973	6.7
85.02826	9.4
86.09627	7.8
87.04382	4.0
88.03902	0.6
91.05392	1.2
92.10708	0.8
95.04895	0.8
96.82560	0.8
97.02816	5.1
98.25734	0.7
98.97513	63.2
101.07112	0.9
102.05476	0.9
105.07001	1.0
107.04894	1.1
109.02830	0.9
110.07118	3.5
110.97494	8.4
115.03884	3.1
116.98570	53.5
120.08054	1.7
123.04347	0.8
124.99101	1.0
125.05934	5.0
127.03890	1.1
128.98563	16.7
129.09335	0.8
129.10201	6.1
131.00137	4.0
133.04936	1.3
134.99623	25.3
135.04408	0.9
136.07591	1.0
137.05940	5.0
139.07480	1.2
140.98550	1.6
141.05418	1.4
141.10231	0.8
143.00121	7.7
144.98076	4.1
146.58820	0.7
146.99629	16.6
149.01151	3.7
152.98570	3.2
153.00691	3.6
153.05440	8.1
154.06219	2.8
158.99623	29.7
161.01176	16.7
161.04793	2.6
161.05997	0.9
162.99142	4.8
163.03952	1.0
165.00641	1.8
166.06221	1.6
167.07014	5.1
169.03589	0.7
169.04933	4.4
170.05742	3.3
170.99615	10.6
173.01193	1.7
174.05627	0.8
174.99133	1.0
177.00667	49.4
178.06169	7.7
179.02216	3.0
179.03513	1.0
181.08470	0.9
182.05713	6.2
184.07262	1.0
185.01024	0.8
185.04779	1.7
185.08049	10.8
189.00667	13.6
191.02159	0.9
194.05756	10.7
194.81516	0.7
195.01729	6.8
195.10092	0.9
197.08069	4.6
201.00571	7.5
203.05861	1.0
207.01765	2.7
209.08012	5.6
213.00858	1.1
219.01694	24.9
220.07205	0.7
221.08012	1.6
227.05904	2.6
227.09091	3.2
231.01732	1.5
235.09497	0.8
237.02769	51.6
239.05942	2.5
249.02821	9.7
251.09056	1.4
255.03848	4.0
263.09030	1.7
267.03851	5.0
281.10129	1.7
287.08014	10.0
291.03735	9.1
305.09021	49.9
306.09308	1.4
328.10748	0.8
340.08221	0.8
419.12161	100.0
420.12433	3.0
437.13379	1.1
458.21396	0.8
479.13947	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67098	2.1
52.82926	2.1
55.01802	2.5
55.05459	3.7
55.91122	2.0
56.04978	4.9
56.96499	19.6
57.03379	21.5
60.04471	3.5
60.48876	2.0
61.02860	9.7
67.05421	2.5
69.03350	68.3
69.06993	9.8
70.06508	50.0
72.08067	21.9
73.02838	3.0
74.06003	3.0
75.04396	3.8
78.11207	2.0
78.25822	2.1
79.05415	3.2
81.03329	14.8
84.04442	18.5
84.08067	26.7
84.95947	3.3
85.02828	59.0
86.09629	31.9
87.04384	26.1
88.03916	2.4
91.05390	3.5
95.04894	3.4
97.02823	40.0
98.97517	88.6
99.04369	2.4
102.05492	3.5
105.30819	2.2
109.02819	2.9
109.06490	9.5
110.03610	9.7
110.07145	12.4
110.97517	5.5
111.04383	3.5
115.03888	20.3
116.07028	3.4
116.98566	56.2
120.08070	10.9
123.04413	4.0
124.05214	3.8
125.05936	34.5
127.03899	4.8
128.98570	19.0
129.10225	16.5
131.00177	2.6
131.04823	2.7
133.04958	14.3
134.99635	26.4
135.04378	4.9
136.07567	4.2
137.05978	16.5
139.03853	4.8
139.07520	12.2
141.05429	4.2
142.75005	2.4
143.00131	12.7
145.04918	3.6
146.99608	23.0
151.03860	3.2
151.07536	4.7
152.04669	15.3
153.00700	2.9
153.05449	63.4
154.06219	24.6
155.07066	2.5
158.99623	29.3
161.01184	23.3
162.99081	2.9
163.03888	14.4
164.04649	3.9
166.06186	22.6
167.06985	48.9
167.08292	3.0
169.04892	20.5
170.05679	22.8
170.99614	11.5
175.03946	2.9
177.00641	50.4
177.01979	3.5
177.05411	8.1
178.06206	58.2
179.03430	31.0
181.08589	14.9
182.05725	60.3
184.07312	12.1
185.08041	96.6
189.00639	21.7
189.05399	2.5
191.03386	4.6
191.07013	10.1
192.07797	13.4
193.04881	3.2
193.08551	2.4
194.05714	83.8
195.01709	3.8
195.06393	10.5
197.08041	37.9
201.00677	10.6
205.04942	4.9
206.05621	5.0
207.01720	5.1
209.08051	63.7
209.22775	2.7
213.00833	3.2
219.01753	34.1
219.06416	3.7
220.07266	13.7
221.04456	4.8
221.08063	16.5
223.09569	3.6
227.09090	34.1
231.01695	2.3
233.04347	3.8
234.08710	2.7
235.09706	4.7
236.06734	9.3
237.02773	41.4
249.02751	20.3
251.09077	23.7
255.03860	4.0
263.09012	24.6
267.03836	5.0
281.10065	29.4
287.07983	5.5
291.03964	19.3
293.10217	4.3
305.09027	53.3
309.05060	3.7
311.11230	5.4
317.08841	2.5
399.52579	3.0
419.12198	100.0
420.12671	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	479.1905
Annotation	Scorzodihydrostilbene D
Peak:m/z	Relative Intensity
54.48555	1.9
54.52453	1.7
55.01815	2.3
55.05449	2.4
56.96492	13.1
57.03374	2.9
57.33055	2.0
64.44872	2.1
66.59671	2.4
66.97059	2.1
69.03343	11.6
70.06498	15.6
72.08051	3.5
81.06937	2.6
83.78235	2.3
84.08045	12.8
85.02820	13.3
86.09615	13.6
91.05365	3.3
97.02809	4.5
103.05392	12.6
105.06953	2.2
107.04852	2.4
110.07076	3.8
116.98558	2.6
119.08495	3.0
120.08029	9.3
129.06949	2.5
129.10150	3.9
131.04848	16.9
134.99614	2.9
137.06042	3.5
149.05933	2.5
159.66360	2.2
163.07489	2.9
170.94733	2.1
181.06389	3.1
186.42136	2.1
187.07465	8.6
193.10072	9.2
196.08792	16.4
197.09564	3.5
207.11589	2.4
209.09598	5.2
210.10333	13.0
211.11127	36.0
213.07880	9.9
213.44485	2.1
217.08481	4.0
223.07414	2.6
224.08258	19.8
224.11864	2.4
225.08994	5.2
225.12572	17.3
228.07730	8.5
231.09053	22.2
235.11089	8.0
237.09064	2.8
238.09846	14.4
239.10623	89.7
240.10924	2.8
241.08446	3.3
241.12215	3.6
242.09290	29.1
253.12157	24.6
257.06909	4.4
257.11716	3.6
263.10571	4.3
266.09341	10.0
269.11630	3.2
275.07919	12.4
281.11624	100.0
294.65723	2.5
299.12668	54.8
317.13733	70.8
439.16245	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	479.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	0.9
55.01801	3.5
55.05439	5.6
56.04960	5.6
56.96491	0.9
57.03366	1.9
58.34321	0.9
60.04453	4.8
61.01061	1.1
65.03844	1.2
67.05418	1.4
69.03345	1.7
69.06979	3.4
70.06146	1.3
70.06509	37.7
71.04888	1.2
71.06828	1.1
71.67320	1.0
72.08067	30.2
74.05973	3.3
75.68275	0.8
77.34301	0.7
78.04617	3.8
79.05393	11.0
81.03287	1.0
81.06963	4.0
83.06013	1.0
84.04414	16.7
84.08067	39.9
84.80741	0.8
85.02822	5.5
85.06454	1.0
85.08414	1.0
86.09154	1.3
86.09627	27.2
87.05524	1.0
87.09965	1.2
88.03915	2.2
91.05403	30.4
93.06964	3.5
94.04062	1.3
95.04888	7.6
95.08536	1.0
97.02801	1.3
102.05472	6.0
103.05409	8.5
105.03311	4.6
105.06950	4.6
106.04089	1.1
107.04897	18.6
107.08530	1.8
109.06465	6.8
109.10076	1.0
110.07114	14.0
112.08672	1.6
113.02201	0.9
115.05418	6.8
115.08644	1.0
116.07006	3.6
116.98523	1.1
117.06930	1.5
119.04889	31.0
119.08512	1.6
120.08047	20.7
121.06461	5.0
122.03597	3.8
123.04373	16.4
123.08002	2.1
124.05191	7.0
125.05943	3.6
129.06979	1.2
129.10208	15.5
130.05011	0.9
131.04887	11.1
133.06403	3.5
134.03627	1.2
135.04350	1.4
135.08012	3.7
136.07552	14.4
137.05952	35.0
140.04671	9.4
141.06679	1.0
141.10152	1.1
143.04900	1.3
145.06447	4.1
147.04367	14.9
147.07933	1.8
149.05963	4.9
149.89273	1.0
151.03841	3.6
151.07521	13.4
152.04668	3.5
153.05421	5.5
155.06998	4.3
155.08189	1.1
157.06398	1.4
159.04298	0.9
159.08000	1.1
160.05141	2.1
161.05937	31.4
162.06700	3.5
163.07465	4.1
165.05486	1.7
165.06894	1.6
167.07004	100.0
168.07365	0.9
170.06046	1.0
172.05148	2.0
173.05890	0.9
174.06671	3.5
175.07471	15.1
177.05466	1.6
177.08832	1.2
178.13313	1.2
179.06989	7.3
179.08447	1.9
183.06482	8.0
187.07439	5.0
188.04527	1.1
189.00407	0.9
189.08844	0.9
191.06900	4.6
191.08502	1.9
193.03137	1.6
193.06500	1.0
193.08369	1.0
194.07111	1.7
195.07967	3.8
201.12375	1.1
203.06981	10.2
205.08556	3.9
206.07089	0.8
207.07999	3.8
208.08751	1.2
209.06033	1.3
209.09657	0.9
211.07516	1.7
219.07974	3.7
220.05023	1.0
221.05869	3.3
221.07973	3.7
222.06633	1.1
223.07515	3.3
224.08266	1.5
234.06718	1.7
235.07481	4.1
236.08263	1.5
237.02948	0.9
237.05315	1.2
237.09105	1.4
238.06232	1.2
239.07095	1.6
240.07686	1.1
241.08467	1.6
247.07468	3.5
249.05380	3.3
251.06870	4.9
252.07710	1.9
253.08525	3.5
255.06471	1.5
255.10103	1.8
263.06879	3.7
264.07733	4.7
265.08563	3.9
267.10150	1.9
269.07974	1.0
270.08810	1.2
278.09076	1.1
279.06476	1.5
279.09692	1.1
281.08145	1.8
281.11243	1.3
283.09561	2.0
293.07855	1.6
294.08713	1.1
295.09555	4.4
297.11115	4.0
299.09030	1.6
309.07632	1.6
309.11084	4.4
315.12259	4.2
324.09726	1.3
325.10690	1.8
327.12094	2.1
330.10632	1.3
339.12277	8.0
341.13824	1.0
357.13049	2.0
368.21738	1.1
374.13385	3.7
375.14374	12.2
479.18826	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3129
Annotation	BIBN-161
Peak:m/z	Relative Intensity
53.01642	1.6
54.81658	1.9
54.84406	1.8
59.38728	1.8
63.61643	1.8
66.98981	1.8
79.05371	2.3
98.27681	2.0
123.07843	2.0
173.40544	2.2
177.73802	2.1
385.58401	2.3
446.46893	2.9
479.31064	100.0
479.41415	2.5
480.31119	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	479.3127
Annotation	BIBN-161
Peak:m/z	Relative Intensity
54.81913	1.5
60.22246	0.8
62.84104	0.8
71.97032	0.9
72.91572	0.8
77.66239	0.9
95.08534	1.0
99.92240	0.8
106.24364	0.9
138.67050	1.0
173.82970	0.9
479.30966	100.0
480.31308	6.4
502.86624	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3129
Annotation	BIBN-161
Peak:m/z	Relative Intensity
50.89045	1.5
62.48269	1.5
64.79276	1.5
65.87044	1.5
75.73758	1.7
80.89318	2.2
88.92682	1.7
91.67862	1.8
126.05406	3.5
137.74480	1.6
191.14816	2.1
247.86032	2.0
306.66864	1.9
315.09348	1.8
366.78461	2.1
399.45554	2.1
434.25885	2.6
435.26044	3.2
478.32053	3.8
479.31311	100.0
480.31616	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	479.3127
Annotation	BIBN-161
Peak:m/z	Relative Intensity
55.31543	1.0
57.59834	1.0
61.36451	1.1
61.39352	1.0
81.32985	1.3
94.18190	1.2
148.04761	1.2
198.41525	1.2
225.04472	1.2
364.47156	1.2
433.87119	1.5
455.26453	1.7
479.31143	100.0
480.31549	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	479.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60191	4.6
55.05455	54.0
57.07010	7.9
58.06525	40.0
60.61364	5.9
67.05421	5.9
69.03335	8.2
69.06982	48.4
70.06511	57.4
72.08087	7.7
81.06966	10.7
82.22220	6.2
83.04874	24.4
83.08523	23.2
84.04408	28.2
84.08057	33.2
85.02805	25.6
85.06432	5.3
86.09631	74.7
91.05394	9.1
93.06958	10.8
95.08511	9.0
98.09585	7.8
100.07537	14.0
100.11195	77.8
105.06947	9.5
107.08555	6.0
110.05952	7.9
111.04380	52.6
112.07511	26.2
119.08475	7.1
120.08060	10.4
128.07033	26.8
129.10185	7.8
131.08548	6.4
137.05878	6.4
140.07030	5.9
140.10667	95.4
145.10085	6.6
161.05910	8.5
168.10143	32.4
168.13806	97.3
182.15372	72.8
191.29448	5.7
196.13280	48.5
209.16431	9.6
210.14854	59.0
218.04938	5.7
284.23117	25.5
294.74359	6.8
312.26520	12.4
316.98413	8.1
321.08865	7.2
337.21136	8.6
394.26923	8.7
415.93445	5.8
422.29901	25.5
430.88745	6.0
461.34766	10.6
479.35910	100.0
480.35797	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	479.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01812	34.1
55.05446	50.6
56.93345	1.4
57.03373	2.0
57.07005	2.5
58.77609	1.3
69.03348	3.2
69.06984	6.6
70.06496	14.7
72.04430	12.0
72.08062	3.3
76.57168	1.7
79.05389	2.3
81.03349	1.9
81.06992	3.3
83.04894	2.3
83.08534	28.8
84.04420	45.9
84.08058	10.5
85.02824	1.7
86.05888	1.9
86.09621	9.6
88.66245	1.9
91.05393	2.9
93.06977	2.6
95.08485	1.9
97.06451	2.0
98.09588	4.0
100.07543	13.9
100.11176	100.0
103.05372	2.0
105.06985	13.2
105.07605	1.6
107.04877	3.6
107.08557	2.0
108.99107	1.8
109.10030	2.7
110.07106	2.7
111.04366	9.1
112.07539	10.1
112.52596	1.6
117.06990	2.6
119.08540	2.0
120.08055	2.6
121.06459	2.2
121.10065	2.1
123.08030	1.9
125.09572	1.7
126.09105	7.0
128.07045	6.3
129.06950	1.8
129.10161	3.1
131.04848	1.9
131.08531	3.4
137.05911	20.1
140.07024	2.4
145.06445	3.5
145.10075	7.9
154.12238	39.2
167.06990	6.5
171.14845	3.8
175.07491	3.8
177.69383	1.6
182.11798	1.7
182.15370	63.5
187.07462	2.3
199.17879	5.5
209.16458	3.4
210.14845	29.5
211.15080	1.6
226.19019	2.6
227.17542	1.8
228.15866	6.6
255.17259	6.0
281.18552	11.7
309.21655	12.6
317.21191	2.2
364.82870	1.9
380.28815	1.9
461.34534	6.9
479.35815	76.6
480.36206	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	480.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05524	0.5
53.03891	1.1
55.01812	6.6
55.05447	3.8
56.04971	4.2
57.03366	1.1
57.68505	0.6
60.04458	1.0
65.03875	3.3
67.05418	1.0
69.03350	5.4
69.06986	2.7
69.38754	0.6
70.06513	26.8
71.04916	1.4
71.06836	1.2
72.08075	20.0
74.05977	1.4
74.61822	0.8
79.05411	6.1
81.06946	1.6
82.06444	0.6
84.04423	10.2
84.08071	25.3
85.02827	7.7
85.06452	1.4
85.08385	0.8
86.09627	16.3
87.04384	1.5
88.03907	1.6
91.05410	66.9
92.05750	0.9
93.06969	4.3
94.04113	1.4
95.04904	5.9
95.08555	0.6
97.02827	4.1
99.08022	0.8
101.07114	0.7
102.05480	2.8
103.05400	10.4
103.84326	0.8
105.03346	13.5
105.06976	15.8
107.04887	7.5
107.08588	1.2
108.05695	1.2
109.02885	0.9
109.06474	16.1
109.10123	1.1
110.07123	6.9
114.09121	1.4
115.03873	0.6
115.05457	5.6
115.08629	0.9
116.98633	0.9
117.07006	1.6
118.04089	1.1
119.04902	92.9
119.08533	2.9
120.05259	0.9
120.08073	5.9
121.06451	7.2
122.02854	0.7
122.03606	6.7
122.07226	0.7
123.04394	0.8
123.08019	7.9
124.05159	0.8
125.05946	1.0
127.03878	0.9
128.06172	0.9
129.06929	1.3
129.10194	12.0
130.04140	3.2
130.06538	0.7
131.04910	8.9
131.08553	1.3
132.05681	1.1
133.02838	4.0
133.04958	1.2
133.06465	11.7
134.99631	1.0
135.04396	3.0
135.08032	2.8
136.05179	3.0
136.07530	3.2
136.08563	0.6
137.02354	3.0
137.05959	100.0
143.04890	1.0
145.06493	3.6
146.06073	1.0
146.07227	0.8
147.04393	30.1
147.08015	3.5
149.00449	0.8
149.05966	11.4
150.06761	3.5
151.03896	3.4
151.07524	31.4
151.08699	1.4
155.04959	0.8
155.08209	1.0
157.06451	0.9
159.07999	4.9
160.05164	1.5
161.05949	29.8
162.06717	10.9
163.07515	3.2
165.05484	3.5
165.06767	0.8
166.07774	0.9
167.06963	2.6
172.05164	1.1
173.06039	1.1
174.06685	0.9
175.07523	18.9
177.05452	4.4
178.00813	1.4
178.07672	0.7
179.07027	20.6
179.08527	1.6
183.06494	24.5
187.07533	10.6
190.06226	2.5
191.08479	5.6
193.03192	8.2
193.04817	1.1
193.08478	5.3
194.07253	2.9
199.07515	1.1
199.10825	1.2
202.07739	1.2
203.08484	1.4
205.06635	1.4
205.08513	12.3
207.08049	2.3
208.08522	0.8
217.08409	1.2
218.07230	0.9
219.08046	10.4
221.05830	1.5
222.06725	3.5
225.07458	1.7
227.10269	1.0
231.07970	3.7
235.07494	2.2
235.09596	1.4
236.08366	1.2
237.09039	3.6
239.10634	1.0
247.07494	6.4
248.08253	2.8
249.08911	1.0
251.10634	9.4
253.08693	1.0
259.07632	0.9
263.10602	0.9
264.07867	1.5
265.08548	6.9
267.10162	1.4
276.07666	1.3
277.08444	1.4
279.10071	9.4
280.10513	1.4
291.10104	3.5
295.09705	2.5
296.10464	2.6
297.11118	4.6
299.12863	1.2
309.11151	11.4
310.11761	1.2
311.12704	13.4
323.12833	3.1
329.13763	4.2
341.13782	14.4
359.14752	4.8
367.91229	0.7
479.31995	6.0
480.32169	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	480.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65316	1.4
54.65348	1.5
55.01807	7.9
55.05441	6.9
56.04966	9.0
57.05743	1.6
60.04441	7.5
63.62558	1.5
63.63657	1.4
65.03833	1.9
67.05432	6.8
69.03339	3.3
69.06977	4.5
69.43199	1.5
70.06502	100.0
71.06820	2.7
72.08067	49.1
73.02840	1.7
74.05991	7.7
75.04401	2.1
79.05415	8.4
81.03335	2.3
81.06973	4.4
82.81910	1.9
84.04425	23.7
84.08057	60.2
85.02838	14.0
86.09624	62.3
88.03918	3.5
91.05396	50.4
93.06970	10.6
95.04897	10.2
95.06006	1.7
95.08529	2.9
101.07091	2.1
102.05446	6.3
103.05386	14.6
104.05286	2.5
105.03316	8.9
105.06981	14.0
106.04111	12.7
107.04881	17.0
107.08578	1.7
109.06464	15.8
110.05957	3.0
110.07111	24.9
112.08723	2.9
115.05397	4.3
115.08650	3.8
116.07026	2.8
117.06984	3.0
119.04881	55.2
119.08524	2.8
120.08047	27.6
121.06440	27.0
122.03564	7.4
123.08031	3.4
125.05939	3.4
125.09646	1.9
126.05444	1.7
127.03891	2.5
128.06216	1.9
129.10184	25.0
130.06459	3.5
131.04883	12.4
133.06429	8.4
135.08026	2.1
136.07571	7.8
137.04878	2.8
137.05936	87.6
139.07486	2.2
143.04903	2.4
145.06398	3.7
145.10121	2.0
145.95390	2.0
147.04391	21.3
149.05954	32.0
151.03891	8.4
151.07497	25.5
153.08994	2.2
159.07777	3.5
159.09134	3.1
160.05200	2.7
161.05896	26.2
162.06711	13.9
163.02084	4.3
163.07510	3.6
165.05423	3.7
167.06989	8.0
175.07452	20.7
177.05411	9.7
178.07697	1.8
179.06998	13.2
179.08444	2.9
180.07858	2.7
181.08591	3.8
183.06479	56.0
183.07950	3.3
187.07520	11.9
190.06253	3.2
191.08507	19.3
194.07301	9.7
202.47377	1.7
203.08484	2.3
205.06587	3.7
205.08531	6.9
207.07980	3.3
209.07970	21.6
213.12350	2.5
218.07205	3.4
219.07964	20.4
220.08638	3.4
221.05908	3.2
222.06708	6.5
225.07552	8.2
226.11787	1.9
235.07498	4.1
236.08284	2.4
237.09024	9.0
247.07455	14.1
248.08241	3.6
250.06107	2.3
251.10599	13.5
263.10513	2.7
264.07599	2.6
265.08508	22.9
267.10095	3.6
269.08038	2.4
279.10092	29.4
280.10736	2.5
295.09488	9.6
297.11108	20.0
299.12732	12.4
309.11163	7.6
310.11887	8.9
311.12759	26.3
329.13712	6.5
341.13699	56.0
359.14767	19.7
437.92783	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00248	0.8
53.03872	0.9
55.01796	1.0
55.05443	2.3
56.04958	3.6
57.03373	16.6
59.04921	3.7
60.04446	3.7
62.06021	0.8
63.71400	0.6
64.84162	0.6
65.39195	0.5
67.05425	0.7
69.03349	45.4
69.06965	1.0
70.06142	1.0
70.06507	22.4
71.04903	0.8
71.06838	0.9
72.08069	15.5
73.02832	1.0
74.05962	3.3
75.04397	5.8
79.05373	1.2
81.03322	2.4
81.06926	0.9
83.04895	0.9
83.06020	0.9
84.04436	9.7
84.07600	0.9
84.08067	16.9
85.02828	37.0
85.06488	0.6
85.08385	0.8
86.03161	0.5
86.09628	14.4
87.04397	23.4
87.09958	0.8
88.03897	2.4
91.05399	3.3
93.06973	0.7
95.04881	1.4
95.06002	1.0
97.02821	28.5
99.04379	1.0
102.05472	5.2
103.05374	3.4
104.05312	0.8
105.06960	0.7
107.04922	4.2
109.02821	2.2
109.06464	0.9
110.03629	4.0
110.07113	8.9
111.04365	3.1
112.08686	0.6
114.09109	0.9
115.03879	23.7
115.08614	0.9
119.04876	1.2
120.08065	5.7
122.03606	0.8
123.04335	0.7
124.07497	0.6
125.05948	2.7
127.03855	3.1
127.04863	0.7
128.06126	0.9
129.07016	3.9
129.10204	7.7
131.04895	5.2
133.04927	23.5
136.07535	2.9
137.02315	100.0
137.05934	18.0
145.04912	1.1
145.06422	0.7
148.85089	0.6
149.05963	0.6
150.07558	1.3
153.05412	1.3
155.03278	0.6
155.26305	0.5
157.06505	3.9
159.09161	0.8
159.11293	1.4
161.05988	2.2
163.07446	1.3
165.11394	0.5
167.06979	6.4
169.04924	73.7
172.05038	0.7
174.06708	0.9
175.07494	3.9
177.05566	0.6
183.11293	0.7
187.07475	4.1
187.10855	1.0
189.09019	4.4
199.11171	0.7
199.13010	0.6
201.12289	0.8
259.07886	0.6
296.10406	0.7
299.17804	0.5
311.12729	0.9
321.59384	0.6
323.12689	1.1
341.13876	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	3.7
56.96497	8.1
57.03367	21.1
59.04914	4.6
62.78096	4.3
65.03873	5.5
68.79655	4.1
69.03346	100.0
70.06501	7.9
72.08060	10.6
75.04376	5.2
79.53965	3.6
81.03339	6.2
83.53196	4.2
84.04399	18.2
84.08060	10.9
85.02824	70.1
86.09620	43.2
87.04395	35.3
88.03886	4.6
88.22565	4.1
92.63979	4.4
97.02811	57.4
110.07101	5.2
111.04379	31.4
115.03876	35.8
116.98557	8.5
120.08054	9.1
123.04349	6.1
125.05922	10.7
127.03872	6.1
129.10187	9.4
133.04904	26.8
139.03944	5.7
151.03889	21.9
163.03862	7.4
169.04913	58.6
181.04831	6.6
195.64079	4.1
211.19113	4.3
215.14262	4.6
219.01859	6.3
237.02686	23.4
303.07639	6.4
321.08572	5.8
420.11533	23.6
480.05368	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	480.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03872	0.3
54.81557	0.2
55.01796	0.5
55.05442	1.9
56.04965	1.5
57.03370	7.5
59.04919	0.3
60.04442	0.4
61.02850	0.5
62.06005	0.5
65.49789	0.3
69.03343	2.7
69.06977	0.3
70.06137	0.4
70.06507	8.4
71.04906	51.0
72.08064	3.0
73.02809	1.5
74.05974	1.5
75.04382	2.4
75.35239	0.3
79.05415	0.4
81.03347	0.5
83.04899	3.2
83.06020	0.4
84.04418	5.1
84.08063	7.8
85.02824	53.5
85.08389	0.3
86.03172	0.5
86.09618	4.3
87.04360	1.4
88.03922	0.5
91.05396	1.4
92.10606	1.0
94.04107	1.8
95.04882	1.9
97.02817	1.5
99.04343	1.2
101.07069	0.5
102.05450	1.2
103.03860	0.3
106.12315	0.3
107.04881	0.6
109.02836	0.6
110.07083	2.8
111.04377	1.8
112.07539	0.3
116.07050	0.4
119.04890	0.4
120.08080	2.5
122.03600	7.0
123.04371	6.6
124.05172	1.7
126.09164	0.3
127.03828	1.4
129.05434	12.0
129.10194	5.0
130.04953	1.5
133.02824	0.7
136.07529	1.2
137.05948	100.0
138.06294	2.5
139.03833	0.4
140.04634	0.6
140.08134	0.3
145.04962	0.5
147.04491	0.3
147.06496	5.9
149.02222	0.4
151.03900	0.4
151.07497	1.4
153.05489	0.4
155.06999	13.0
156.07487	0.4
163.03926	0.3
164.04651	0.6
164.09142	2.3
165.05470	0.3
167.06985	3.2
177.01796	2.9
179.06989	2.2
181.04735	0.3
191.07004	1.1
193.04922	1.3
221.08058	1.1
247.09641	0.6
265.10501	0.5
281.09998	0.4
283.11771	1.4
361.09048	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00244	2.3
55.05444	2.4
57.03370	34.5
57.78740	2.2
59.04919	11.2
62.14237	2.1
67.05413	4.5
69.03345	100.0
69.06981	48.3
70.06489	3.7
71.04896	3.2
75.04378	11.7
77.45163	1.8
81.03318	2.3
81.06964	13.4
83.08529	2.2
84.08067	3.4
85.02343	3.6
85.02822	65.9
86.09621	4.3
87.04385	58.7
91.05423	3.5
93.06997	2.9
95.04867	2.2
95.08507	3.8
97.02225	3.9
97.02821	82.3
105.06977	3.3
105.50044	2.5
107.10352	2.2
109.10094	9.0
115.03870	62.7
120.08105	2.9
123.11675	36.1
127.03881	2.9
133.04916	44.1
137.05959	16.5
145.04932	3.3
147.04321	2.5
151.11131	27.9
167.06990	4.4
182.15141	2.3
185.13164	2.5
276.73590	2.2
283.15302	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	480.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05229	1.5
55.05449	31.5
57.03367	18.0
57.07005	15.3
67.05421	19.0
69.06985	42.0
71.08529	6.5
76.56472	1.7
76.68414	2.0
79.05399	8.7
81.06969	22.2
83.08532	23.2
85.10111	2.3
93.06956	14.8
95.08543	26.2
97.06411	2.4
97.10108	13.6
107.08483	6.4
109.10084	8.8
111.11709	2.9
121.10090	11.9
133.83546	1.6
135.11626	6.8
136.22757	1.5
149.13220	1.6
150.84863	2.2
157.19482	1.7
163.28651	1.7
183.71835	1.5
191.34706	1.6
219.37477	1.6
308.29333	3.2
339.28839	100.0
340.29309	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	480.3079
Annotation	1-18:1-lysoPE
Peak:m/z	Relative Intensity
55.05442	30.5
57.03362	6.2
57.07008	5.6
62.06013	30.7
67.05417	18.0
69.06985	45.6
81.06963	21.5
83.08528	20.5
85.61430	3.0
93.06984	5.2
95.08530	19.5
97.06447	3.2
97.10104	5.8
98.98387	12.7
109.10093	4.9
109.20174	2.9
124.01506	3.6
135.11684	5.2
135.14592	3.6
155.00998	4.6
170.27965	3.4
180.37964	3.2
308.29440	16.1
339.28870	100.0
462.29764	12.9
480.30566	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	480.3082
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
54.84493	0.4
55.05435	3.0
56.04958	1.1
57.03361	0.9
57.07019	0.4
58.06530	0.7
59.07299	0.5
60.08093	24.6
61.08378	0.5
67.05420	2.9
68.69106	0.5
69.06976	2.9
71.07288	8.2
79.05392	2.4
81.06963	1.9
83.08520	2.4
83.56937	0.5
86.09624	78.3
87.09960	0.5
90.60727	0.4
92.10874	0.5
93.06950	2.0
95.08508	0.9
97.06464	2.7
98.98382	5.1
104.10676	100.0
105.11042	0.6
107.08533	2.0
109.10110	0.8
121.10100	2.6
123.11605	0.4
124.99958	41.8
129.05424	0.8
143.01024	0.6
184.07298	99.8
185.07607	0.6
258.10898	0.6
459.68765	0.5
462.29697	7.9
480.30750	27.9
481.31076	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55508	0.6
55.05446	0.9
57.07011	0.7
57.23068	0.7
60.08098	10.1
60.17767	0.7
64.33749	0.7
67.05421	0.8
69.07011	0.8
71.07297	3.2
79.05397	0.8
80.10441	0.7
81.06963	1.4
86.09622	48.6
95.04856	0.8
98.98410	3.1
103.93366	0.8
104.10666	3.2
119.08548	1.2
124.99953	35.7
125.00828	1.7
130.26564	0.7
132.06799	0.8
135.21747	0.9
143.01028	0.8
146.88631	0.8
184.07295	100.0
204.15971	0.8
237.88179	0.9
238.94460	0.7
248.31894	0.8
307.28259	2.9
480.30316	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3079
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
54.81955	0.3
55.01797	0.5
55.05446	8.3
57.07015	2.4
62.06010	0.5
62.91437	0.2
67.05418	1.6
69.06983	6.2
69.16280	0.2
71.08533	0.6
74.53405	0.3
79.05389	0.5
81.06958	1.6
83.08527	3.2
85.05203	1.4
85.10122	0.3
85.89687	0.3
86.06005	0.9
89.32455	0.3
91.14423	0.3
93.06971	1.5
95.08549	1.0
97.10075	0.7
98.05367	0.5
98.05973	11.8
105.08102	0.3
109.10090	0.5
112.07521	1.3
119.70368	0.3
120.74230	0.3
124.93711	0.3
126.09073	0.4
134.52281	0.3
197.05272	0.3
283.07834	0.3
285.45816	0.3
308.29395	100.0
309.29666	4.1
393.01575	0.4
454.15561	0.3
480.21234	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32358	0.5
55.05448	0.9
58.01811	0.7
58.46717	0.6
59.92783	0.5
60.08089	9.0
67.05422	2.8
69.06981	3.7
71.07272	5.0
71.30849	0.6
74.49163	0.7
79.05363	0.8
81.06965	2.6
83.08506	0.7
86.09621	47.2
87.21234	0.7
93.06970	0.9
95.08514	1.3
98.05995	1.5
98.98381	3.8
104.10701	7.3
107.08481	0.7
109.10186	0.8
115.51740	0.6
116.98589	0.6
119.08588	0.8
121.10148	0.8
124.99954	37.0
140.60197	0.6
172.95021	0.7
174.90169	0.6
184.07288	100.0
187.87120	0.7
191.84464	0.8
306.27765	5.8
307.28201	11.2
308.28470	8.6
345.65140	0.7
396.52100	0.9
480.31006	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	480.308
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
53.03897	0.2
55.01795	0.4
55.05191	0.3
55.05448	6.2
57.03386	0.2
57.07007	2.5
62.06000	1.0
66.01917	0.2
67.05421	2.9
68.05771	0.2
69.06987	6.6
70.07315	0.2
71.08530	0.9
78.65155	0.2
79.05390	1.1
81.06965	2.5
82.06489	0.3
82.07307	0.4
82.85081	0.2
83.08537	3.2
85.05200	0.8
85.10065	0.2
85.85903	0.2
86.05967	0.9
91.05380	0.3
93.06960	0.8
93.85336	0.2
95.08535	1.9
96.07980	0.2
97.10078	0.9
98.05978	11.0
107.08531	0.5
109.10062	0.5
110.09655	0.3
112.07559	1.7
116.30608	0.2
121.10094	0.3
124.93736	1.6
126.09128	0.3
129.24799	0.3
135.11613	0.2
140.10721	0.3
142.94803	0.9
168.13834	0.2
204.03482	0.2
207.59073	0.2
219.22736	0.2
236.75969	0.2
238.21570	0.2
283.92996	0.2
308.29410	100.0
309.29764	3.1
326.30588	0.3
337.27292	0.4
338.27652	0.9
339.27853	1.0
480.21545	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	1.0
55.01818	0.8
55.05449	3.7
56.04971	3.9
57.03368	4.3
60.04452	2.9
67.05424	4.0
69.03345	9.1
69.06974	2.9
69.84869	0.5
70.06140	0.8
70.06510	20.0
71.04911	2.2
72.08069	12.5
74.05989	2.3
76.55765	0.5
78.67686	0.5
79.05392	4.2
81.03329	0.7
81.06974	8.0
83.01011	2.5
83.04902	2.0
84.04424	9.3
84.08060	15.0
84.08530	0.9
85.02826	8.3
85.06468	0.9
86.09148	0.9
86.09628	18.5
87.04393	5.1
87.09901	0.7
88.03894	1.0
91.05394	3.7
92.13531	0.5
93.06975	4.9
95.00993	4.3
95.04861	1.3
95.08533	2.5
96.01812	1.1
97.02811	6.7
97.06454	0.9
98.03172	0.6
98.97527	0.6
99.08017	2.9
102.05486	2.7
103.05372	1.2
105.06982	1.1
107.04887	0.8
107.08543	2.5
107.96043	0.5
109.02753	0.6
109.10124	0.9
110.07114	8.9
112.01299	1.2
112.08671	0.6
113.02062	5.5
114.09113	3.8
115.03895	4.1
115.05287	0.6
116.07034	0.6
116.98534	0.7
117.06974	0.6
119.04862	1.0
119.08491	1.4
120.08066	7.5
121.10101	3.7
123.04345	0.7
126.02824	0.7
127.03869	1.1
129.06973	0.6
129.10184	7.7
130.04994	0.7
131.04878	2.3
131.08546	1.2
133.04910	2.3
133.10086	2.4
134.32198	0.6
134.99644	0.6
135.11691	2.8
136.07542	4.4
137.02316	13.0
137.05952	9.6
138.02676	2.3
138.06378	0.8
145.10091	1.1
147.04344	0.7
151.03781	0.6
153.05400	1.2
157.04704	2.4
159.11496	0.6
161.05899	1.1
163.03810	0.7
163.07484	3.8
167.03114	0.7
167.07005	2.2
169.04929	8.4
170.05299	2.6
173.13115	0.8
175.07509	1.0
185.04185	9.2
192.22716	0.6
199.07463	0.7
201.03587	2.2
207.11099	0.7
235.10732	0.6
244.03452	0.7
245.04051	0.7
257.04129	0.6
259.07895	1.3
265.18024	2.5
271.05841	0.6
279.40985	0.5
283.18918	4.1
299.40494	0.7
319.07870	0.8
359.17102	0.6
376.85455	0.6
481.13040	100.0
481.22025	4.5
482.13400	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	481.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03895	1.4
55.01815	1.6
55.05452	6.3
56.04986	2.2
56.96498	22.9
57.03375	1.5
59.04916	1.2
59.66734	0.7
60.04457	5.0
61.02842	1.5
67.05421	4.3
69.03339	10.3
69.06984	7.0
70.06133	1.7
70.06506	34.2
71.04900	4.8
71.06857	1.6
72.04401	1.1
72.08065	24.8
73.02833	1.1
74.05981	5.1
76.55571	1.0
79.05409	5.0
81.03337	1.4
81.06982	6.1
83.04926	1.0
84.04427	12.8
84.08061	23.4
84.95964	10.2
85.02824	16.6
85.08363	1.1
86.09622	48.5
87.04385	4.9
87.05505	1.7
87.09982	2.3
88.03887	2.0
91.05393	5.8
93.06977	5.0
95.04898	3.9
95.06040	1.9
95.08531	4.4
97.02821	7.7
97.06443	1.0
98.06003	1.3
98.97505	50.6
99.08035	1.4
100.11201	1.4
102.05476	5.8
102.97033	1.5
103.05411	6.1
105.06964	2.2
107.04905	1.9
107.08530	1.9
109.02818	1.5
109.06441	1.0
110.05987	1.0
110.07128	13.3
110.97533	6.3
114.09121	5.0
115.03863	1.8
116.07021	1.2
116.98564	45.4
119.04909	1.1
119.08540	1.9
120.08062	12.2
120.98047	1.1
121.10045	2.2
123.04361	1.2
123.08004	1.0
127.03888	1.3
128.10660	21.4
128.98555	18.0
129.07025	1.0
129.10194	15.4
129.11029	2.4
130.04964	1.7
130.06442	1.2
131.00104	1.4
131.04884	10.8
132.05269	1.4
133.02870	1.2
133.06467	1.6
133.10147	1.6
134.99617	31.8
135.11699	1.8
136.07582	4.5
137.05943	16.7
140.98575	1.3
141.06590	1.5
143.00160	9.3
144.98036	3.9
145.10085	1.8
146.99617	21.7
147.04376	1.4
147.09216	1.1
149.01208	2.0
149.02322	4.5
152.98526	7.3
153.00694	3.9
153.01781	5.4
158.99605	17.8
161.01180	17.6
161.02394	1.4
161.05954	6.2
162.06406	1.2
162.99120	9.6
163.07521	1.9
165.00690	6.9
165.05406	1.3
167.03313	1.1
167.07021	8.7
168.07391	1.7
170.99615	15.8
173.01208	1.9
173.09569	1.5
177.00670	21.2
179.02251	2.3
183.06442	13.0
184.06802	3.7
185.09581	4.1
185.16403	1.2
187.07393	1.3
189.00697	16.2
189.09018	1.2
191.02165	1.1
195.01724	4.1
198.06691	3.9
201.00610	1.7
201.09062	59.7
201.16544	1.0
205.07469	2.3
213.00668	1.4
213.09018	14.7
219.01727	18.7
225.07256	1.1
225.09180	2.3
227.10696	1.0
227.17438	4.2
231.10141	1.7
235.10985	1.2
237.02757	51.2
237.12132	1.9
245.07869	3.2
247.08401	1.4
255.03831	5.8
255.13831	2.1
255.16983	4.0
265.12131	7.9
273.07516	4.0
283.13168	6.1
283.19116	3.4
289.09445	10.8
289.91699	1.0
301.06964	4.4
307.10565	90.3
308.11078	2.2
319.15259	10.4
325.11813	8.6
325.54599	1.1
330.12186	2.1
384.17389	1.6
421.13693	100.0
422.13803	2.3
439.14676	6.8
481.12637	18.1
481.21954	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	481.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68639	1.7
55.05431	8.8
56.96491	3.2
57.03357	4.2
58.21032	2.4
59.73079	2.2
62.63616	2.2
67.05434	16.0
69.03337	14.5
69.06973	8.3
70.06509	30.2
71.04896	5.0
72.08060	12.4
74.06001	2.1
79.85562	2.5
81.06976	22.2
83.04891	4.0
84.04417	12.1
84.08051	21.9
85.02819	12.4
85.06459	10.2
86.09642	23.1
87.04375	3.0
91.05391	4.6
92.31941	2.1
93.06953	5.0
95.08536	33.2
97.02808	11.2
103.05378	3.4
105.06981	3.7
105.18958	2.7
109.10104	5.4
110.07103	9.3
116.98582	3.6
119.08535	4.1
120.08056	16.9
122.03579	3.8
127.03762	3.3
129.10204	9.1
130.06523	3.8
131.04884	3.3
132.08022	3.9
133.04938	2.6
133.10056	2.8
136.07474	2.9
137.05922	35.3
147.11702	2.7
151.07529	3.2
151.14760	2.4
155.25801	2.2
159.09203	5.5
159.59641	2.4
163.07523	3.1
167.07001	31.2
169.15855	13.9
201.08987	2.9
253.08482	2.6
317.07898	3.0
319.15311	3.2
325.90469	2.3
481.16724	100.0
482.16733	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	481.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07009	1.4
57.74652	0.8
69.06985	1.5
71.08563	0.8
81.93234	0.7
83.73278	0.8
86.49890	0.7
89.05944	1.6
95.08543	1.5
102.65442	0.7
114.36859	0.9
117.64400	0.8
121.06432	0.8
133.08629	1.3
146.14966	0.9
147.08192	0.9
147.97145	0.9
317.24609	3.9
343.62384	1.0
356.90198	0.8
424.88211	0.9
481.32764	100.0
482.33115	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	481.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30066	1.5
50.55491	1.4
53.75087	1.6
57.07015	3.0
63.29979	1.7
73.15331	1.6
73.90675	1.6
74.39431	1.6
82.29977	1.8
87.41171	1.5
89.05936	20.3
92.10200	4.1
104.09794	1.7
128.97734	1.9
133.08592	3.6
146.12958	2.0
178.69168	1.7
212.43687	1.8
283.17520	10.5
317.17288	2.0
349.54391	2.1
359.95816	2.1
375.49326	2.1
441.49637	2.0
481.36441	100.0
482.36832	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	481.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
60.62014	1.2
66.97858	1.3
67.05435	1.3
67.90432	1.1
73.54226	1.3
87.04375	1.7
89.05949	12.2
90.93706	1.2
93.06990	1.6
124.93842	1.3
130.82484	1.4
133.08606	2.4
135.66246	1.5
147.14688	1.5
153.48773	1.5
225.04121	1.3
228.64565	1.7
278.69467	1.5
283.17572	2.0
300.06354	1.9
373.51132	1.5
481.36591	100.0
482.36774	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	481.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01814	23.4
55.05447	22.8
56.04964	1.7
56.96511	2.3
57.07019	15.6
64.95055	2.0
67.05413	2.0
69.06982	3.9
70.06504	10.8
72.04425	3.4
72.08053	7.8
74.09603	3.0
79.37388	1.7
81.06960	7.8
83.04874	2.1
83.08531	24.2
84.04426	33.2
84.08061	13.1
85.02818	3.4
85.06470	9.2
86.09615	13.0
93.06958	3.2
100.07544	7.9
100.11180	100.0
105.06998	3.7
110.07124	2.4
111.04379	10.7
112.07531	3.7
114.09064	2.6
119.08488	1.8
120.08115	2.3
121.06390	2.5
122.03638	1.9
128.07030	4.3
128.82513	2.1
132.99162	2.3
137.05949	42.0
140.07030	2.7
142.12218	13.3
154.12236	37.7
156.13791	23.0
161.05907	2.4
165.09036	2.1
168.13812	6.9
170.11731	7.0
182.11775	7.1
182.15350	24.0
184.13278	9.9
184.16908	18.4
194.07231	2.1
196.13388	3.3
199.11108	2.4
201.19624	3.3
209.16429	3.7
210.14804	28.5
228.15976	2.7
265.08389	2.4
281.18570	4.0
311.23233	7.9
463.36368	3.8
481.27121	2.5
481.37390	76.8
482.37225	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	482.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	3.3
53.46059	2.4
55.01831	2.9
55.05450	28.1
56.04957	2.9
57.03398	2.9
57.07014	2.9
59.04923	2.3
61.02842	3.5
67.05427	75.4
69.03342	19.7
69.06976	18.4
70.06504	55.3
71.04909	17.4
72.08078	26.7
73.68016	2.3
75.47446	2.4
75.87360	2.4
79.05397	39.2
81.06967	100.0
83.04900	5.7
83.08524	12.1
84.04427	12.2
84.08063	33.0
85.02821	13.1
85.06462	17.0
86.09628	33.9
87.04381	17.7
88.03954	3.0
88.84130	2.5
91.05398	35.4
93.06960	45.9
95.04873	9.4
95.08527	89.7
97.02833	4.8
97.10111	11.1
99.08031	3.1
101.05965	3.4
103.05396	10.1
105.06955	27.0
107.04882	23.1
107.08527	30.6
109.06452	3.7
109.10073	32.4
110.07110	15.3
111.04353	3.8
111.08042	5.9
111.11643	2.6
115.03929	3.6
116.98585	4.5
117.06944	4.1
119.04889	5.1
119.08513	18.0
120.08023	18.7
121.06477	5.2
121.10095	67.4
123.04395	5.5
123.11720	19.2
127.03838	3.2
129.05432	3.1
129.06960	16.7
129.10213	11.5
130.06406	2.7
131.04921	4.4
131.08543	14.4
133.10074	18.0
135.07974	3.6
135.11632	21.7
136.07538	3.7
136.23880	3.0
137.05930	19.5
137.13206	3.0
139.11116	4.5
140.04677	4.2
143.08566	3.3
147.08008	3.8
147.11681	10.0
151.07541	11.6
155.06949	5.0
157.06464	5.9
159.09221	4.1
161.05940	45.8
161.09633	17.0
163.07523	10.3
165.09003	3.7
166.06215	3.7
167.07011	66.0
167.08354	5.4
171.11606	2.8
174.06683	5.3
175.07437	5.0
181.04834	2.7
181.08556	32.4
182.07251	4.6
189.09079	43.0
190.09354	2.7
203.17879	26.1
207.10161	4.0
219.08170	2.8
219.10085	19.0
221.19009	14.6
223.07634	3.2
225.09071	9.9
231.17502	3.3
239.19983	43.3
249.18402	4.6
253.08632	4.2
257.11572	3.4
267.19580	20.9
283.09558	4.1
283.13159	4.0
285.11136	5.7
285.14676	2.8
285.20517	24.2
324.17908	3.2
343.15298	12.1
360.15433	14.6
361.16299	46.3
435.20123	28.2
482.17770	4.1
482.27866	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	482.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60885	0.3
55.05446	0.5
56.04962	0.7
57.07009	6.7
58.06525	1.0
60.08094	22.4
67.05421	1.0
71.07294	8.3
71.08533	2.3
73.27795	0.4
81.01568	0.4
81.06963	0.7
83.08504	0.6
85.10091	1.7
86.09628	70.1
87.09958	0.6
90.60878	0.5
90.70557	0.4
95.08511	1.0
98.98402	4.7
104.10680	100.0
105.11038	0.5
109.10094	0.5
123.48249	0.5
124.99964	42.6
138.91734	0.4
163.01590	0.6
184.07304	94.1
185.07648	0.6
260.21481	0.5
299.25684	2.4
349.08597	0.5
464.31296	7.3
482.32336	28.9
483.32571	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81760	0.5
55.05443	0.8
57.03362	0.7
57.06993	2.6
57.13683	0.4
58.06514	0.6
60.08092	10.1
67.05414	0.7
69.06969	1.9
71.07282	5.1
71.08540	0.5
77.83051	0.4
78.72192	0.4
81.06969	0.8
86.09622	50.5
98.05961	0.7
98.98384	4.2
100.74149	0.4
103.98917	0.4
104.10683	5.3
105.72559	0.5
122.37054	0.4
124.99958	38.9
128.85329	0.5
129.15276	0.4
149.57184	0.5
184.07294	100.0
210.07253	0.5
218.21367	0.5
308.29425	3.0
309.29645	5.3
310.29935	4.1
326.02240	0.5
374.92603	0.6
482.32260	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	482.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04975	0.9
57.05758	0.9
57.07001	4.7
65.76465	0.6
67.05407	1.0
69.06983	1.6
70.06506	4.2
71.08527	3.0
72.08064	100.0
74.99500	0.6
81.06944	1.0
85.10104	0.9
86.09614	6.6
90.09111	2.9
91.30800	0.6
95.08517	1.6
102.44846	0.7
102.56557	0.7
104.68036	0.6
107.56245	0.7
124.93711	4.8
142.94789	2.8
170.05750	1.6
295.16391	0.7
313.27280	14.4
464.31241	1.2
482.23428	3.0
482.32089	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	482.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61993	1.1
54.05901	1.1
55.05441	2.8
57.07004	2.0
58.02865	1.1
59.05799	2.2
59.06056	33.9
60.05560	2.9
67.05418	7.5
69.06979	9.1
70.06500	7.3
71.82469	1.3
78.46426	1.4
79.05403	2.2
81.06968	11.4
84.08051	8.8
89.05949	63.3
91.05416	2.2
93.06966	5.4
95.08527	8.9
96.08049	5.3
105.06973	2.6
107.06989	2.7
107.08514	8.3
108.08051	8.2
109.06485	2.1
109.08854	1.5
109.10099	8.9
110.09621	2.3
114.09098	1.4
119.08506	6.9
119.85006	1.3
122.07223	2.0
124.11217	1.4
126.09095	1.7
133.08572	19.7
133.10106	2.3
136.11182	1.9
137.09561	13.7
138.12743	1.3
149.09532	1.5
152.14310	2.7
164.08319	5.9
165.09070	100.0
166.09383	5.4
177.11194	6.7
190.09962	1.7
203.10716	2.8
205.12238	15.0
220.20699	1.8
220.66534	1.4
283.17410	27.5
356.25574	1.7
389.52435	1.6
424.33124	12.3
463.70602	1.4
482.36197	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	5.0
57.07011	61.4
63.57981	0.9
64.45103	1.0
69.06983	5.4
71.08185	2.1
71.08548	45.1
73.06433	1.3
78.53486	1.0
83.08543	2.1
85.10104	21.4
87.04385	1.9
89.05951	100.0
90.06272	1.2
98.98428	1.7
99.11651	1.5
107.06996	4.6
133.08565	41.9
141.38161	1.2
177.11189	13.0
178.01350	1.2
195.12163	1.3
214.18881	1.2
247.62274	1.2
270.14673	1.3
283.17474	35.4
383.17133	1.2
441.62274	1.5
465.37820	20.9
486.79443	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81248	3.6
55.05441	3.4
56.04972	5.0
56.96481	5.7
58.14925	3.6
60.04435	3.6
61.61677	3.2
70.06512	34.0
72.08062	17.9
74.05988	6.5
77.25420	3.3
78.04543	3.5
81.03326	4.0
81.09631	3.7
84.04440	13.3
84.08051	23.4
85.02818	19.5
86.09634	8.2
93.04446	4.2
95.04862	3.8
97.02830	3.7
98.97479	4.5
102.05453	5.9
102.44928	4.0
110.07101	16.1
116.07042	4.9
120.08062	13.6
127.03809	4.5
129.10178	15.2
134.99586	5.1
135.08055	5.4
137.05936	7.4
139.03877	46.1
147.04341	3.7
151.03842	5.4
153.05452	58.1
156.07739	3.9
163.03847	6.3
219.44034	4.1
321.09811	3.9
393.50430	4.0
465.17053	16.8
483.16443	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05454	19.7
56.96508	4.3
58.54931	4.4
67.05418	18.7
69.06992	10.9
70.06506	45.8
72.08061	5.4
79.05400	10.6
81.06985	46.2
83.04903	27.4
84.08072	20.1
86.09633	10.0
88.74201	3.7
91.05404	24.7
92.10242	5.5
93.06982	41.7
95.08509	57.6
105.06972	91.4
107.08544	69.3
109.06484	5.0
109.10104	28.9
111.08044	6.4
117.06984	9.2
119.08524	76.4
121.06479	10.7
121.10107	48.8
123.08002	4.9
123.11658	20.3
125.09586	6.3
129.06911	5.9
129.10233	5.8
131.08504	51.8
131.73199	7.0
133.10117	41.5
135.11621	10.1
137.05960	8.1
139.03883	6.1
140.31284	4.4
143.08557	22.2
145.10117	66.1
147.11635	29.4
156.09291	7.1
157.10052	33.1
158.10857	6.0
159.11658	80.4
161.13245	26.1
169.10136	10.0
171.11644	39.0
173.13229	100.0
175.14760	27.2
177.16325	5.6
179.13448	5.6
179.51035	5.4
181.02570	7.9
183.11671	9.4
185.13287	33.1
187.14790	53.6
197.13184	6.6
198.70590	5.8
199.14760	26.9
201.16405	8.8
205.15820	46.7
213.16258	6.7
213.26833	5.6
219.13747	31.9
219.17450	8.1
225.16386	5.9
227.17851	5.7
231.13766	20.1
233.15324	8.2
241.39691	4.9
272.30103	5.1
365.90302	4.9
391.29898	18.3
437.30417	9.8
483.30914	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	483.344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06042	4.4
59.78262	3.4
71.16601	3.2
72.54588	3.9
81.06962	6.3
83.00972	4.1
89.05950	100.0
95.08530	5.8
97.85323	3.9
100.11298	3.4
109.80480	3.4
114.37553	4.5
114.99381	4.1
133.08586	29.8
188.59370	4.3
219.52896	3.9
221.02312	3.6
235.65897	4.1
283.17517	34.9
284.17853	17.8
423.32227	80.2
483.34033	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07019	0.9
57.82486	0.7
59.06063	0.8
64.89472	0.7
86.19585	0.7
89.05952	16.0
106.45878	0.8
107.07026	0.8
133.08563	5.0
147.09747	0.7
177.11232	0.7
283.17477	6.5
284.17868	1.4
321.75897	0.7
483.38004	100.0
484.38348	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	483.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57262	1.1
54.81944	1.1
54.82203	1.1
57.07011	1.8
57.15691	1.1
66.52655	1.3
66.86864	1.3
89.05952	27.3
90.06289	2.2
93.06977	2.0
102.76124	1.3
103.05424	2.5
105.06964	1.9
107.08576	1.4
109.06464	1.4
109.10077	1.7
120.08064	73.3
120.08926	2.9
133.08545	5.6
148.46445	1.5
165.12695	2.1
169.85574	1.4
195.08090	1.4
254.73296	1.5
283.17383	11.8
284.17783	2.3
410.30264	7.5
453.36969	13.2
483.38364	100.0
484.37943	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	484.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03872	0.9
55.01802	2.9
55.05444	4.3
57.03102	0.5
57.03372	13.5
59.04928	0.4
61.02864	4.1
61.36758	0.6
67.05415	3.3
69.03345	10.0
69.06982	5.3
70.06510	2.0
71.04899	9.7
72.08060	0.9
73.02802	0.6
79.05402	2.7
80.39835	0.5
81.03325	2.7
81.06966	6.8
83.04890	1.3
83.08523	2.6
84.08040	0.9
85.02337	1.2
85.02822	24.3
85.06478	0.9
86.09610	2.3
87.04356	0.9
89.76333	0.5
91.05394	2.7
92.10892	1.1
93.06947	3.5
95.04883	3.0
95.08541	4.9
97.02810	7.3
97.06451	3.5
99.04379	13.2
99.07978	2.2
105.06953	5.5
107.08537	4.9
109.02827	1.0
109.06435	7.0
109.10056	0.8
110.07095	1.0
111.07999	7.2
113.05939	14.0
115.05334	0.7
117.06905	0.7
119.08521	4.3
120.08020	1.0
121.06448	43.3
122.06785	1.0
123.08028	1.2
125.09603	1.0
127.03847	2.3
127.07520	2.3
128.06111	0.7
129.06940	0.9
131.04846	0.8
131.08527	4.1
133.06444	2.0
133.10135	4.3
135.08011	9.8
135.11642	0.5
137.05956	2.8
141.06914	1.1
142.07773	1.0
143.08517	2.9
144.05583	0.7
145.06453	5.4
145.10106	11.1
146.07285	1.0
147.08015	40.3
147.09206	1.3
147.11671	1.2
149.09579	1.3
155.08522	6.2
157.10103	3.0
158.07239	14.1
159.08009	23.9
159.11670	3.2
160.08727	3.2
161.09567	26.6
163.07500	8.2
167.07082	0.9
167.08507	1.0
169.10078	1.4
170.07190	2.4
171.07996	30.8
171.11696	1.1
172.08755	7.3
173.09575	100.0
174.10011	3.3
175.11139	43.4
176.11496	0.6
177.09090	0.7
179.08453	1.2
181.10046	2.5
183.07997	2.7
183.11632	0.9
184.08789	3.7
185.09566	47.2
186.10205	1.3
187.07550	1.3
187.11127	62.5
188.11502	2.6
189.08920	0.9
189.12764	2.8
193.10045	4.1
195.08052	2.9
195.11661	1.3
196.08806	2.6
197.09570	16.2
198.10330	8.3
199.07547	0.9
199.11147	19.9
199.14803	6.9
200.11517	0.6
201.09042	1.3
201.12698	4.1
207.11682	1.2
208.08690	1.0
209.09602	10.1
209.12825	0.6
210.10345	2.9
211.11127	17.6
212.08246	0.9
212.11789	5.4
213.09103	3.4
213.12694	17.1
214.09827	0.9
215.10632	26.1
215.14188	3.4
216.11006	1.4
221.09598	2.4
221.13235	3.0
222.10323	8.0
223.11092	4.9
223.14755	1.2
224.11972	3.0
225.12653	9.2
226.13510	2.9
227.10747	9.5
227.14224	29.2
228.14543	0.8
229.12178	15.3
236.11884	8.8
239.14240	8.8
241.12111	2.0
241.15791	25.2
243.13667	2.3
251.14244	22.1
254.12878	0.8
257.15292	8.2
259.16919	1.0
269.15289	35.5
270.15588	1.1
287.16333	84.3
288.16614	4.3
305.17389	58.9
305.20963	1.3
306.17856	1.9
345.74960	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1057
Annotation	rostratin C
Peak:m/z	Relative Intensity
54.82288	1.5
55.05436	9.6
56.04970	11.2
56.96484	2.3
57.03370	2.1
60.04445	3.5
67.05406	3.4
69.03336	5.8
69.06992	2.9
70.06505	72.7
71.04891	3.0
72.08070	35.6
74.06002	2.6
79.05378	1.8
81.03326	2.0
81.06967	3.8
84.04421	34.3
84.07590	2.9
84.08064	49.5
85.02834	11.0
85.08401	1.8
86.09621	38.9
87.04393	1.7
87.09966	2.3
88.03886	2.5
91.05407	6.9
92.10899	3.7
93.06958	3.8
95.08527	3.0
96.08057	1.5
97.02798	3.9
98.97504	7.6
101.07051	2.3
102.05470	9.4
104.05275	1.7
107.04922	1.5
107.08517	2.5
109.02773	1.5
109.10091	1.8
110.07105	18.7
111.09068	1.4
112.08678	1.9
115.08607	2.8
116.98573	14.3
119.04884	3.4
120.08108	12.0
121.08409	1.9
121.10094	2.5
126.05383	3.1
127.03810	2.0
129.10199	27.8
130.04951	2.0
131.04863	3.6
133.02817	10.3
134.99632	3.8
136.07544	2.5
137.05959	12.6
141.10121	1.6
151.03835	1.9
155.08089	2.2
158.99599	3.7
161.05869	3.2
161.09598	3.7
169.09787	1.7
172.77997	2.1
177.00687	6.4
177.05379	2.4
179.03362	8.5
187.07521	2.1
189.08992	8.5
207.07668	2.0
208.48244	1.6
210.76749	1.5
219.01691	3.7
237.02666	1.8
267.01498	1.5
279.10028	1.9
287.05453	2.4
305.13651	3.1
359.33139	1.8
371.98145	1.8
414.71927	2.2
431.19525	7.3
485.10370	100.0
485.20517	3.1
485.31500	1.7
486.10605	2.7
505.79675	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	485.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81482	1.5
67.05426	2.7
69.03338	2.3
70.06507	11.3
70.19171	1.5
72.08068	2.1
81.06926	1.7
84.04422	2.3
84.08057	3.7
85.02814	4.0
86.09602	2.6
91.05370	2.1
94.06519	2.1
100.45879	1.9
105.76558	1.7
108.08075	22.3
110.05962	3.4
115.48692	1.7
116.98592	2.0
118.06473	3.0
119.07276	2.3
120.08061	9.7
122.06014	3.7
124.07551	12.3
136.07558	100.0
139.03856	16.6
142.08618	7.1
146.05995	4.4
146.08376	2.1
147.06779	2.2
148.07545	2.1
164.05681	2.8
164.07021	36.6
173.10776	2.9
179.07039	1.9
196.11150	2.4
198.11458	3.2
201.10063	2.7
212.09447	2.3
213.10062	3.2
213.13776	2.5
224.10631	1.9
225.10104	3.0
226.10942	13.1
241.09697	3.8
241.13264	24.4
254.10464	7.0
259.14301	15.6
260.67752	2.0
269.12830	29.5
275.99210	2.1
287.13806	22.2
287.34097	1.7
305.14951	59.8
306.14948	2.7
309.09714	2.3
462.64883	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.287
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
53.00230	0.9
55.05452	8.4
57.03373	23.5
57.07011	62.5
58.07360	0.8
67.05419	13.8
67.26088	0.6
69.06982	9.6
71.08544	39.9
81.06973	15.1
83.08527	10.2
85.10100	17.4
89.05951	3.2
95.08533	20.7
97.10107	5.5
98.98393	10.5
99.11626	0.8
103.07494	1.0
109.10106	8.9
123.11652	2.8
128.35362	0.7
155.01019	2.6
239.23515	1.6
257.24652	1.7
258.75052	0.8
313.27295	100.0
314.27661	3.8
321.89087	0.7
328.24203	0.9
342.27643	0.7
363.44473	0.7
396.12308	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00253	0.3
53.99757	0.2
55.01809	1.1
55.05451	4.2
57.03372	3.0
57.06733	0.3
57.07013	7.2
57.49807	0.2
57.60138	0.2
61.02850	0.5
65.03867	0.9
67.05429	2.0
69.03349	3.6
69.06986	4.7
71.01269	0.3
71.04901	1.3
71.08553	0.5
73.02833	1.6
79.05405	6.4
81.03336	0.8
81.06966	5.0
83.04895	1.8
83.08540	1.0
83.61422	0.2
85.02835	3.2
85.06465	5.2
87.04364	0.4
89.05938	0.4
91.05403	70.0
92.05747	1.0
93.06971	3.0
95.04881	0.9
95.08530	1.2
97.02814	0.9
97.06470	0.3
99.04380	0.3
99.08026	0.3
103.03886	0.4
103.05426	0.3
103.07542	0.3
104.06191	4.5
105.06974	14.0
107.08533	1.3
109.06447	2.3
111.04401	0.5
111.08028	4.0
113.49220	0.2
115.03802	0.3
115.04612	0.3
115.07474	0.3
117.06998	0.5
123.08034	0.4
125.09600	1.1
127.07501	3.7
129.09039	0.8
133.10092	100.0
134.10432	2.3
135.08043	0.3
147.08026	3.7
147.09070	0.3
148.99158	0.3
149.09586	12.0
149.10745	0.5
153.09116	2.9
171.10181	3.0
189.11203	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20035	0.8
55.01774	0.8
55.05438	4.8
57.03361	3.5
57.07008	10.3
61.02850	1.2
67.05421	2.1
67.47317	0.8
69.03339	4.8
69.06969	4.4
69.94193	0.8
71.04894	0.9
71.08537	0.9
71.26678	0.9
73.02819	1.3
79.05383	6.9
81.06979	8.2
83.04899	1.5
85.02841	3.1
85.06460	3.6
89.05911	0.9
91.05399	77.2
92.05806	1.0
93.06972	1.5
95.08530	1.7
103.03925	0.8
104.06181	3.6
105.06963	15.7
107.08553	1.0
108.28902	0.9
109.06451	1.4
111.04427	0.9
111.08017	4.3
117.06884	0.9
123.08010	1.4
127.07519	2.1
129.09053	1.8
133.10085	100.0
134.10419	1.4
136.10799	1.0
147.08041	4.0
149.09587	10.5
153.09088	2.2
171.10121	4.8
189.11249	1.1
230.02710	0.9
380.55881	0.9
466.81049	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16931	7.1
54.60320	8.2
54.81375	9.6
55.05437	13.2
67.05423	9.6
69.06978	37.3
79.05360	9.1
81.06982	44.1
91.05410	12.5
93.06974	22.0
94.12205	10.1
95.08544	53.0
105.06979	58.5
107.08552	68.6
109.10067	13.2
119.08515	58.2
121.10104	35.1
123.74147	8.8
131.08540	51.1
133.10057	68.3
135.11641	19.4
143.08493	9.6
145.10092	88.1
147.11678	56.6
148.23265	8.3
149.13289	11.8
159.11676	95.3
161.13234	40.9
163.11143	35.0
163.14760	12.7
171.11642	13.7
173.13214	64.8
175.14735	20.3
177.16345	21.6
185.13132	13.5
187.14784	100.0
189.16341	45.4
189.18076	9.4
197.24899	8.9
205.15775	86.9
210.58846	9.8
222.98657	8.2
233.15347	43.8
266.06271	9.7
282.25766	9.1
379.41812	10.3
393.31479	49.7
439.32074	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	485.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05440	9.3
69.06983	7.8
79.05421	7.5
81.06973	33.9
83.08504	8.5
91.05393	7.5
92.10881	14.5
93.06961	28.1
93.95265	5.5
95.08539	48.7
105.06961	47.0
107.08533	56.4
109.10104	14.4
119.08535	55.6
121.10115	42.0
123.11732	7.7
131.08559	47.3
133.10098	46.3
135.11649	13.0
143.08456	9.0
145.10094	65.9
147.11665	34.9
157.09933	7.0
159.11662	44.8
161.13245	13.6
163.11172	11.9
171.11688	9.4
173.13235	41.9
175.14833	28.8
177.12578	7.6
177.16338	29.7
182.42357	5.9
185.13234	12.2
187.14807	100.0
189.16364	40.4
193.12253	7.5
194.88553	6.7
205.15834	74.6
207.17439	6.7
219.13658	7.2
233.15324	29.7
242.46526	6.4
253.87495	6.7
355.09967	6.0
358.82755	7.3
393.31470	62.6
433.41803	6.8
439.32047	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	485.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51051	3.2
53.03853	3.3
55.05433	22.8
56.04958	5.1
56.96501	4.1
57.06997	7.0
57.53822	3.4
59.47461	3.3
67.05412	20.7
69.03344	5.6
69.06972	25.4
69.16713	3.8
70.06500	36.5
72.08042	6.8
73.04263	3.7
79.05393	22.1
81.06979	52.0
83.08527	9.1
83.47604	3.8
84.04408	6.8
84.08080	39.2
86.09628	42.1
91.05399	23.0
93.06955	40.0
95.08537	53.4
100.11177	5.8
105.06959	57.2
107.08524	59.0
109.10117	31.0
110.07108	6.0
117.06953	4.6
119.08524	49.3
120.08036	9.3
121.10098	56.3
123.11642	8.1
125.09624	4.4
129.10173	9.9
130.07829	4.0
131.08519	44.5
133.10100	55.8
135.11644	23.8
143.08513	6.4
145.10095	66.5
147.11670	40.5
149.09624	5.1
149.13171	17.0
157.10054	19.8
159.11656	67.8
161.13246	29.2
163.11174	4.7
163.14687	6.3
165.09070	6.0
171.11609	8.0
173.13141	35.6
175.14745	36.0
177.16368	36.9
185.13187	19.4
187.14777	100.0
187.91248	3.9
189.16277	21.0
191.17902	5.7
199.14743	18.0
201.16362	16.2
205.12016	4.1
205.15845	75.6
215.14369	5.1
219.13841	8.3
221.12840	4.4
226.55956	4.3
233.15305	26.7
279.15808	6.0
279.23080	4.4
375.30377	4.1
393.31366	40.2
414.87177	4.5
421.30789	6.0
439.32068	37.2
466.27145	4.3
467.31152	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	485.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01429	1.7
55.05441	5.0
58.99040	1.7
63.93415	1.6
67.05412	7.7
69.06994	16.1
69.07305	1.8
70.06506	7.7
79.05395	11.0
81.06978	34.3
83.04868	4.6
83.08521	7.4
83.11993	1.9
84.04431	4.3
84.08083	8.7
86.09628	2.8
91.05404	14.2
93.06982	29.7
95.04858	2.0
95.08532	35.4
97.10079	2.1
105.06981	51.9
107.08530	48.0
108.08829	1.9
109.10117	15.7
111.07940	2.2
117.06989	4.6
119.08533	49.7
121.10098	35.7
123.08048	2.4
123.11655	8.0
126.87383	2.2
131.08519	39.4
133.10092	55.3
135.08034	2.7
135.11658	13.7
141.37180	1.9
143.08537	8.6
145.10101	52.0
147.11649	35.6
149.13237	12.5
151.11079	2.4
157.10120	9.6
158.10902	2.7
159.11662	66.9
160.12044	3.0
161.13188	19.9
163.11119	19.7
163.14780	11.4
169.10005	3.1
171.11685	12.8
173.13220	52.2
175.14812	30.4
177.16339	27.9
182.63026	1.9
185.13220	16.4
187.14784	100.0
189.16348	39.7
190.13519	2.1
193.12093	2.4
199.04459	2.6
199.14784	4.6
201.16371	12.6
203.17896	3.9
205.15839	76.5
206.16107	2.4
207.17410	2.9
215.14342	2.0
219.13715	10.5
221.15419	2.1
233.15321	43.6
243.03409	7.9
245.15224	3.6
318.36041	2.0
375.30508	3.4
393.31442	61.2
394.31860	8.9
411.32190	4.9
421.30984	10.3
439.31931	43.5
443.08032	2.7
467.31363	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	485.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32072	7.0
51.63461	5.1
52.53709	6.1
55.05453	13.0
56.96500	12.6
64.33639	7.1
67.05418	27.8
69.06977	11.3
79.05403	14.7
81.06983	58.4
83.08549	7.7
91.05434	12.4
93.06987	57.1
94.20092	6.3
95.08527	96.4
105.06967	66.9
107.08517	74.4
109.10114	61.5
117.06941	11.1
119.08531	100.0
121.10088	75.5
123.11635	29.1
131.08525	33.8
133.10075	58.4
135.11636	30.8
138.70297	6.7
143.08517	6.3
145.10092	96.8
147.11646	30.9
149.13269	8.8
156.09305	7.0
157.10114	31.7
159.11702	56.1
161.13199	30.2
163.14767	7.3
171.11713	24.5
172.95210	12.0
173.13226	9.4
175.14783	25.7
177.16362	12.8
185.13132	13.4
186.96721	37.5
187.14769	43.1
189.16267	7.3
190.96268	12.3
194.75516	7.5
199.14722	9.8
201.16347	26.2
204.97815	36.8
205.15912	14.8
214.19153	7.4
215.17998	8.0
219.17392	9.1
245.18987	10.0
255.64670	7.2
271.20593	9.2
317.17819	11.1
320.95276	9.0
335.18857	11.8
404.18845	10.2
407.32846	49.0
425.34036	30.6
504.42755	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	63.1
57.03384	10.2
66.31999	11.0
67.05427	23.1
79.05383	21.7
81.03345	15.5
81.06960	22.5
83.08511	10.0
91.05393	24.9
93.06927	45.0
93.85337	10.6
95.01258	18.5
95.04850	17.0
95.08495	18.4
105.03369	17.7
105.06964	46.1
109.06474	16.2
109.10094	14.0
119.08498	46.9
121.10089	15.4
123.89091	11.2
131.08496	17.6
133.06458	16.0
133.10106	16.1
137.27808	14.0
143.08476	13.3
145.06438	15.0
173.06003	13.9
173.09589	14.4
173.13300	15.9
177.01796	11.9
177.49086	11.6
202.41035	12.7
215.10622	21.2
243.10168	25.0
289.10703	17.7
299.56561	11.6
307.11832	14.6
325.12802	97.6
363.14401	15.0
415.21036	76.8
433.21933	65.7
451.23337	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32404	1.9
55.05442	4.6
57.07003	10.4
59.17430	1.9
61.02825	3.1
62.09557	1.8
67.05416	9.4
69.06986	10.1
70.92210	2.1
71.08543	2.8
74.09602	2.1
79.05401	4.0
81.06970	23.1
83.08530	4.0
90.39999	2.2
91.03890	2.4
91.05392	8.7
93.06986	18.3
95.08531	39.7
100.54440	2.5
102.89163	2.1
105.06971	13.7
107.08528	30.2
109.10103	26.0
119.08532	74.1
119.09333	3.6
121.10090	23.7
122.72180	2.1
123.08068	9.4
123.11641	5.3
131.08533	10.2
133.10106	31.7
135.11636	9.9
137.09590	4.2
137.13206	2.2
143.08543	5.2
144.09290	2.6
145.10101	30.3
147.11636	20.3
149.13280	3.8
155.08583	2.5
157.10146	13.3
159.11610	33.6
161.09605	3.4
161.13213	17.7
163.11256	2.6
163.14828	3.2
169.10191	3.7
170.10860	3.3
171.11636	17.4
173.13193	17.5
175.14795	11.3
177.12746	3.9
177.16402	2.7
179.14296	2.6
183.11668	5.5
185.13136	15.6
187.14729	27.1
189.12790	2.7
189.16321	10.7
191.14255	3.4
197.13188	3.5
199.14836	11.7
201.16367	9.6
203.14261	4.7
205.15933	2.6
213.16466	3.6
215.18022	4.0
223.14749	2.4
225.16263	2.5
227.17979	2.7
245.18706	2.6
253.19508	15.6
269.08408	2.3
299.19986	5.2
314.27576	3.7
369.24197	3.9
405.31467	24.9
407.32974	4.3
423.32410	18.4
433.30865	17.9
451.31967	100.0
452.32309	5.5
469.33078	12.3
486.35681	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	487.144
Annotation	Hymexelsin
Peak:m/z	Relative Intensity
53.17207	0.1
58.65996	0.1
59.42853	0.1
60.04480	0.1
62.00261	0.2
69.03338	0.4
69.06979	0.2
70.06493	1.1
70.81538	0.1
72.08053	1.1
76.67270	0.1
77.84923	0.2
84.04401	0.3
84.08060	0.7
86.09620	1.9
89.03836	0.3
105.03324	0.2
122.03578	0.3
129.10214	0.3
133.02812	15.6
137.05933	3.3
143.11746	0.4
149.05930	1.6
150.03104	0.3
156.37134	0.2
165.05428	2.6
178.02559	7.2
193.04913	100.0
194.05205	1.8
355.10318	0.7
422.69321	0.2
486.29724	0.3
486.80124	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76901	0.1
53.03883	0.2
55.05436	0.9
56.04977	0.4
57.03363	1.8
59.04923	0.2
60.04453	0.4
61.02835	0.3
69.03342	0.7
70.02877	0.2
70.06139	0.4
70.06508	7.7
71.04907	8.6
71.06837	0.3
72.08069	2.6
73.02807	0.3
74.05988	0.4
75.04384	0.9
75.50278	0.2
79.05412	0.3
81.03326	0.4
81.36994	0.2
83.04886	1.2
84.04427	2.1
84.08062	4.4
85.02824	12.9
86.06009	0.3
86.09624	3.1
87.04404	0.3
88.03931	0.4
89.03843	0.2
91.03869	0.3
91.05408	0.2
91.07795	0.2
95.04887	0.3
97.02827	1.4
102.05453	0.9
103.05365	0.3
105.03337	0.3
107.04910	0.2
110.07124	2.0
111.04373	0.3
116.07022	0.5
116.98560	0.3
117.09036	0.3
120.08060	1.0
123.04376	9.2
127.03799	0.2
127.07407	0.2
127.08585	0.2
129.05417	1.8
129.06357	0.3
129.10193	3.4
130.04962	0.3
131.04913	0.5
131.84264	0.2
133.02809	8.3
135.04404	1.7
136.07573	0.3
137.05971	0.8
139.03847	0.4
144.08076	1.8
145.04858	0.2
145.08476	0.3
147.04419	0.2
151.03888	4.9
156.07642	0.3
161.19048	0.2
179.03352	100.0
180.03694	1.7
185.04146	0.3
185.16225	0.2
189.05209	1.9
193.04849	0.2
195.18408	0.2
221.07982	0.2
227.10220	0.3
237.02666	0.4
250.08054	0.8
341.08597	8.2
487.17758	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	487.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05432	2.7
55.46821	0.5
56.04960	1.6
56.96498	26.9
57.03368	0.7
57.86011	0.6
60.04444	2.6
61.49394	0.6
62.77720	0.6
65.24216	0.5
66.23512	0.6
69.06976	3.5
70.06138	1.0
70.06506	25.2
71.04891	0.8
71.06822	1.3
71.95165	1.0
72.08066	11.3
74.05969	1.3
81.06973	1.2
83.04871	4.4
83.06019	0.7
84.04417	7.5
84.08070	14.1
85.02813	1.3
85.03883	0.6
86.09145	1.3
86.09626	22.4
87.09972	1.0
87.25481	0.6
88.03920	1.2
91.05393	1.2
92.10909	1.0
98.97507	99.4
101.07051	1.1
102.05476	1.6
104.05258	0.7
105.06980	0.7
107.08524	1.4
110.07102	3.4
110.97501	0.8
111.08046	0.7
112.08709	0.8
116.98562	100.0
120.06515	0.8
120.08050	3.4
120.39702	0.7
128.98572	4.5
129.10217	8.5
133.01712	1.0
134.99617	64.7
135.08002	0.9
136.07535	1.0
140.00163	1.4
146.99596	3.2
153.00662	9.2
153.09059	1.0
158.01210	0.9
158.99609	10.0
159.03261	3.2
165.00595	0.7
173.04823	4.6
177.00656	24.8
177.04276	0.9
180.01698	0.7
185.04779	1.6
189.00653	1.0
191.05875	1.3
195.01706	3.3
195.27199	0.6
199.06354	3.5
208.97734	0.7
209.04802	0.9
219.01711	4.2
224.03549	0.8
225.07916	1.5
227.05910	0.9
237.02806	5.9
239.09480	1.2
242.04588	2.6
247.09816	4.5
253.11153	1.1
265.11035	54.0
266.11356	0.9
271.12057	5.8
283.12097	54.4
284.12308	2.9
288.12613	1.1
301.13077	6.2
306.13638	1.1
307.12082	48.4
308.12076	0.8
325.13153	47.7
326.13388	1.1
343.14249	0.7
348.14771	3.7
362.34848	0.7
367.14194	10.5
427.16299	47.3
428.16821	0.8
445.17499	6.9
487.17896	20.3
488.19305	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00235	0.2
53.03892	1.4
55.01814	1.8
55.05427	0.5
56.04974	0.8
56.96495	0.1
57.03373	2.6
59.04915	0.4
59.06006	0.1
60.04456	0.8
61.02855	0.8
69.03345	14.1
69.06990	0.7
70.06506	5.1
70.70797	0.1
71.01277	0.7
71.04905	4.8
71.06815	0.1
72.08065	2.8
73.02836	0.8
74.05965	0.6
75.04374	0.5
75.05505	0.2
81.03333	14.8
82.06461	0.1
83.05988	0.4
84.04423	2.8
84.08062	7.2
85.02809	0.8
85.08374	0.2
86.09623	5.8
87.04379	0.2
87.05509	0.2
87.09970	0.1
88.03886	0.1
91.05405	0.8
92.10281	0.1
95.05999	0.1
97.02802	0.2
98.05980	0.1
98.97500	0.1
99.04384	5.6
101.07072	0.2
102.05482	1.0
105.04390	0.1
105.91852	0.1
107.04871	0.1
107.08498	0.1
110.07121	2.0
111.53309	0.1
112.03950	0.1
112.07586	0.1
112.08614	0.2
115.08645	0.1
116.03411	0.1
116.04889	0.2
116.07022	0.4
116.98524	0.1
117.05437	1.4
118.06489	3.4
120.06493	0.1
120.08052	1.8
121.06464	0.2
122.07061	0.1
129.06523	0.2
129.10196	4.3
130.04962	0.7
130.06497	0.4
130.08513	0.1
130.10492	0.2
131.39377	0.1
133.06053	0.2
135.08012	0.2
135.09090	0.1
136.07567	0.5
137.05959	0.6
139.03865	0.6
139.04895	0.1
139.08598	0.1
140.04128	0.1
141.10162	0.5
143.11769	0.2
145.04880	0.1
145.07576	5.7
147.05537	0.1
147.09138	8.3
148.06247	0.2
152.14316	0.2
155.08133	0.1
159.09132	0.4
160.07549	0.1
162.07820	1.1
163.08644	1.2
173.07065	11.0
173.12798	0.2
175.08621	6.4
176.05736	0.1
185.07053	0.2
186.12350	0.2
187.08713	0.4
189.10233	0.1
190.07336	0.2
191.08109	100.0
192.08473	1.7
193.04897	1.0
197.12843	0.2
199.08775	0.1
201.12135	0.1
203.08145	0.2
205.09686	0.8
213.10207	0.4
215.11763	0.6
231.11198	0.4
233.09175	1.0
235.05928	0.1
243.11182	0.4
245.09129	0.2
246.87056	0.1
271.10675	0.4
289.11798	1.3
307.12811	16.7
308.13153	0.6
325.13861	35.7
326.14279	1.0
414.25613	0.1
417.07614	0.1
487.28769	0.4
487.78427	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	487.3413
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.05445	17.0
59.54055	2.7
61.85546	2.9
64.83180	3.5
67.05416	20.0
69.03347	4.1
69.06974	14.1
70.06505	22.6
72.08068	4.9
78.44748	3.3
79.05397	16.9
80.69144	3.2
81.06960	51.8
83.04895	16.6
83.08531	5.0
84.08057	18.2
85.02780	3.5
86.09615	16.2
91.05391	24.5
92.10262	3.3
93.06940	32.7
95.08530	58.3
105.06962	76.0
107.08534	59.9
109.06511	5.3
109.10104	26.2
111.07993	3.4
117.06990	4.4
119.08524	75.9
120.08057	5.3
120.08817	3.3
121.10114	35.3
123.11677	26.4
126.17544	3.5
129.10222	5.0
131.08502	40.6
133.10088	53.5
135.08015	5.5
135.11671	15.4
135.24440	3.8
137.09534	4.9
141.84760	3.4
143.08566	15.1
145.10095	82.0
147.11649	33.4
149.13181	5.6
157.10071	21.7
159.11649	40.7
161.13208	29.5
163.14772	14.8
165.09061	38.3
169.10043	6.0
171.11650	15.1
173.13196	28.6
175.14772	43.3
177.16310	6.6
183.11670	4.5
185.13171	25.1
187.14728	53.1
189.16313	28.4
197.13271	4.0
199.14761	20.6
201.16296	26.1
203.14313	7.9
205.15836	100.0
205.24184	3.5
213.16420	4.9
217.15791	7.2
219.17299	12.9
221.15181	3.6
231.17336	6.3
233.19353	3.3
334.12027	3.0
393.30991	3.5
405.31332	18.5
423.32770	23.1
441.33896	4.6
451.32028	28.2
469.32999	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3416
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.05447	12.6
67.05405	7.3
69.03343	3.1
69.06972	12.0
70.06496	14.5
72.08045	5.2
79.05400	21.7
81.06979	49.6
83.04887	13.8
83.08501	3.4
84.04423	5.1
84.08042	5.5
91.05399	23.1
93.06977	34.1
95.08535	49.8
105.06976	81.1
107.08543	41.3
109.06477	3.5
109.10120	25.1
115.05412	3.6
117.06940	6.4
119.08527	70.7
121.06454	8.0
121.10070	31.9
122.06853	3.5
123.11674	24.8
131.08543	37.2
133.10085	42.9
135.11632	14.1
143.08504	14.5
144.09213	3.2
145.10103	73.8
147.11667	24.7
149.13216	5.8
157.10052	21.3
159.11647	48.2
161.09537	4.1
161.13211	20.8
163.14827	5.1
165.08975	7.4
171.11682	12.4
173.13200	30.7
175.11180	3.9
175.14822	40.4
177.16368	14.7
183.11656	4.0
185.13255	26.9
187.14789	56.2
189.16360	18.8
191.14330	3.6
197.13284	3.8
199.14775	19.9
201.16321	24.6
203.14345	8.2
203.17766	3.5
205.15829	100.0
213.16324	5.6
219.17323	6.0
231.17384	4.3
321.92365	3.4
338.96750	3.6
405.31421	14.0
423.32291	14.2
441.33252	6.3
451.32043	32.9
469.32910	19.1
487.18872	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82288	7.1
55.05446	44.2
56.55927	7.2
57.03368	8.2
62.73624	7.7
67.05427	9.8
68.47675	9.2
69.03305	8.3
69.06983	16.0
70.06495	11.6
79.05419	9.3
80.23123	6.9
81.06966	44.0
83.08524	15.0
86.09674	7.8
91.05400	16.6
93.06971	46.5
94.24285	10.5
95.08554	68.2
100.11173	43.9
105.06970	51.5
107.08555	67.3
109.10097	33.3
111.04323	10.1
116.98550	10.0
119.08533	78.1
121.10088	57.7
131.08545	12.9
133.10094	51.1
135.11649	38.2
142.07881	9.6
143.08485	8.9
145.10101	81.9
147.11671	35.9
157.10091	11.2
159.11649	52.7
161.13251	35.5
163.14804	7.9
165.09088	100.0
173.13223	37.5
175.14810	45.3
182.15410	12.2
185.13280	31.2
187.14725	37.2
189.16370	35.3
199.14774	18.6
201.16405	37.4
205.15909	66.6
219.17389	15.0
405.31619	10.6
423.32596	32.8
441.33484	16.5
451.32004	12.4
466.50842	10.9
469.33008	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	487.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	11.3
56.96477	4.8
57.07019	5.0
59.04926	4.7
59.07048	3.9
60.49363	3.8
67.05426	10.7
69.06981	26.1
74.29150	4.4
79.05387	10.7
81.06971	31.5
81.07457	4.4
83.08534	10.8
87.20629	6.1
91.05407	10.2
92.10814	8.9
93.06980	34.5
95.08540	46.0
105.06994	53.0
107.08540	62.9
109.06456	5.0
109.10085	31.3
111.08035	6.7
117.06972	6.9
119.08535	100.0
121.10098	68.5
123.07980	7.1
131.08533	26.3
133.10072	63.0
135.08035	18.9
135.11668	32.3
143.08499	5.8
145.10110	75.3
147.11658	34.2
149.13199	7.0
157.10062	22.0
159.11650	68.5
161.13217	28.6
163.11211	9.0
163.14760	9.0
171.11627	9.6
173.13187	19.1
175.11165	6.7
175.14809	26.2
177.16364	23.8
183.11804	4.9
185.13226	10.2
187.14774	43.6
189.12640	5.7
189.16322	42.6
189.78021	4.9
199.14745	27.1
200.37238	4.8
201.16373	18.9
205.15811	54.9
207.17296	6.6
213.16307	7.1
217.12094	5.3
217.15814	30.4
351.37357	5.2
405.31204	9.2
423.32431	96.0
424.32721	5.5
429.17203	8.4
451.31909	19.5
469.33218	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3604
Annotation	Lys Ile Val Lys
Peak:m/z	Relative Intensity
55.05446	0.7
56.89746	0.7
60.05569	1.5
60.41165	0.6
73.57959	0.7
91.05421	1.1
91.09875	0.8
107.59205	0.7
124.04907	0.8
133.10089	1.1
242.87785	0.9
272.50613	0.8
487.35980	100.0
488.36234	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	488.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46864	1.4
52.80443	1.4
54.81697	1.6
55.01805	1.7
56.04956	1.6
58.99504	6.9
60.93222	1.7
69.03354	2.9
70.06481	8.6
72.08054	9.4
74.05962	1.6
76.01739	3.4
76.02138	54.9
76.03911	1.7
82.22350	1.5
84.04417	26.8
84.08040	10.5
85.02820	4.0
86.09615	8.0
86.98976	2.1
91.05394	16.1
92.34054	1.6
97.02801	14.9
98.89590	1.8
103.05398	14.5
116.01617	9.0
116.98621	2.3
119.04877	28.2
129.10202	6.7
130.04956	7.0
131.04883	30.3
134.99580	2.3
137.05949	100.0
138.06300	2.1
142.03180	4.5
144.01106	7.3
147.07538	2.1
151.07518	26.8
153.23093	1.9
162.02167	22.1
163.07460	2.9
170.02716	2.4
177.00597	2.1
179.04839	20.2
181.07365	1.7
181.08582	24.1
181.12010	1.7
231.04941	1.8
233.05835	7.0
240.98047	2.0
302.07385	1.9
302.62943	1.9
308.08997	41.1
474.57574	2.1
475.79074	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	488.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80137	0.2
53.13829	0.2
53.61664	0.3
55.01809	0.3
56.04968	3.5
56.71874	0.3
57.03363	0.5
58.49472	0.3
62.86314	0.3
69.03349	2.2
70.06520	1.2
72.08051	0.3
73.02827	1.1
74.02341	4.7
81.03322	0.3
84.04424	100.0
84.08060	3.5
85.02830	5.5
85.04751	2.8
85.94833	0.3
86.09628	1.5
87.04387	0.5
88.03908	4.4
92.10899	0.6
97.02825	2.2
98.05984	0.3
98.80911	0.3
98.97551	0.5
99.77098	0.3
101.07159	0.3
102.05473	28.7
105.47958	0.3
108.46189	0.3
110.07131	1.3
110.83701	0.3
115.03929	0.4
116.03385	1.6
116.98531	0.5
123.05511	0.3
127.03938	0.6
129.10208	1.2
130.04962	44.0
130.08614	0.7
131.03409	0.6
131.05331	2.2
133.04974	0.4
134.04422	4.1
136.06203	0.7
145.05008	0.4
147.07596	5.4
148.06015	48.9
158.99626	0.4
177.00739	0.6
182.03377	0.5
219.01706	0.8
237.02673	0.5
250.51707	0.4
265.05960	0.6
379.08551	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11377	1.3
53.24347	1.3
53.91992	1.6
54.25359	1.5
55.05447	4.1
56.04971	2.1
57.03366	6.8
57.63398	1.6
60.04445	1.8
60.58136	1.4
61.02850	3.7
69.03357	13.1
69.06993	3.4
70.06504	37.0
70.23475	2.0
71.04900	2.7
72.08081	15.8
73.02822	2.7
77.03819	1.4
79.05405	7.3
81.03342	3.8
81.06965	6.8
84.04414	8.3
84.08064	28.8
85.02825	34.3
85.80175	1.8
86.09619	29.8
88.03953	3.3
91.05415	9.7
93.06997	3.0
95.04893	3.6
95.08559	6.4
97.02828	9.0
97.06472	2.4
98.97544	2.6
102.05484	3.6
103.05437	3.8
105.06984	20.8
107.04966	2.0
107.08504	3.2
110.05996	2.2
110.07115	14.7
111.04384	3.0
114.09107	3.5
117.06965	3.0
119.08555	11.7
120.08046	10.1
121.06460	3.7
121.10126	2.5
127.03876	3.7
129.06950	8.4
129.10185	14.7
131.08519	12.0
133.06465	9.5
133.10114	4.1
135.08043	3.7
135.11665	1.6
136.07555	4.0
137.05934	14.6
142.07764	3.9
143.08556	34.9
145.04921	2.1
145.06467	2.9
145.10136	15.2
147.04385	2.5
147.08046	8.2
147.11636	7.6
149.05957	14.4
156.09341	11.8
157.10123	11.0
159.07985	3.4
159.11650	18.8
161.05977	12.4
161.09589	7.9
161.13242	7.8
163.03880	34.7
163.07425	2.2
163.11177	2.8
165.09166	2.4
169.10083	2.3
171.08089	3.3
171.11633	31.3
173.02588	1.7
173.09560	10.0
173.13118	4.0
174.90199	1.7
175.07462	2.2
175.11122	9.2
177.05452	11.4
177.09024	1.9
181.10103	8.6
183.11676	2.6
184.08717	1.9
185.09560	2.4
187.07526	2.0
187.11156	10.9
189.05373	7.8
189.09082	4.3
189.12665	17.0
191.10616	2.4
199.07381	2.5
199.11137	36.3
201.09161	2.1
201.12511	3.3
203.10632	19.7
205.12201	7.4
211.15268	2.1
215.10722	7.6
217.08690	2.1
217.12215	36.9
224.30571	1.8
227.10623	40.4
233.11736	15.8
235.13123	2.1
241.96767	1.8
245.11658	71.9
251.12750	4.3
261.11191	4.1
273.11142	3.8
279.12201	6.9
291.12222	37.4
309.13272	100.0
310.13782	2.7
361.02338	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05818	0.7
55.05444	4.7
56.04964	8.8
56.96492	2.0
57.03362	0.8
60.04455	5.9
64.51864	0.8
67.05405	0.9
69.03342	3.7
69.07001	5.7
70.02869	1.2
70.06506	41.4
70.16093	0.7
71.04886	1.5
71.06834	1.5
72.08064	25.3
73.02821	1.5
74.02366	1.7
74.05988	7.5
81.03313	1.3
82.06479	0.8
83.06013	3.5
84.04420	24.4
84.08060	28.9
85.02831	3.3
85.08379	0.9
86.09622	100.0
86.58269	0.8
87.05511	4.0
87.09959	1.4
88.03928	9.4
91.05384	4.4
95.04890	8.5
95.06019	1.3
96.04397	1.5
96.08044	1.2
98.02361	1.6
98.97519	2.9
100.03940	1.1
101.07063	3.4
102.05481	10.0
102.98186	0.8
103.05396	1.5
110.07108	9.0
112.08699	3.4
113.07063	1.4
114.05481	0.8
114.10234	0.8
115.08627	3.5
116.98544	3.9
120.08064	4.2
121.06412	1.6
123.04340	7.5
127.04982	1.1
129.06552	4.0
129.10194	16.0
130.04976	5.3
130.10541	0.9
133.06038	9.4
134.04456	1.9
134.99602	1.2
136.07567	1.5
137.05939	1.3
138.05444	0.8
138.09094	1.4
140.04700	1.8
140.08144	1.7
141.06589	1.7
141.10197	5.2
143.11807	1.4
147.04379	0.9
147.07622	1.9
149.00322	0.9
149.05942	1.9
153.00729	1.1
155.07007	2.0
155.08176	0.8
156.10168	4.2
158.99521	0.9
167.06973	1.6
170.06020	1.0
170.11636	0.8
171.11263	1.0
173.12958	0.9
177.00674	1.9
177.05447	3.2
181.08479	1.1
183.06487	5.2
183.11192	1.4
187.10777	3.3
191.08171	5.7
192.08412	4.2
197.12790	4.1
201.08789	0.8
201.12296	24.4
209.08087	3.1
215.13882	10.1
219.34749	1.0
229.11870	5.7
236.87334	0.8
242.15144	1.3
243.13362	4.5
246.14413	5.3
260.16086	1.1
261.43115	0.8
325.13867	1.0
326.14105	1.4
327.14413	1.1
338.74402	0.9
356.21732	1.0
361.30508	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37576	3.9
51.26642	3.5
52.56387	3.9
54.81705	4.7
55.01801	20.4
55.05429	24.4
56.95831	3.8
57.07001	7.1
61.24231	4.0
67.05432	57.0
69.03342	9.3
69.06970	29.4
71.88018	4.4
73.92796	4.2
79.05402	36.3
81.03334	5.4
81.06964	68.5
83.04877	7.7
83.08511	9.3
85.02840	5.1
85.10088	10.9
87.84106	4.4
90.03571	4.5
91.05396	39.6
93.06960	30.4
95.01236	10.1
95.04903	7.9
95.08526	36.9
97.02763	5.7
97.06454	5.5
103.05363	7.3
105.03345	6.9
105.06947	42.4
107.04919	7.4
107.08519	26.2
109.06493	4.9
109.10072	7.1
111.04414	7.9
117.06960	9.0
119.08517	42.0
121.06419	10.2
121.10059	20.8
123.04333	6.2
123.07993	9.7
123.76411	4.5
125.02341	5.5
129.06964	8.9
131.04855	5.0
131.08524	32.4
133.06432	9.6
133.10114	11.6
135.11650	5.4
139.03842	5.5
143.08556	5.0
145.06384	11.1
145.10081	18.1
147.07982	9.6
147.11641	19.5
149.02286	6.9
149.09508	5.8
151.03912	6.1
157.10040	5.5
159.08044	5.7
159.11613	6.0
161.05960	10.1
161.09593	5.2
161.13132	6.9
163.03885	8.7
165.05507	9.1
165.12685	7.6
171.08061	5.2
171.11703	5.3
173.05861	7.3
173.09518	5.8
175.03845	7.6
177.05402	21.4
183.07959	7.1
189.05447	21.5
189.09120	6.8
191.07100	4.9
197.09550	7.7
201.05318	6.6
215.10629	8.0
233.11613	29.3
243.10132	10.4
245.11642	7.0
289.10522	6.1
325.12656	65.5
369.20392	18.8
381.20331	8.2
387.21301	24.6
389.23099	8.2
390.63821	5.1
399.21396	31.7
407.24390	5.0
417.22623	72.2
435.23688	100.0
453.24637	39.9
455.51749	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	489.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57603	0.3
56.04966	2.4
64.58489	0.3
65.49923	0.2
75.04401	0.3
79.26630	0.3
84.04424	100.0
84.08062	11.6
85.02824	1.4
85.04754	0.5
85.06494	0.3
101.07073	6.6
102.05470	9.2
111.83629	0.3
116.71751	0.2
128.31795	0.3
130.04961	99.0
130.08592	5.1
131.05316	1.1
135.22249	0.3
145.01076	0.3
147.07619	56.1
147.11247	4.8
148.06020	10.7
195.14304	0.3
419.81363	0.3
506.81891	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57603	0.3
56.04966	2.4
64.58489	0.3
65.49923	0.2
75.04401	0.3
79.26630	0.3
84.04424	100.0
84.08062	11.6
85.02824	1.4
85.04754	0.5
85.06494	0.3
101.07073	6.6
102.05470	9.2
111.83629	0.3
116.71751	0.2
128.31795	0.3
130.04961	99.0
130.08592	5.1
131.05316	1.1
135.22249	0.3
145.01076	0.3
147.07619	56.1
147.11247	4.8
148.06020	10.7
195.14304	0.3
419.81363	0.3
506.81891	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84516	0.5
54.03173	0.5
55.05435	2.9
56.04962	1.1
56.96499	13.0
57.03362	1.2
59.75352	0.5
60.04446	0.6
67.05417	1.0
69.03336	2.7
69.06976	3.0
70.02881	0.9
70.06502	21.4
72.08073	7.1
74.05986	1.1
79.05437	0.8
81.06964	4.0
81.30628	0.6
83.04879	1.0
83.05983	0.9
83.08543	0.9
84.04430	7.9
84.07595	0.7
84.08068	11.4
84.95942	1.3
85.02823	3.0
86.09626	17.7
87.09984	1.0
88.03926	1.1
91.05380	1.3
93.06985	1.5
95.08534	3.9
97.02806	1.3
98.97505	21.8
101.07056	0.9
102.05489	2.8
104.05228	0.6
104.42872	0.8
105.06970	2.8
107.04839	0.7
107.08538	4.1
109.06451	1.0
109.10106	5.8
110.07121	6.2
110.97513	2.3
116.07044	0.9
116.98568	20.4
119.08524	3.1
120.08022	4.6
123.11660	4.0
127.03896	0.8
128.98540	7.5
129.10191	7.9
130.06511	1.2
131.00156	1.0
132.08051	1.0
133.10109	2.8
134.99635	11.9
135.08070	0.9
135.11653	4.0
136.07556	3.4
137.09581	1.1
140.71233	0.8
143.01904	0.8
146.99622	7.2
149.01173	1.2
149.13248	1.0
153.00664	1.0
158.99608	5.3
159.09109	0.9
161.01186	2.4
165.00665	0.9
175.14777	4.1
177.00677	6.5
179.02246	0.8
189.00647	2.4
193.15869	3.5
195.01758	0.8
201.12329	0.7
207.10463	0.8
211.06375	0.8
211.15150	0.6
211.16876	6.0
213.07945	1.0
215.05891	0.7
219.01686	7.0
222.52539	0.7
229.07440	4.1
231.08946	0.7
231.15862	0.7
237.02766	21.6
243.08995	1.2
247.08394	0.9
249.11641	3.2
253.06897	0.7
253.10919	0.9
255.03763	1.4
265.10873	0.9
267.12540	11.9
269.16025	1.3
271.12119	3.3
273.13599	3.6
279.12677	0.7
283.12045	7.0
285.13654	80.0
286.13983	2.5
293.16016	1.0
294.10413	2.8
297.13541	2.3
301.13202	1.0
303.14706	28.3
308.15063	2.2
309.13611	14.1
310.13931	0.7
311.16989	2.7
313.13138	2.9
321.19055	3.2
321.69354	0.8
323.16769	0.9
327.14706	25.1
339.14743	0.8
350.16296	0.7
369.15799	1.5
402.21506	1.1
402.71667	0.8
413.20386	0.8
429.17871	100.0
430.18054	3.7
447.18869	1.4
489.20813	4.3
489.26550	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2092
Annotation	Ala His Phe Asp
Peak:m/z	Relative Intensity
50.95863	0.4
55.05445	0.5
55.69744	0.3
59.90004	0.4
61.00009	0.4
63.17961	0.4
67.05434	0.4
70.06511	5.4
72.08064	0.5
72.56237	0.5
73.05299	0.4
76.84827	0.4
78.84101	0.4
79.05421	0.5
81.06963	0.8
84.04441	0.7
84.08076	2.1
85.02808	0.6
86.09626	3.7
88.72608	0.4
93.06949	0.5
95.08524	0.7
105.06932	0.4
105.18607	0.4
107.08537	0.8
120.08053	1.7
129.10226	0.6
134.99666	0.5
135.11667	0.5
137.05957	0.6
137.09598	0.5
145.34891	0.5
165.09097	2.4
179.44029	0.5
182.55080	0.4
183.14882	0.8
209.54517	0.4
327.15756	0.5
489.20862	100.0
489.33871	4.0
490.21323	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3184
Annotation	Ser Val Lys Arg
Peak:m/z	Relative Intensity
54.84082	2.8
70.68237	3.7
75.32069	3.0
82.46095	2.7
89.05963	3.9
104.99185	3.3
117.58480	3.2
136.06157	22.1
179.65413	3.3
215.71996	3.7
488.35995	5.5
489.31467	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65126	2.9
55.01803	3.4
55.05443	24.6
55.48899	2.9
57.06989	4.1
67.05424	28.6
69.06990	31.9
79.05398	24.4
81.06966	49.0
82.16052	3.6
83.04876	6.0
83.08548	7.1
91.05424	29.9
92.10844	3.9
93.06973	54.7
95.08538	83.1
97.06453	4.0
105.06979	58.9
105.24673	4.1
107.07864	5.6
107.08539	100.0
109.06451	7.6
109.10106	44.2
111.08049	5.9
117.06969	13.8
119.08530	88.6
121.10090	55.7
121.28047	3.5
123.11639	14.4
125.09635	27.5
129.06931	4.1
131.08527	45.2
133.10104	73.1
135.07976	4.9
135.11644	22.0
143.08565	17.1
145.10089	71.5
147.11664	37.4
149.13197	14.1
157.10043	19.8
159.11655	69.3
161.13208	25.1
163.11180	6.0
163.14796	14.6
171.11629	6.4
173.13211	32.4
175.14841	33.4
175.18289	3.7
177.16306	16.8
184.12468	4.2
185.13194	4.4
187.14742	46.5
189.16335	61.9
191.17906	7.3
199.14673	13.2
201.16360	64.3
203.17928	18.8
205.15918	27.8
213.16325	20.3
215.17894	28.8
219.17400	18.7
247.16829	4.4
261.18402	8.9
324.47650	4.5
351.20154	4.5
374.20383	4.6
379.33585	3.8
389.32043	7.4
400.21347	3.9
407.32990	55.8
418.22958	15.3
425.34100	7.7
432.82666	4.0
435.32343	19.2
436.23837	19.2
453.33459	25.4
501.06915	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	489.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02726	2.5
53.67432	2.1
54.81634	2.8
55.05437	15.0
57.06982	2.6
67.05441	20.9
69.06979	24.7
79.05400	18.5
81.03326	4.7
81.06975	57.7
83.08551	21.8
83.76144	2.9
84.89687	2.5
91.05398	28.0
92.10835	3.2
93.06978	54.2
95.07954	5.0
95.08532	89.9
105.06973	82.9
107.08541	100.0
109.10107	47.8
109.84218	3.0
117.06949	18.3
119.08531	85.1
121.06437	3.8
121.10100	71.0
123.08017	3.9
123.11639	17.0
131.08511	38.8
133.10094	69.7
135.11682	39.1
143.08519	13.7
145.10115	92.3
147.11658	55.1
149.13217	15.8
157.10112	11.4
159.11664	63.7
161.13206	33.1
163.11179	31.3
163.14787	21.5
165.12712	3.4
169.10092	3.3
171.11597	5.7
173.13245	38.2
175.14774	45.2
177.12703	4.3
177.16322	42.5
179.14255	6.9
179.79533	2.8
183.11664	3.4
185.13199	15.8
187.14783	57.9
189.16368	84.9
191.14215	4.2
191.17899	14.9
199.14740	14.4
201.16383	86.8
203.17874	18.1
205.15868	79.5
207.17369	13.7
213.16351	4.6
215.18036	3.7
217.15819	3.4
219.17383	40.0
247.16821	4.3
295.23999	3.8
313.25320	4.1
389.31985	4.6
395.32922	3.9
407.33017	73.3
409.34308	4.4
425.34097	52.8
435.32413	12.9
443.34964	12.5
453.33652	45.8
454.33682	4.2
471.34253	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75402	1.3
55.05449	15.9
57.03378	2.1
57.07000	3.4
67.05423	17.9
69.03339	2.3
69.06989	16.3
76.56647	1.2
79.05395	19.6
81.06973	56.3
83.04896	3.3
83.08527	16.4
85.02809	1.8
86.09615	2.1
91.05396	21.3
93.06971	38.7
95.04893	2.4
95.08532	75.0
97.06478	1.8
97.10062	3.1
105.06976	66.5
107.08533	89.7
109.06486	2.1
109.10108	38.9
111.07998	3.1
111.33650	1.7
117.06950	14.3
119.08533	82.9
120.08842	1.5
121.10095	61.2
122.10470	1.9
123.08021	3.2
123.11658	13.7
125.09626	1.5
129.06966	3.0
131.08527	41.5
133.10095	55.3
135.08031	2.0
135.11653	38.6
137.09615	2.7
137.13231	2.4
142.07825	1.6
143.08545	8.4
144.09319	2.4
145.10101	78.2
146.10721	2.0
147.11661	48.6
149.09511	2.8
149.13231	21.1
151.11148	2.4
157.10110	9.2
158.10858	2.4
159.10416	2.9
159.11655	56.2
160.48723	1.6
161.11977	2.1
161.13223	41.3
163.11140	29.1
163.14748	23.6
165.09062	3.6
169.10059	1.8
171.11623	7.0
172.12352	1.9
173.13216	29.4
175.11186	1.5
175.14783	50.2
177.12755	3.3
177.16344	39.1
178.16656	2.3
179.14352	2.0
183.11652	3.3
185.13275	11.6
187.14772	48.0
189.16341	85.7
190.16592	2.6
191.14313	7.9
191.17944	12.6
199.14761	9.5
201.16359	78.2
202.16655	2.3
203.14279	7.1
203.17903	18.6
205.15842	100.0
205.17780	3.3
206.16121	2.6
207.17418	19.3
213.16374	5.5
215.17950	9.4
217.15848	3.4
219.17392	34.1
221.15364	1.7
227.17897	1.7
229.19502	3.3
247.16866	2.9
313.25140	2.9
334.64072	1.6
389.31873	7.6
395.33029	8.8
407.32959	78.2
408.33264	8.9
409.34708	2.4
413.33301	1.8
425.28506	2.4
425.34082	46.0
426.34061	3.5
435.32263	15.2
443.35074	16.6
453.33615	45.5
454.33856	3.2
471.34552	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	489.357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	17.0
55.10943	1.3
55.16705	1.3
57.07009	3.3
57.64761	1.7
65.70039	1.4
67.05422	19.3
69.06982	25.0
70.06514	1.5
71.04919	2.3
79.05402	22.5
80.90927	1.8
81.06968	66.1
83.04895	2.8
83.08517	15.9
84.89043	1.5
91.05390	27.1
93.06965	51.8
95.04896	3.5
95.08527	91.3
97.06500	1.8
97.10088	8.1
105.06966	72.5
105.07652	2.9
107.08534	98.9
109.06471	2.9
109.10101	46.5
109.79308	1.5
111.08013	2.1
117.06969	15.3
119.08531	96.9
121.06457	6.9
121.10095	74.2
123.07985	2.8
123.11648	16.6
131.08528	43.0
133.06473	1.9
133.10091	73.1
135.08000	3.6
135.11638	44.0
137.09560	7.1
137.13216	3.6
143.08545	12.3
145.10097	99.1
146.10628	1.6
147.11661	60.9
149.09660	2.2
149.13248	16.0
157.10063	11.6
158.10866	2.1
159.11649	70.7
161.11868	1.7
161.13200	41.6
161.14474	2.9
163.11139	41.6
163.14772	21.4
165.12662	3.2
171.11650	9.9
172.12305	2.1
173.09525	1.6
173.13193	31.8
174.05545	1.6
174.13933	2.1
175.14787	52.6
177.12675	3.0
177.16341	48.8
179.14278	6.7
183.11612	2.9
185.13225	19.1
187.14767	61.3
188.15173	1.6
189.12801	2.0
189.16325	100.0
191.14246	7.2
191.17924	10.6
193.15875	2.1
199.14818	13.8
201.16333	92.4
202.16710	3.1
203.14211	3.9
203.17949	22.8
205.15840	97.4
205.17770	3.2
206.16238	2.2
207.17438	15.5
213.16255	3.8
215.17886	6.9
217.15862	3.1
217.19405	1.6
219.17392	42.6
223.16768	2.1
227.17892	3.3
229.19418	2.6
233.15477	1.9
233.18903	1.8
247.16867	6.8
255.20949	2.3
260.71985	2.0
302.58789	1.9
305.22687	1.8
348.49078	1.8
389.31744	3.6
395.32892	11.3
407.32935	86.8
408.33157	6.4
425.34061	53.1
426.34460	2.8
435.32477	24.3
443.35086	17.0
453.33521	56.8
454.33542	2.1
471.34985	11.1
512.71484	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.357
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48127	4.3
55.01817	5.0
55.05432	9.7
67.05428	18.0
69.03336	12.5
69.06966	20.9
70.06506	9.0
79.05406	17.6
81.06965	59.0
83.04887	6.7
83.08537	9.6
84.04406	6.3
84.08060	7.1
85.02811	6.9
86.09633	7.9
87.04382	6.4
91.05405	30.5
93.06967	44.1
95.08526	83.1
97.02810	5.8
97.06461	4.8
104.29250	5.0
105.06982	69.1
107.04892	5.2
107.08533	100.0
108.08825	5.6
109.10104	50.3
115.03861	6.1
117.06963	11.4
119.08540	95.0
121.10094	70.6
123.11649	9.3
131.08531	34.1
133.10098	80.6
135.11684	40.4
143.08604	5.7
145.10107	95.3
147.11667	49.3
149.13223	9.7
159.11638	60.5
161.13237	39.9
163.11110	10.7
163.14778	6.8
165.09102	11.2
171.11659	7.5
173.13223	32.9
175.14813	44.5
177.16338	30.8
179.14305	7.3
187.14790	52.7
187.17778	5.2
189.16348	72.9
191.14194	6.8
199.14833	5.7
201.16383	77.0
203.17908	22.8
205.15825	85.0
207.17371	7.8
213.16327	6.7
215.17995	8.0
219.17357	35.7
241.19690	5.9
285.13660	6.1
404.76520	5.4
407.32962	59.1
425.34006	43.5
435.32504	11.0
443.34753	12.3
453.33502	50.0
456.65341	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	489.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96107	4.1
55.05439	12.5
67.05421	23.7
69.06976	25.6
70.06497	9.8
79.05404	20.8
81.06969	63.2
82.34595	4.8
83.08526	6.0
91.05386	12.4
93.06963	33.0
95.08524	70.9
105.06969	58.7
107.08524	68.8
109.10110	42.0
112.41170	6.2
115.93553	5.2
116.44399	4.7
117.06985	6.6
118.81221	5.5
119.08537	100.0
121.10123	47.0
131.08517	35.3
133.10104	45.2
135.11688	21.8
137.09602	6.0
143.01015	5.3
145.10098	64.9
147.11644	25.6
149.13293	6.9
152.17085	5.3
159.11671	71.2
161.13194	30.5
163.11156	20.9
163.14729	7.6
171.11684	7.1
173.13225	23.1
175.14758	31.7
177.16327	25.2
187.14795	63.8
189.16368	37.6
191.17860	7.1
201.16418	36.1
203.17928	8.7
205.15825	75.8
213.16310	12.4
219.17313	13.1
254.04277	5.4
259.98169	5.7
407.32895	43.0
408.52988	6.0
425.33875	11.2
431.18396	7.3
453.33383	33.9
471.34039	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	489.357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78662	3.8
55.05442	10.9
62.87885	3.8
65.59244	3.6
67.05418	18.2
68.28534	3.5
68.65334	4.4
69.06970	28.2
70.06491	28.0
79.05398	24.8
81.06970	72.6
83.08517	16.7
84.04439	4.0
84.08052	5.4
86.09618	37.5
91.05384	35.4
93.06968	45.0
95.04833	4.6
95.08527	95.2
103.01651	4.1
105.06963	79.1
107.08525	96.8
107.41160	4.1
109.06472	7.7
109.10092	46.5
117.06960	26.6
119.08517	85.9
120.08036	10.9
121.06412	5.3
121.10079	69.1
123.08092	5.7
123.11628	20.3
131.08530	41.4
133.10095	79.4
135.11641	35.8
137.05930	7.0
137.09579	5.7
145.10092	100.0
147.11674	49.5
149.13257	10.7
157.10097	10.7
159.11685	72.1
161.13202	45.6
163.11115	31.2
163.14795	20.6
165.09105	10.9
171.11627	9.7
173.13284	35.1
175.14812	49.1
177.16316	42.5
179.14299	8.5
185.13231	10.4
187.14778	67.7
189.16362	78.2
191.10806	4.7
191.14406	5.2
191.17891	10.5
199.14796	9.0
201.16312	82.5
203.17915	20.0
205.15811	93.3
207.17403	6.5
215.17938	8.6
219.17395	50.1
407.33017	74.0
409.34360	4.4
425.34085	60.2
435.32144	6.7
443.35016	9.5
453.33432	47.3
471.34421	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	489.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	1.8
55.05447	14.7
57.07008	5.8
67.05428	20.3
69.06983	21.1
71.04883	1.3
79.05411	19.2
81.06974	54.1
83.08528	10.6
85.25632	1.4
87.04407	1.5
91.05400	22.1
93.06970	41.7
94.07288	1.4
95.04899	2.5
95.08531	84.4
96.08865	1.9
97.06429	1.8
97.10077	2.1
99.08027	2.3
105.06970	72.6
106.07301	2.1
106.25948	1.5
107.08532	87.9
109.06470	2.9
109.10104	44.0
111.08039	2.2
117.06956	15.0
119.08535	81.2
120.08849	3.1
121.06451	2.7
121.10091	71.8
122.10484	1.8
123.07996	2.9
123.11624	11.8
125.09571	1.7
130.07794	2.0
131.08527	39.9
133.10095	60.7
135.08037	2.2
135.11653	39.2
137.09576	6.8
137.13222	3.0
143.08516	11.7
144.09325	2.4
145.10094	90.4
146.10535	3.5
147.11662	48.6
148.12210	1.8
149.02319	13.1
149.09521	2.7
149.13240	21.3
151.11125	3.8
157.10083	9.7
158.10880	2.6
159.11649	64.7
161.13216	46.6
163.11139	38.1
163.14787	23.2
165.12613	2.5
167.07022	2.1
169.10081	1.6
171.11588	8.1
172.12331	2.1
173.13223	35.2
175.14786	47.4
177.12662	6.5
177.16350	38.7
178.16693	2.5
179.14252	6.4
183.11789	2.4
185.13237	16.5
187.14781	53.3
189.16339	85.6
191.14246	6.8
191.17838	11.9
193.04919	3.5
193.15915	2.3
199.14819	13.4
201.16345	88.1
202.16655	3.1
203.14243	2.9
203.17899	23.1
205.15842	100.0
206.16194	3.2
207.17407	19.6
211.14775	1.7
213.16301	3.4
215.17908	9.1
217.15921	4.4
217.19453	2.7
219.17397	34.1
221.15381	2.2
223.17018	2.2
227.17978	1.7
229.19377	2.9
231.17270	1.8
233.15393	2.6
233.18967	1.6
241.19421	1.8
247.16846	3.5
313.25089	2.2
349.55508	1.7
389.31836	8.9
395.32858	6.7
407.32993	73.3
408.33264	7.0
425.34027	48.4
435.32327	12.9
443.35089	12.0
453.33572	46.2
454.33847	2.4
471.34348	7.0
473.14108	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	490.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87114	0.2
55.05436	0.4
55.80309	0.3
56.04982	0.4
56.96486	0.3
57.03360	1.5
60.04444	2.2
67.05412	0.3
69.03350	4.1
69.06991	0.5
69.59924	0.3
70.02895	0.3
70.06513	3.8
71.06803	0.3
72.08068	5.3
74.05987	1.3
84.04410	2.8
84.08070	2.9
85.02830	3.8
86.05976	1.3
86.09146	0.3
86.09627	5.5
87.04385	2.6
87.05516	0.3
88.03909	0.3
97.02821	2.8
100.07529	0.5
102.05473	0.7
105.05326	0.3
107.04885	0.3
109.02805	0.4
110.07130	2.5
115.03870	1.7
116.98546	0.5
120.08068	0.7
123.04378	6.6
129.10159	1.8
130.04985	0.5
133.02794	5.4
133.04932	1.3
134.99576	0.4
135.04379	1.6
137.05969	0.6
151.03899	3.0
165.00027	0.3
179.03346	100.0
180.03679	1.6
184.13725	0.3
201.12331	0.4
202.95583	0.3
211.00691	0.4
220.77605	0.3
225.99229	0.6
237.02689	0.4
238.99983	0.5
241.01558	0.6
341.08582	17.4
342.08841	0.4
415.15289	0.3
431.88675	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54446	0.8
53.76303	0.9
54.85322	0.7
54.88963	0.9
55.08252	0.9
56.96503	1.1
63.77897	0.9
65.20712	0.9
77.36060	0.9
79.05369	0.9
87.40833	1.1
96.25435	0.9
102.92506	1.9
130.27455	1.1
136.93092	6.8
154.94128	22.7
172.95190	100.0
190.96240	94.6
195.96823	5.8
208.86818	1.0
208.97369	1.8
210.96753	10.4
213.97888	4.0
228.97810	34.0
230.99318	1.5
246.98888	6.0
313.20389	1.8
331.21631	3.6
393.16855	2.4
411.17886	1.2
431.18396	2.2
449.19614	48.8
450.19968	1.8
467.20721	16.4
490.22281	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	490.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35460	0.7
56.96497	1.7
64.33698	0.9
67.05431	0.8
81.06950	1.0
83.13770	0.8
92.10943	1.1
93.06964	1.4
95.08518	1.4
102.92525	1.3
103.27975	0.9
107.08549	1.3
108.95171	1.1
119.08556	2.0
120.08883	1.0
121.10023	1.0
130.75296	1.0
136.93076	5.6
150.71851	1.0
154.94131	20.1
154.95209	1.5
172.95198	100.0
190.96251	87.3
190.98029	2.3
192.99924	1.0
194.92140	0.9
195.96782	4.5
208.97400	1.9
210.96762	9.4
213.97852	3.7
216.97871	1.1
228.97794	32.5
230.99319	1.1
233.98422	1.6
246.98840	6.7
251.99330	1.1
331.21533	1.9
393.16974	4.7
394.60187	1.2
421.18213	1.1
431.18860	4.9
445.86731	1.1
449.19632	45.4
450.20105	1.8
467.20486	16.9
473.69882	1.1
490.22000	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	490.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49335	0.6
56.96492	1.3
69.03333	1.0
69.06979	3.1
70.06139	1.1
70.06506	34.1
72.08059	0.8
84.04420	6.2
84.50742	0.6
85.02823	3.8
86.09622	71.6
87.09953	0.9
87.75377	0.6
97.02798	1.2
98.97536	0.9
102.05466	3.0
104.72825	0.6
116.07037	100.0
116.98596	1.3
122.03784	0.6
125.41283	0.6
130.04933	3.0
134.99588	0.7
148.06003	4.0
187.02676	3.1
201.04276	1.1
205.03772	1.4
211.99930	0.8
224.93228	0.7
229.15419	41.2
230.15865	1.1
355.17517	0.7
404.50677	0.8
491.08072	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78043	0.3
53.00215	0.5
53.03857	0.4
54.82473	0.4
55.01780	0.8
55.05417	0.4
56.04938	0.6
57.03368	10.8
59.04884	1.7
60.04427	0.4
61.02819	0.4
69.03343	25.6
70.06499	6.7
71.01244	0.3
71.04871	0.4
72.08064	3.4
73.02793	0.8
73.94345	0.3
74.05980	2.8
74.09601	0.7
75.04350	2.3
81.03284	1.5
82.06441	0.6
84.04426	2.6
84.08061	5.3
85.02821	26.5
86.09615	5.4
87.04390	10.5
87.05443	0.5
91.76252	0.3
92.04871	1.5
93.05640	1.5
94.06453	0.7
97.02813	13.4
99.04335	1.5
102.05355	0.3
103.03864	3.7
103.05339	2.1
104.05229	0.4
108.04369	0.5
109.02760	0.8
110.05943	0.7
110.07061	1.9
115.03879	6.3
116.07031	0.5
119.06007	21.3
120.06755	0.6
120.08011	0.6
121.03896	0.4
121.07475	0.7
122.05950	0.7
123.06710	1.9
124.03822	0.5
127.03889	4.5
129.06868	0.7
129.10196	2.7
131.04869	6.0
131.08496	0.7
133.04826	2.2
133.05913	0.6
135.05450	0.6
136.06270	0.8
136.07368	0.4
137.05936	1.4
137.07024	3.6
138.05443	0.6
141.06898	0.6
145.04846	0.8
147.04387	0.6
147.05493	15.8
148.03824	3.3
148.06273	70.7
149.07066	62.0
150.05403	1.6
150.07356	1.6
151.07530	0.5
151.08603	2.1
157.04893	0.4
157.06404	0.9
159.07904	1.8
162.06599	0.4
163.06003	0.6
163.07468	2.3
164.05757	3.2
165.06548	48.2
166.06076	0.5
166.07344	10.2
168.06570	0.5
174.06673	0.7
175.05991	0.5
175.07411	0.8
179.08102	64.4
180.08466	1.5
186.06750	0.6
189.08995	1.8
191.10701	0.7
197.09167	63.7
198.09465	1.5
201.09006	1.4
207.07359	1.2
227.06856	0.4
240.03017	1.5
240.07520	0.5
254.09308	0.7
256.14828	0.4
258.04099	0.5
262.22742	0.4
263.12741	0.7
268.07196	0.5
270.08841	0.5
277.09003	0.5
282.08868	0.4
283.09610	2.6
293.13596	0.6
297.11255	1.8
357.13159	1.8
359.14377	100.0
360.14740	4.3
371.14703	0.4
431.17181	0.6
473.21594	0.8
491.18570	43.7
492.18774	3.0
502.78369	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05433	1.3
56.96495	1.9
64.33550	1.3
69.03343	7.2
69.12050	1.3
70.06513	15.3
72.08063	10.7
74.02326	1.0
77.69002	1.0
81.38325	1.0
82.06456	1.1
83.67223	1.1
84.04420	7.9
84.08045	6.4
85.02835	9.0
86.09612	4.8
92.10864	1.1
97.02802	8.2
97.69646	1.1
98.97488	1.9
99.04361	1.7
100.11177	9.4
102.05460	1.5
103.03861	4.9
110.07096	1.7
115.03844	1.8
116.07065	4.5
116.98557	2.3
120.08047	7.1
127.03877	2.1
161.01164	2.0
175.11938	2.5
177.00658	2.2
189.00731	1.9
227.17500	2.6
249.15617	2.1
265.13074	100.0
266.13290	2.2
382.75992	1.2
432.11679	1.8
466.05963	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05437	0.9
55.52830	0.8
56.96498	41.7
57.03368	1.6
63.16975	0.9
67.94955	0.8
69.03349	5.9
70.06509	9.8
72.08061	7.9
74.97538	1.9
81.03321	1.6
84.04434	6.1
84.08075	5.3
84.95949	19.4
85.02827	8.1
86.09629	5.7
87.04383	1.8
89.57410	0.9
97.02827	7.2
98.97509	49.9
98.98375	5.1
101.13259	1.0
102.96996	4.6
110.07122	2.3
110.97498	8.2
112.99120	1.5
115.03894	2.3
116.98570	53.7
124.99121	3.7
128.98558	30.2
129.10178	2.2
131.00101	7.0
134.99619	31.4
135.04366	0.9
137.05965	1.5
140.98589	5.4
143.00131	28.5
144.98047	1.7
146.99634	33.8
147.03282	2.2
149.01178	7.4
152.98573	7.2
153.00690	4.1
155.00177	1.0
158.99614	31.4
161.01180	65.8
162.99112	4.3
165.00687	6.4
170.99614	21.9
173.01219	1.7
174.99146	4.1
175.02798	2.3
177.00659	48.4
179.02206	16.0
182.99545	1.0
183.03340	1.1
185.01190	9.2
189.00662	23.7
191.02203	1.2
193.00096	1.6
195.01723	9.7
201.00670	15.9
201.04312	8.4
203.02293	8.8
207.01700	7.3
213.04274	1.7
215.02402	1.3
215.05923	2.3
217.00160	1.3
219.01714	35.5
219.05339	1.4
231.01778	1.2
231.05237	1.6
232.11583	1.7
237.00710	1.9
237.02754	52.8
245.03232	1.5
249.00653	1.5
255.01465	1.5
255.03795	6.2
260.04471	1.1
273.06439	2.3
291.07489	9.6
312.20609	1.2
315.03738	4.0
318.08493	21.0
333.04889	6.6
351.05942	17.1
369.07034	1.6
405.10376	3.5
432.11664	100.0
433.12009	2.3
450.12845	24.8
492.13644	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	492.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00245	0.8
53.03889	1.7
54.11183	0.5
55.01811	4.6
55.05436	0.8
55.62951	0.6
56.04967	2.7
57.03375	6.0
60.04461	0.7
61.02861	0.9
64.33912	0.8
67.16343	0.6
69.03353	64.3
69.06999	0.8
70.06515	16.1
71.04912	2.6
72.08069	4.6
73.02821	1.3
74.05967	1.2
81.03337	4.1
83.04900	1.0
84.04436	4.4
84.08077	9.3
85.02833	100.0
86.03149	0.6
86.05989	1.1
86.09625	9.2
87.04399	4.0
91.05405	1.6
93.06944	0.7
95.04917	1.4
95.32087	0.6
95.81189	0.7
96.04427	0.7
97.02829	72.4
98.08406	0.7
98.97528	0.8
99.04390	31.2
103.03883	57.9
104.07039	0.8
105.06960	0.6
107.04916	0.9
107.08549	1.1
109.02845	10.5
110.07095	3.0
110.38255	0.7
114.05460	1.2
115.03083	1.0
115.03889	31.4
116.07043	4.3
119.73757	0.7
120.08105	4.8
121.06507	0.7
123.04381	3.7
127.03886	43.5
129.10182	4.9
131.04941	2.7
133.10069	1.2
135.11662	0.8
137.05940	1.1
140.04688	5.1
145.04939	16.8
151.03899	0.9
157.04918	7.6
163.06007	14.8
175.05997	12.5
177.01831	4.1
179.10715	0.8
181.04863	1.0
197.11717	5.4
199.06006	0.9
205.04816	0.8
223.06027	1.7
229.07091	3.4
237.03017	0.9
241.06989	3.5
259.07974	3.3
277.09183	17.5
348.06229	0.8
452.93234	0.7
491.31827	4.4
492.32214	3.1
499.62732	0.7
513.46478	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.174
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81541	0.4
55.39237	0.4
56.04974	69.0
61.01078	31.6
62.36598	0.5
67.44068	0.4
67.56709	0.4
70.06512	0.8
73.86406	0.4
74.02360	3.7
74.05981	4.7
80.69609	0.5
84.04429	0.8
84.08077	2.1
85.02813	3.0
87.02615	9.1
102.05476	20.8
102.42101	0.4
104.05265	97.3
105.03699	0.6
112.05083	0.5
119.04893	0.8
122.25400	0.5
123.04372	1.1
128.29161	0.4
133.03152	76.6
134.03523	0.5
136.06163	0.5
136.07549	3.1
150.05814	100.0
151.06056	0.8
165.05460	2.9
177.76842	0.5
180.06575	0.4
182.08051	1.2
227.75562	0.7
281.95221	0.4
348.93240	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.184
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06609	0.6
54.81461	0.7
56.04966	4.7
57.03361	1.7
57.80793	0.6
60.04457	0.9
60.05581	58.5
61.01057	1.0
63.39116	0.9
69.00837	6.5
69.03358	5.6
70.06494	6.3
72.08067	3.1
74.05984	2.0
74.31566	0.7
81.52930	0.7
84.04421	6.5
84.08061	16.2
85.02820	6.8
86.03475	59.3
86.09637	10.3
87.04375	0.9
95.99706	0.8
97.02807	4.2
98.97491	1.1
102.05466	1.1
104.05267	6.9
109.02794	0.8
113.07049	4.0
115.03883	1.2
116.07006	3.2
117.05701	1.8
120.04418	19.4
124.30483	0.8
129.10188	3.2
130.06461	1.6
132.04393	5.1
134.05966	1.7
137.05977	0.9
141.05563	1.2
141.06575	26.5
149.01149	0.8
158.05968	1.5
164.02266	0.8
170.11774	1.0
171.51636	0.8
173.07021	0.9
173.09294	0.9
174.07857	10.3
187.14320	1.4
201.06601	1.3
206.06818	13.3
207.07210	0.9
217.09827	1.0
230.09232	7.4
232.10753	14.1
242.15314	0.8
245.07349	0.8
258.08670	57.5
259.09109	1.3
260.10239	23.5
278.11307	100.0
279.11624	1.4
286.08154	48.8
330.20178	1.5
389.14230	3.1
407.15521	46.3
433.13113	4.2
492.18179	7.1
492.24850	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	492.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00230	0.5
55.01805	0.8
55.05443	0.6
56.04962	0.7
57.03374	7.4
59.04921	0.6
60.04457	1.5
61.02829	0.4
69.03348	24.5
69.06964	0.4
69.41307	0.4
70.06142	0.8
70.06506	18.3
72.08076	5.6
74.05992	0.7
75.04385	2.2
81.03308	0.8
84.04426	3.3
84.08069	6.4
85.02827	21.1
86.05975	0.7
86.09605	3.7
87.04391	12.4
88.03905	2.3
91.05413	0.6
91.45891	0.5
95.04873	0.9
97.02823	18.1
98.05966	1.9
98.97528	1.6
99.04379	2.8
102.05474	1.0
103.03901	4.3
103.05402	40.6
104.78316	0.4
109.02815	1.0
110.05991	0.5
110.07108	4.3
110.28690	0.4
111.04389	0.5
112.07536	0.5
112.08671	0.6
115.03890	11.4
120.08064	3.4
120.24812	0.4
123.04382	2.9
126.05471	0.9
127.03855	4.3
129.10202	3.6
130.04948	0.6
131.04889	100.0
132.05150	0.6
133.04945	6.8
136.06166	0.6
136.07570	0.8
137.05937	0.6
139.03886	1.8
145.04936	2.4
147.04468	0.8
150.07623	1.7
156.07608	0.6
163.06134	1.7
163.07494	25.7
164.07806	0.5
175.06059	0.6
187.78040	0.5
200.37024	0.5
237.02716	0.7
277.09055	1.6
354.68729	0.6
405.14099	0.5
407.12079	0.6
431.52106	0.6
468.73709	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08516	5.6
55.05445	14.2
65.05692	7.0
67.05111	5.5
67.05415	63.7
69.06979	16.8
77.10453	8.2
79.05403	72.3
81.06974	69.7
91.05401	12.6
93.06971	72.6
95.04910	9.3
95.08535	49.0
105.06977	41.8
107.08540	48.2
109.10129	11.1
119.08523	16.6
121.10098	35.6
133.10074	13.4
135.11633	27.5
149.13237	9.6
175.31941	7.3
201.46381	6.5
210.67902	7.2
219.57298	7.6
234.20258	7.0
284.29269	7.2
294.40787	7.2
366.05856	8.1
443.38806	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00244	2.1
53.81898	1.1
55.05450	18.8
57.03368	12.0
57.07010	98.2
59.22822	1.2
59.31912	1.2
61.02851	3.2
62.71448	1.2
67.05426	30.1
69.06988	23.3
71.08546	77.5
79.05392	2.7
81.06969	37.4
83.08544	31.6
85.06465	1.5
85.09626	2.4
85.10104	34.5
92.10875	4.6
93.06989	3.1
95.08525	56.9
95.09138	1.9
97.06459	1.6
97.10107	14.6
98.98416	12.6
109.10106	23.0
111.11645	2.1
121.10068	2.6
123.11643	9.8
128.73552	1.5
155.01024	11.0
213.00146	2.6
237.02507	2.0
239.23659	36.8
257.24774	6.3
294.78949	1.5
313.27301	100.0
314.27686	1.7
331.28329	6.4
339.28906	15.9
387.75446	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18416	2.4
55.05444	15.0
56.50958	2.7
57.03370	6.1
57.06743	4.7
57.07012	100.0
65.26511	2.8
67.05436	25.3
69.06976	16.2
71.08546	67.0
74.07761	2.7
75.15786	2.7
81.06966	32.8
83.08546	27.6
85.10110	36.4
95.08525	49.9
96.61587	3.3
97.10118	12.1
109.10075	15.0
123.11629	6.5
173.89645	3.4
239.23589	32.6
257.24933	3.4
292.27213	2.8
313.23727	4.2
313.27298	99.4
331.28250	3.1
340.59619	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	493.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74511	4.8
53.03878	6.6
55.01809	4.4
55.05451	35.5
56.13186	4.1
57.03366	4.7
57.07016	4.9
67.05430	85.0
69.06986	35.9
76.71605	4.1
78.46683	4.2
79.00281	3.9
79.05398	66.7
79.06702	5.3
81.03326	9.6
81.06973	100.0
83.04890	9.0
83.08530	25.3
89.84956	4.4
90.18922	4.3
91.05397	31.6
93.06965	78.7
95.04885	26.7
95.08539	66.0
97.06455	22.5
105.06976	40.4
107.04939	6.2
107.08538	37.8
109.06455	8.8
109.10081	37.5
111.07973	6.7
117.06964	8.3
119.08539	24.7
121.10128	35.8
122.37074	4.7
123.08004	28.2
130.04596	4.6
131.08479	20.7
133.10065	9.4
135.11641	19.2
143.08530	10.2
145.10094	19.2
148.45926	4.8
149.13258	5.5
150.05090	4.9
218.81195	5.4
357.28192	5.4
361.37653	5.1
375.28894	6.7
439.35745	42.7
457.36743	60.5
493.28717	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	494.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03893	0.5
54.81785	0.4
55.01793	0.7
55.05439	1.8
56.04953	2.5
57.03368	4.6
57.48038	0.4
59.04898	0.6
60.04450	0.8
61.02828	0.5
62.05987	0.4
69.03343	13.3
69.06974	0.5
70.02858	0.5
70.06135	0.7
70.06503	13.7
70.54443	0.4
71.04863	0.4
71.06818	0.5
72.08058	6.6
74.05981	0.9
75.04346	0.6
81.03333	2.6
84.03934	0.9
84.04418	16.6
84.08055	11.3
85.02824	12.9
86.09620	9.3
87.04385	6.6
88.03879	0.7
90.05494	0.5
91.05402	1.7
92.10886	0.8
95.04897	0.5
97.02823	9.0
98.97469	0.6
99.04379	1.9
101.07040	0.7
102.05486	3.4
103.03886	0.9
105.06966	1.7
107.04877	0.5
109.02773	0.5
110.07114	5.1
112.08627	1.9
115.03876	6.5
116.07044	0.9
119.04823	0.5
120.08049	6.8
123.04357	1.8
127.03854	3.3
129.10184	5.8
130.05019	0.6
130.06487	24.6
132.06757	0.6
133.02811	1.1
133.04948	4.9
133.06459	3.3
135.04335	0.7
136.07555	2.4
137.05936	9.0
139.03883	0.7
141.06584	0.6
143.11737	0.5
145.04900	0.9
145.06482	0.5
146.05988	1.8
147.07706	0.5
151.07545	0.9
153.06505	0.9
157.07573	100.0
158.05986	1.1
158.07976	2.7
165.09053	2.9
175.08640	1.7
177.05267	0.6
177.08937	0.5
177.10298	0.6
178.02580	0.8
179.10674	0.7
181.06038	2.3
183.10121	1.9
185.06984	3.5
189.09026	1.0
193.04890	7.4
205.04704	1.8
243.89174	0.5
255.33714	0.5
261.10980	0.6
268.10730	6.4
279.12155	1.8
286.11771	9.6
296.10205	7.4
314.11252	37.3
315.11429	1.0
332.12323	0.6
493.16516	0.5
494.17056	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03424	0.9
53.33871	1.0
57.03369	16.3
65.03833	1.4
68.77616	1.0
69.03341	2.8
70.06501	1.3
71.04904	88.3
72.08060	1.4
73.02817	2.1
75.04370	5.7
83.04895	9.5
85.02821	100.0
86.06001	1.4
86.09631	2.4
86.97626	1.0
87.04375	2.7
92.10774	1.5
97.02801	4.6
98.97505	1.7
99.04361	2.3
103.03898	2.2
104.07015	2.1
110.03580	1.4
111.04380	13.9
116.06997	1.3
125.05929	2.2
127.03866	2.4
129.05437	22.7
146.06015	1.9
147.06465	8.6
151.03842	7.5
169.04958	10.2
188.07109	1.2
261.07544	1.7
269.54877	1.4
279.08630	1.4
301.59351	1.4
357.85574	1.3
385.02005	1.2
385.62167	1.2
434.64285	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	8.4
55.01819	2.0
55.05454	2.2
56.04972	4.0
57.03376	7.6
59.04894	0.9
60.04466	1.8
61.02857	5.7
62.04221	0.9
66.00742	0.8
69.03356	20.8
70.06511	23.6
71.04911	20.4
72.08073	10.3
73.02836	9.6
74.05981	1.9
81.03335	23.8
82.06488	1.3
83.04912	4.7
84.04428	11.3
84.08070	20.3
85.02832	100.0
86.09638	9.0
87.04411	3.7
88.03899	7.0
88.51659	0.9
89.16038	0.9
90.05482	1.9
91.05408	1.8
95.04902	1.1
97.02826	48.5
98.06026	1.1
99.04388	61.8
102.05489	1.6
103.03884	94.1
107.04900	7.0
108.04410	3.9
109.02149	1.8
109.02831	27.3
110.07115	6.6
111.04403	9.3
113.62234	1.0
115.03894	1.4
116.07024	1.4
119.04946	1.0
120.08080	1.7
121.06459	1.2
123.04402	5.5
125.05948	1.8
127.03878	90.9
129.05428	2.3
129.10201	7.7
130.04991	1.1
131.04890	6.5
133.06422	1.0
135.04373	1.6
136.07564	4.9
137.06012	1.5
139.03893	17.5
144.08063	7.9
145.04951	38.8
145.08484	1.0
146.56409	0.9
147.04433	4.2
147.06561	1.0
149.06021	1.7
151.03853	1.4
153.05435	1.9
159.09239	0.9
162.65292	0.9
163.03885	6.5
163.06006	15.5
169.04935	8.2
169.07535	1.1
171.06522	7.8
171.09184	1.7
177.01793	4.0
177.05450	4.1
181.04942	4.6
183.06584	4.5
187.06024	2.2
195.06502	6.5
198.74190	0.9
201.05638	1.5
205.04965	4.0
205.06978	1.5
207.06586	2.4
209.08080	2.0
212.00049	1.3
213.07603	6.0
233.08214	1.4
237.07491	12.1
247.08105	13.0
261.07553	13.2
271.08096	2.0
279.08566	14.3
289.09198	1.7
297.09518	2.2
407.12216	1.5
518.89178	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45330	0.5
55.05457	0.5
57.05307	0.4
60.08094	10.0
62.06018	0.9
69.06973	0.7
71.07288	4.0
79.05386	0.6
81.06959	0.5
83.08553	0.7
83.39501	0.5
86.09625	45.9
89.38914	0.5
98.98399	3.6
104.10658	3.2
124.99961	31.7
163.74011	0.5
173.48227	0.5
184.07300	100.0
185.07596	0.7
216.06497	0.6
449.74048	0.6
476.31314	0.7
494.32480	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	494.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32565	0.6
54.33092	0.6
55.05455	9.7
56.04977	0.7
57.03372	2.7
57.07006	5.2
57.29656	0.7
58.06542	0.9
60.08092	17.2
61.02856	0.7
67.05428	10.7
69.06985	11.1
71.04895	0.8
71.07288	8.4
71.08557	0.9
73.02805	0.8
77.56558	0.6
79.05396	6.8
81.06975	11.6
83.04897	0.9
83.08533	8.1
86.09624	71.5
91.05383	1.0
91.19766	0.9
92.10233	1.4
93.06963	9.1
95.08541	7.1
97.06451	5.3
97.10072	4.7
98.98415	6.1
103.70316	0.7
104.10672	78.3
105.06941	0.8
107.08536	6.8
109.10102	6.3
111.07971	1.4
114.37808	0.7
121.10097	10.8
123.11649	3.8
124.99957	43.5
135.11652	8.2
139.11136	0.8
145.50310	0.7
149.13246	2.9
163.14743	0.8
165.09149	0.9
168.60980	0.7
184.07301	100.0
205.19525	8.0
223.20541	6.6
241.21584	3.8
260.04239	0.8
297.24084	3.8
308.87402	0.8
311.25427	0.9
315.25269	4.9
337.27350	1.2
358.12073	0.8
473.59406	0.9
476.31076	6.5
494.32352	23.0
495.18530	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08093	9.9
62.06020	1.5
63.10651	1.1
63.59812	1.0
67.09557	1.1
70.16599	1.2
71.07277	2.0
79.05373	1.4
81.06958	1.8
82.45664	1.1
86.09626	53.7
98.98384	2.9
100.09988	1.4
104.10656	5.9
108.02718	1.2
124.99957	38.3
134.71512	1.3
172.95210	1.8
184.07307	100.0
494.32410	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01816	5.2
55.05449	18.7
56.04964	8.7
57.03366	39.1
60.04445	4.1
62.50641	3.8
67.05425	38.9
69.03330	7.8
69.06980	17.2
70.06501	100.0
70.78823	3.4
72.08068	34.4
73.20570	4.1
79.05395	17.7
81.06970	34.2
84.04429	21.3
84.08057	37.9
85.02833	8.5
85.06467	16.8
86.09610	54.3
88.03939	5.0
91.05408	32.1
92.10827	7.4
93.06971	32.2
95.04868	20.6
95.08538	35.2
97.06453	4.2
105.06986	28.3
107.08515	17.1
109.06464	8.9
109.10075	5.6
110.07108	21.7
117.06995	8.4
119.04874	16.6
119.08556	7.2
120.08065	32.4
121.06455	17.3
125.48672	4.6
128.06151	5.1
129.10181	14.6
131.08490	7.8
133.06418	6.3
133.10114	5.3
136.07535	5.3
141.06924	8.3
143.08540	6.9
149.05984	6.8
155.08484	8.7
165.06952	9.1
166.04942	4.7
166.07751	7.2
167.08492	19.2
169.06401	6.9
171.07933	8.2
178.07762	5.8
179.08507	19.7
183.08032	10.1
187.07625	5.3
193.10219	5.7
195.07964	17.6
197.09610	10.0
197.50507	5.5
204.09302	4.7
205.10199	7.4
207.08023	5.5
207.11687	8.3
209.09483	8.7
211.11026	4.0
215.06848	4.8
216.09300	4.5
219.08032	5.6
219.11670	6.5
221.09686	9.3
223.11087	9.4
225.09007	16.9
229.10152	5.7
231.11731	6.0
232.08850	5.8
233.09589	7.2
233.13173	4.7
233.79228	4.1
235.11089	8.8
239.10565	6.6
241.10211	4.8
243.11627	6.4
245.09569	15.9
247.11079	18.7
247.14632	4.8
249.08833	4.6
249.12668	19.6
251.10634	5.7
256.12436	6.6
257.13144	7.0
258.10385	4.5
259.11154	21.8
260.11826	7.7
261.08899	5.5
261.12628	17.3
267.13638	6.9
271.11041	6.6
273.12799	7.2
275.14175	6.8
277.12332	7.4
279.13898	5.5
283.11172	6.2
285.12543	9.0
287.10492	6.5
289.12115	5.7
299.14069	8.9
301.12024	5.0
301.15631	4.6
303.13654	7.5
305.11584	4.7
315.17340	5.1
316.10950	4.6
321.14825	5.5
327.13635	6.8
357.18353	5.5
371.19998	9.1
379.30136	4.9
381.18005	5.4
389.21158	6.8
399.19391	26.3
417.20245	21.3
421.19516	4.9
445.19659	5.5
447.21509	18.8
449.22870	8.8
450.31625	4.3
459.21454	20.3
477.22522	72.8
495.23184	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79940	1.3
52.78258	1.3
55.68037	1.4
70.50728	1.5
71.45451	1.4
73.42645	1.3
95.08549	2.1
98.17805	1.4
121.97343	1.8
173.80367	1.6
182.17432	1.6
203.88364	1.5
223.65428	1.7
233.07678	2.2
237.53157	2.0
242.34975	1.7
495.23291	3.2
495.30615	100.0
496.30710	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	495.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81625	2.3
68.86597	1.9
71.68257	2.1
104.89244	2.4
112.69299	2.9
123.07986	2.3
127.80394	2.2
154.45061	2.5
207.08923	2.4
495.30615	100.0
496.31293	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	496.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05430	20.7
56.96494	9.1
57.03384	4.7
64.80595	4.0
67.05411	7.5
69.03345	6.5
69.06990	6.7
70.06477	8.4
81.06955	28.1
85.02821	21.7
91.05394	7.3
91.13225	4.3
92.10246	8.3
95.08523	30.2
96.41045	4.1
98.97535	8.1
105.06924	8.4
105.44022	5.5
109.10077	6.4
114.28296	4.9
116.98541	25.5
119.08514	10.2
134.99556	5.5
139.11140	9.7
145.06441	6.1
147.08029	100.0
158.07219	5.2
159.08000	20.3
159.11522	4.9
161.09521	20.7
171.07941	8.1
173.09552	51.5
175.11156	7.1
177.91193	6.0
185.09537	32.0
187.11115	38.7
197.09593	48.1
197.13274	6.0
199.11174	35.4
210.10410	4.5
211.11165	40.3
225.12686	34.5
239.14268	38.3
241.15770	28.3
241.44707	4.6
274.97375	8.2
281.18985	91.7
292.98550	8.9
299.19952	99.1
474.10831	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	496.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03351	0.4
54.82032	0.5
57.06998	1.1
58.06503	0.5
60.08092	10.1
60.97265	0.4
71.07266	3.6
76.06167	0.5
77.64931	0.5
83.45200	0.4
86.09620	47.4
91.82926	0.4
95.08516	0.8
98.98383	4.0
104.10678	4.9
119.08501	0.5
124.99950	32.2
127.74439	0.5
145.78967	0.6
184.07288	100.0
185.07617	0.9
185.54269	0.6
224.65372	0.5
259.30341	0.5
310.08969	0.6
313.27069	0.7
345.83679	0.5
444.28754	0.5
478.32996	0.7
496.33887	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	496.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32872	0.8
52.82950	0.7
57.07003	5.1
58.06536	1.2
60.08089	22.8
67.38979	1.0
71.07296	8.5
71.08533	1.5
86.09623	76.3
98.98385	5.1
100.93111	1.3
104.10671	100.0
124.99951	43.6
163.01433	1.4
170.62970	1.1
183.76347	1.0
184.07297	92.8
380.22232	1.0
404.73935	1.0
478.32547	7.5
496.33893	37.1
497.33765	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	19.5
57.07017	6.2
64.33509	3.2
64.85844	3.2
67.05421	16.3
69.06985	25.0
70.06530	3.6
78.93950	3.6
79.05407	18.5
81.06979	63.5
84.08060	19.7
89.05956	79.5
91.05375	7.3
93.06963	28.4
95.04892	4.0
95.08527	33.7
105.06979	19.3
107.08532	24.3
108.08070	6.8
109.10088	16.8
112.07571	5.7
114.37704	4.5
119.08526	16.6
121.10100	16.4
122.09639	3.9
123.11593	5.8
133.08578	24.0
133.10092	8.5
135.11667	5.9
136.11180	5.5
137.09573	17.5
138.09120	5.0
142.25136	3.7
145.10107	5.2
147.11662	7.8
148.19025	3.9
149.13353	4.3
164.08246	5.6
165.09074	100.0
177.11151	3.9
179.10738	4.0
188.11597	4.1
189.08980	4.5
203.10672	5.6
205.12204	8.5
277.02640	4.7
283.17477	43.4
333.77841	3.8
405.75195	3.7
478.33279	29.5
496.34293	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	497.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	4.3
56.04969	4.4
60.04437	1.5
69.03345	4.4
69.06988	4.0
70.06508	40.9
72.08071	20.2
74.05997	1.7
81.06980	1.4
82.06525	1.0
84.04433	9.9
84.08067	30.7
84.08526	1.7
85.02832	7.6
86.09629	20.7
87.05511	1.6
88.03923	1.5
91.05420	4.7
93.06952	1.3
95.08543	1.0
97.02858	1.4
98.97548	0.9
99.04358	1.3
102.05490	2.3
102.20715	0.9
103.05434	1.3
104.05263	1.0
105.85868	1.0
109.10151	1.4
110.07108	13.5
112.08703	1.0
113.07178	1.1
115.08685	0.9
116.07035	1.2
117.06997	1.5
120.08041	9.6
127.03864	1.1
129.10188	14.4
130.05013	1.3
136.07565	3.9
137.05991	5.6
139.03885	3.8
153.05405	1.4
159.09183	2.2
167.06969	6.6
173.12946	1.5
177.00641	1.1
177.05467	1.7
179.14517	1.1
185.04260	4.3
188.07170	1.0
221.04208	0.9
231.80791	0.9
233.08330	1.1
243.43822	0.9
299.07288	19.7
301.12079	1.0
335.12067	1.2
435.12402	1.8
497.12512	100.0
498.12915	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.274
Annotation	Pierisformoside D
Peak:m/z	Relative Intensity
55.05430	5.4
56.04979	3.5
56.96490	3.5
57.03370	3.9
61.02848	3.1
64.26430	2.1
67.05420	10.7
69.03345	13.3
69.06983	24.6
70.06513	15.2
71.04884	3.7
72.08053	8.1
79.05415	12.1
79.55605	2.2
80.20268	2.2
81.03349	3.5
81.06966	27.6
83.04905	3.4
83.08529	5.0
84.04404	3.5
84.08041	16.4
85.02819	51.1
86.09623	12.0
91.05405	18.6
92.11002	2.3
93.06970	34.1
94.55956	2.2
95.04886	4.9
95.08543	21.9
97.02827	10.0
97.06449	2.9
103.05397	2.8
105.06974	49.5
107.08533	31.0
109.06476	3.3
109.10097	12.8
110.07108	3.6
111.08096	2.3
116.98556	3.0
117.06960	14.2
119.04890	3.2
119.08510	32.1
120.08105	5.1
121.06487	2.7
121.10098	11.2
123.08002	4.5
125.09589	3.4
127.03838	4.4
129.06960	3.9
129.10208	4.9
131.08540	28.0
133.06429	3.0
133.10086	13.4
134.41458	2.1
134.99615	3.6
135.08029	18.3
135.11624	8.9
137.05960	5.5
137.09564	3.2
141.06978	2.3
142.07732	2.6
143.08539	20.6
145.06453	2.3
145.10072	26.3
146.10626	2.1
147.08032	3.8
147.11647	10.3
149.09599	5.0
155.08545	17.2
156.09372	3.1
157.10115	26.0
159.11633	18.2
161.09558	2.8
161.13196	3.9
163.11107	4.6
167.06970	3.2
167.08409	3.6
169.10167	15.9
171.08083	2.4
171.11661	18.6
173.09621	5.1
173.13210	13.4
175.11139	2.8
181.10048	3.4
183.11646	13.1
185.13268	4.4
187.11057	3.1
187.14668	4.5
197.13210	15.3
199.14786	24.2
201.12704	22.2
201.16409	2.8
203.14211	5.1
207.11403	2.8
211.14684	4.0
213.12772	3.1
213.16397	3.4
215.14291	12.5
219.13799	19.5
222.57722	2.2
225.12723	3.6
225.16295	4.3
237.16278	3.6
239.14320	4.9
239.17867	10.2
243.17409	3.4
253.15924	3.1
253.19424	17.1
255.17303	3.2
257.19012	5.0
263.17801	3.9
269.18951	2.8
271.20499	12.8
273.18387	4.1
274.97226	2.5
281.18903	47.9
292.98474	3.3
299.19986	94.5
300.20349	2.5
317.21051	100.0
335.22015	36.3
359.11053	2.6
461.95767	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	497.2743
Annotation	Pierisformoside D
Peak:m/z	Relative Intensity
53.03881	1.7
53.54360	1.2
55.01800	2.0
55.05447	10.9
56.04958	8.3
57.03353	5.8
60.04451	2.4
61.01059	1.2
61.02859	4.7
67.05402	7.1
69.03349	14.2
69.06973	10.5
70.06508	71.9
71.04890	2.9
71.06821	2.2
72.08067	28.5
74.05978	6.4
79.05399	8.1
81.03320	6.9
81.06974	14.1
83.04887	2.0
83.05963	2.0
83.08542	2.1
84.04427	23.9
84.07607	2.4
84.08068	52.9
85.02821	35.2
86.09148	2.0
86.09630	42.6
86.59898	1.4
88.03902	2.8
91.05389	16.1
93.04443	1.7
93.06975	10.8
95.04881	7.7
95.08524	11.7
97.02825	10.2
98.37594	1.4
98.97486	2.4
100.11182	2.1
101.98190	1.4
102.05466	8.8
103.05386	14.7
104.05234	1.7
105.06979	19.8
107.04881	2.4
107.08532	13.3
109.02834	1.9
109.06474	1.8
109.10107	7.9
110.07122	32.7
111.08053	1.7
112.07532	1.5
112.08655	3.1
116.07007	2.1
116.98563	2.3
119.04916	2.0
119.08530	18.5
120.08057	20.1
121.06419	6.4
121.10080	7.6
123.04277	2.0
123.07989	3.2
127.03869	8.3
127.62306	1.4
129.10179	17.7
130.10524	1.7
131.04890	23.5
131.08502	7.6
132.08057	2.7
133.06415	6.0
133.10083	11.2
134.99602	2.3
135.08002	7.8
136.07530	8.4
137.05939	3.2
137.09584	2.1
139.04015	1.5
143.08517	5.8
144.09314	1.9
145.04877	1.9
145.10091	8.4
147.08014	12.6
147.11650	1.8
148.05989	2.5
149.05910	2.0
155.08453	2.7
157.10094	3.4
158.99562	1.7
159.07957	2.9
159.11554	5.4
161.05942	6.6
161.09587	6.8
163.07469	6.7
167.06973	3.3
169.10005	6.4
171.07916	2.1
171.11566	6.1
173.09628	2.5
173.13072	2.6
175.07404	2.6
175.11026	1.8
177.12622	2.0
178.90515	1.4
179.10567	2.2
183.07921	1.7
183.11618	2.8
183.15096	1.6
185.09557	6.1
185.13223	1.7
187.07191	1.9
187.11124	7.1
187.14696	2.2
189.12767	2.3
191.14159	1.6
195.11581	2.8
197.13144	9.1
199.11075	3.1
199.14670	1.7
201.12500	2.9
207.11662	1.7
211.14859	2.4
213.12685	6.2
215.14160	3.3
217.12262	1.7
221.13155	1.7
225.12537	2.1
239.14287	2.6
241.15782	3.2
253.15802	2.7
281.18875	5.8
299.20041	15.3
302.02069	1.7
317.20999	17.2
325.10477	1.9
335.22092	100.0
365.12625	2.0
399.21176	1.8
445.25073	1.6
452.73032	1.4
497.27161	2.9
503.79367	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96507	0.7
57.07003	0.7
71.08551	0.8
76.26037	0.6
76.56281	0.7
89.05924	2.3
91.90030	0.6
116.33577	0.6
217.87306	0.7
228.51570	0.7
236.08371	0.7
256.11310	0.6
283.17233	1.0
317.17740	4.0
335.18829	3.0
479.30988	5.2
497.32257	100.0
498.32986	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	498.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71031	0.1
55.01804	0.2
57.03364	0.4
57.68809	0.1
60.80275	0.1
60.94998	0.1
61.02844	0.1
69.03346	0.7
70.06506	0.2
71.01243	0.1
73.02834	0.1
81.03326	0.2
83.72619	0.1
85.02835	2.1
86.03164	0.1
92.10928	0.1
94.03987	0.1
97.02815	0.7
97.98010	0.1
99.72102	0.1
101.11124	0.1
110.07095	0.5
116.98556	0.2
119.03489	0.7
127.03886	0.2
132.15126	0.1
136.06158	100.0
137.04506	0.5
137.06674	1.0
145.04944	0.2
167.07060	0.1
177.00658	0.1
185.02939	0.2
225.97711	0.2
268.10345	12.4
269.10605	0.2
374.79034	0.1
407.13678	0.1
459.13928	0.2
484.73340	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	498.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00227	0.6
55.01804	0.7
55.05446	8.2
56.04974	0.5
57.03372	11.6
57.07009	3.9
58.40604	0.5
59.04931	2.5
60.04442	1.3
61.02857	0.8
65.03867	0.7
66.38858	0.5
67.05424	28.7
69.03345	34.5
69.06987	15.8
70.06503	9.9
71.04903	18.9
71.08539	0.8
72.08057	3.4
72.36044	0.5
75.04390	2.5
79.05404	2.6
81.06970	44.5
81.52249	0.6
83.04883	1.0
83.08538	7.8
84.04430	2.3
84.08068	5.8
85.02825	29.3
85.06460	30.4
85.10091	1.2
86.09615	9.4
87.04385	18.6
88.03928	0.6
89.87971	0.5
91.05394	2.2
93.06973	3.3
95.04892	0.7
95.08528	100.0
96.08865	0.7
97.02811	23.5
97.10112	1.1
99.04367	1.0
99.08009	5.8
102.05485	0.8
105.06963	0.7
107.08553	1.2
108.07213	0.6
109.10096	32.4
110.07131	5.1
113.09524	2.2
115.03876	18.2
116.98544	0.6
117.06989	0.6
119.08540	1.1
120.08039	4.8
121.10110	0.7
122.03606	1.0
123.11668	4.1
125.13210	1.3
126.05443	0.7
126.07146	0.6
126.95586	0.6
127.03880	1.4
128.10654	0.7
129.10199	3.0
131.08498	0.6
131.78893	0.6
133.04927	12.0
133.29288	0.6
136.07542	0.6
137.05949	8.8
151.14767	9.4
164.86853	0.6
169.15825	54.8
170.16171	1.0
173.09506	0.6
181.06454	0.8
187.16896	21.5
243.60704	0.6
255.13707	0.7
271.09589	2.1
295.10104	0.8
302.47177	0.6
391.54697	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14862	1.0
53.00252	2.4
53.39848	1.7
55.01803	1.7
55.05450	12.4
56.04948	1.1
56.96513	1.1
57.03367	12.7
59.04570	1.1
59.87772	1.1
60.04454	1.9
64.33755	1.2
65.03873	1.4
67.05418	28.6
69.03004	2.1
69.03342	38.4
69.06980	17.1
70.06499	25.8
71.04901	20.5
72.08050	14.2
73.02826	1.4
74.06006	1.3
75.04391	3.0
76.56469	1.2
77.29023	1.1
79.05412	5.1
81.03336	2.6
81.06969	44.1
83.08526	8.5
84.04424	6.1
84.08060	21.7
84.51099	1.4
85.02815	34.6
85.06464	24.0
86.09624	26.3
87.04375	14.6
90.61951	1.3
91.05406	5.8
93.06966	3.1
95.04909	1.6
95.08524	100.0
96.08807	1.2
97.02795	26.7
97.06492	1.4
99.04379	1.8
99.08007	6.2
99.50509	1.3
102.05424	1.5
105.06990	6.4
107.08517	1.8
109.10106	29.9
110.07106	10.0
115.03867	15.6
116.06967	1.3
116.40101	1.3
117.07014	1.5
119.04946	2.0
119.08513	3.1
120.08049	17.3
123.11667	7.4
127.03898	3.0
129.10176	13.0
130.06444	2.3
133.04962	10.6
136.07510	2.3
137.05937	14.1
145.04965	2.8
147.04355	1.8
149.09818	1.4
151.14771	6.7
162.09065	2.8
165.06967	2.4
167.07027	2.4
169.15825	53.2
187.16916	21.7
192.06514	12.1
257.85889	1.6
271.09622	2.1
335.22012	2.3
336.22440	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	498.306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65258	1.3
55.05433	3.3
57.03362	1.7
57.06998	1.7
64.33530	1.9
67.05398	2.5
69.03333	3.5
69.06965	10.2
79.05381	2.0
81.06974	3.8
83.08524	1.7
85.02807	10.7
85.06483	2.3
88.10395	1.5
93.06973	3.6
95.08531	13.3
96.23904	1.6
97.02813	2.8
97.06454	2.9
97.10090	1.7
97.56860	2.0
105.06970	66.9
107.08533	3.3
109.10090	8.6
111.08022	2.2
116.98593	2.8
119.08537	14.5
121.10069	3.9
131.08525	47.8
133.10080	6.9
135.45705	1.7
139.11131	2.1
142.58865	1.7
143.08542	10.4
144.77544	1.7
145.10085	50.2
147.11630	3.0
155.08499	12.2
157.10066	13.1
159.11650	100.0
169.10065	13.5
171.11636	7.7
173.13193	9.6
175.92847	1.8
183.11630	9.7
185.13190	11.6
187.11174	2.8
197.13208	8.5
199.14749	4.0
229.19435	2.9
239.17888	37.5
257.18924	42.5
283.20499	13.2
301.21622	16.9
319.22595	78.1
320.22946	3.2
458.56088	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08444	5.7
51.66177	5.7
54.81365	6.4
54.81616	6.7
55.76614	6.5
56.96505	7.8
60.13614	6.0
63.51077	6.3
67.05426	6.5
69.06982	13.4
81.06976	25.6
83.79954	8.0
85.02813	12.7
91.05405	50.5
92.48980	7.1
93.06952	13.4
95.04910	10.2
95.08514	44.9
105.06973	33.0
107.08575	6.8
109.10100	18.2
110.60664	7.9
111.08073	8.8
117.06962	18.0
119.08508	15.1
121.10123	9.2
123.11626	14.2
131.08530	93.1
133.10037	10.2
134.99663	10.5
137.05907	10.2
143.08502	17.0
145.10062	43.8
147.08080	26.8
155.08519	31.2
157.10095	37.4
169.10037	9.9
171.11624	34.2
177.70561	7.0
183.11636	15.8
184.13185	8.8
185.13232	12.6
195.11671	8.8
197.01190	9.2
199.11169	7.4
215.02341	9.0
225.16319	36.8
243.17368	68.1
259.01059	13.4
265.19684	8.5
283.20529	57.2
301.21521	43.6
319.22672	100.0
323.80627	9.0
427.41888	8.9
495.65610	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	498.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	2.2
56.04969	1.5
57.03368	1.2
60.03102	1.3
67.05414	2.9
68.45320	1.3
69.03345	3.2
69.06990	1.7
69.38688	1.6
70.06508	8.0
72.08061	3.1
79.05360	1.4
81.06982	11.5
84.08054	6.7
85.02805	6.4
86.09647	4.7
91.05405	2.4
93.06964	3.2
95.08518	16.2
97.02856	1.5
100.11209	1.6
102.37778	1.4
103.05399	1.9
105.06966	49.7
106.48084	1.3
107.08522	1.8
108.29501	1.3
109.06447	1.5
109.10086	10.3
110.07124	1.9
117.06927	2.8
119.08519	8.4
120.08043	2.9
121.10065	2.7
123.11723	1.5
125.09570	1.9
129.10185	1.6
131.07616	2.5
131.08530	37.0
133.10149	1.7
137.05945	6.1
143.08549	7.5
145.08987	2.5
145.10094	49.2
155.08513	11.0
157.10077	17.3
159.11682	9.4
169.10069	14.8
171.11650	17.6
173.09372	1.7
173.13330	2.3
183.11690	12.6
183.65442	1.3
185.13228	2.9
195.11546	1.9
197.13310	5.1
199.14696	7.8
209.13184	2.0
217.15695	1.7
239.17902	24.1
257.18964	12.6
265.19366	3.1
283.20508	9.5
301.21292	1.9
319.22571	100.0
415.03537	1.6
416.15976	1.6
500.61313	1.5
514.85962	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05440	12.0
56.06237	7.6
60.29924	7.0
66.99658	7.1
67.05418	32.6
69.06980	39.2
70.06508	11.0
71.19717	7.0
79.05395	16.6
81.06969	80.5
84.08052	48.0
89.05933	55.0
91.05373	13.7
93.06960	46.0
95.08536	41.6
105.06947	16.7
107.08538	33.5
108.08027	17.0
109.10109	32.5
110.09629	14.8
119.08497	38.4
121.10072	15.5
131.08551	10.5
132.69458	8.6
135.11638	11.7
137.09497	11.9
149.09511	10.1
152.14319	9.8
165.09125	92.9
171.06532	10.0
194.15231	10.5
203.10699	14.1
205.12224	13.8
215.14775	8.9
283.17438	11.8
374.55420	9.1
422.30112	10.8
480.34628	100.0
498.35788	10.1
524.57959	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	498.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25948	1.3
54.45511	1.1
55.05445	9.7
56.00816	1.1
57.03365	8.9
57.07016	2.9
58.06240	2.0
58.06528	46.6
58.20006	1.2
59.07308	13.8
60.05577	3.4
60.08096	13.9
62.06003	6.4
67.05427	17.2
69.06992	8.7
75.04385	3.3
79.05415	2.5
81.06975	15.4
83.08559	2.3
85.02832	3.0
86.09640	2.7
87.04399	7.0
91.05410	2.1
93.06969	3.3
93.98524	1.6
95.08537	9.5
104.10695	7.0
109.10099	2.9
124.92242	1.4
131.07013	1.8
144.10208	9.9
166.32491	1.8
172.95229	6.4
184.07301	3.3
190.96254	6.6
205.67072	1.6
207.92461	1.7
225.67941	2.1
236.14870	100.0
237.15099	2.1
248.51552	1.6
290.40906	1.5
293.21320	1.6
337.27094	2.3
475.21164	7.0
480.36560	13.3
492.01642	1.7
498.37811	74.9
499.38153	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	498.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	3.1
57.07010	46.1
59.06516	1.1
60.20370	1.2
61.87644	1.4
69.06982	1.7
71.08543	18.8
73.06462	6.6
73.55914	1.2
73.87478	1.2
77.14053	1.4
83.91683	1.3
85.10106	19.7
87.04400	3.3
89.05946	100.0
97.10083	1.7
107.06998	6.4
112.04960	1.5
114.38376	1.6
122.37112	1.8
133.08556	37.7
155.17885	2.5
156.22815	1.5
177.11195	11.9
185.73814	1.6
243.23119	1.8
283.17511	2.5
287.25595	1.9
327.20047	16.1
481.37335	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81578	3.1
58.30289	2.1
66.98518	2.1
75.96505	2.4
76.55905	2.4
78.17020	2.1
83.12543	2.1
93.33401	2.6
94.61753	2.4
101.00816	5.6
103.02404	3.1
110.07105	25.1
111.07468	3.0
119.01866	50.5
121.03412	3.7
127.02395	5.2
131.01866	31.5
133.03474	2.9
137.02884	15.1
143.01889	24.0
145.03439	83.6
147.01361	4.0
149.02914	10.6
154.03065	2.4
155.01834	25.8
156.07666	11.3
157.03445	28.8
161.02925	55.7
163.04477	23.3
167.01811	4.9
171.01375	9.8
171.04959	4.1
173.02902	100.0
175.04517	13.4
179.01816	3.7
185.02917	75.6
187.04424	13.4
189.02386	17.7
191.03934	4.1
197.02893	25.8
203.03923	21.8
215.03940	18.9
217.01862	51.6
221.05055	3.5
227.03999	10.1
229.01990	5.9
235.02971	31.3
245.05011	90.4
246.05339	3.4
247.02890	10.2
257.04907	13.8
263.06091	18.9
275.05927	8.8
277.03967	11.7
301.04074	4.5
305.07053	4.3
319.04987	18.3
337.06046	19.7
345.10510	2.6
350.31226	3.0
365.08826	5.9
444.29013	3.0
499.11362	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	2.5
56.04976	3.2
56.96488	0.9
65.85408	0.6
69.03349	0.9
70.06137	0.9
70.06509	17.9
72.08067	18.5
72.08452	0.8
72.58992	0.6
73.39945	0.7
74.05980	3.3
80.81796	0.7
83.06015	0.8
84.04428	14.8
84.08066	26.2
85.02837	3.5
85.03963	0.7
85.04771	0.9
86.09631	5.3
87.05474	0.8
88.03905	1.1
89.56754	0.7
91.05404	12.9
92.05765	1.3
93.06989	1.0
95.04906	1.0
97.02853	0.8
101.07103	2.6
102.05492	4.6
103.05386	6.0
105.06973	1.3
110.07119	6.5
110.09599	0.7
111.72102	0.6
116.07062	1.0
116.98578	1.0
119.04899	17.1
120.05236	3.3
121.06468	3.3
122.03603	1.7
127.05028	0.7
129.10190	11.8
130.05026	0.7
130.08617	3.6
131.04890	12.2
132.05255	3.2
133.02806	13.0
133.06427	1.2
134.03181	1.6
135.08049	0.9
135.77914	0.6
136.05219	0.7
136.07530	7.5
137.05954	65.9
138.06291	11.3
138.09129	1.4
139.03757	1.1
140.04378	0.7
141.05330	0.7
141.06534	1.3
141.10226	1.1
144.08069	3.9
145.08440	0.9
146.03671	0.8
147.04401	1.3
147.11261	1.4
148.04988	0.6
149.05948	9.8
150.06308	1.0
151.07535	15.6
152.07895	4.5
155.11758	0.9
159.07802	0.9
161.05934	8.3
162.06277	1.5
163.07515	4.0
165.05475	3.4
166.57466	0.6
169.04704	3.0
169.07620	2.9
173.05534	0.9
175.07503	1.5
177.01607	4.3
177.05482	1.5
181.08545	8.6
182.08913	1.7
183.11230	5.2
185.04208	3.7
188.71124	0.6
192.03908	22.7
193.04706	3.4
201.12349	3.8
218.15065	0.9
223.27101	0.7
225.09111	0.8
311.12769	1.2
312.12943	0.8
313.09036	0.8
329.08389	4.6
329.13593	6.0
330.14218	3.5
355.10092	3.2
359.14746	3.0
360.15250	1.3
386.50601	0.9
432.26471	0.7
435.11990	0.8
437.14157	4.3
439.11893	3.3
499.14136	100.0
500.14133	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	499.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74030	1.3
55.01806	1.7
55.91360	1.2
56.77154	1.3
57.03364	3.3
69.03345	10.0
70.06504	2.9
84.04394	2.8
84.08087	1.5
85.02834	15.7
86.09637	1.6
87.04388	3.9
91.92306	1.7
93.32988	1.8
97.02827	7.5
98.97526	1.8
105.52338	1.5
110.07171	1.5
118.06485	10.7
130.06490	8.6
132.08044	8.4
141.42941	1.8
143.07271	3.4
144.08070	17.7
146.05986	71.9
156.08015	9.0
159.09143	3.5
160.07542	6.9
165.55136	1.8
168.08066	3.1
170.05940	3.2
181.65117	1.7
188.07030	100.0
189.07379	2.4
202.08601	2.3
205.09691	28.7
229.09636	2.5
230.08092	25.1
233.12886	1.5
247.10706	7.8
294.02869	1.7
350.12253	12.9
367.15048	20.2
434.78091	1.8
443.44736	1.7
499.13223	7.0
499.19958	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	499.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07014	1.0
57.64184	1.4
63.69554	1.1
69.06984	1.5
70.61515	1.1
86.09605	8.1
87.09894	1.4
89.64604	1.5
92.10975	1.3
97.43906	1.4
105.06964	6.9
117.06937	1.7
118.06484	17.1
119.08578	3.9
121.06416	1.9
124.99931	5.7
130.06490	100.0
132.05608	1.6
132.08058	2.1
133.10124	1.8
142.06488	1.7
144.08051	7.8
146.05983	30.2
146.07108	3.8
147.08006	13.1
156.52773	1.4
158.60292	1.3
161.09593	14.3
166.74161	1.4
172.95212	1.9
184.07256	11.9
185.07574	6.2
186.07837	1.6
188.07008	22.9
276.45758	1.2
370.19974	19.7
499.25745	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00109	0.6
59.49696	0.6
60.88782	0.6
67.62605	0.6
68.83202	0.7
73.04435	0.6
79.68435	0.7
81.06973	0.8
107.31715	0.8
114.56464	0.7
119.09241	0.6
274.32071	0.8
413.30203	3.7
499.37454	100.0
500.37918	5.2
528.57788	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32834	0.4
89.05967	0.9
92.10204	0.7
110.21640	0.5
141.15523	0.5
144.81859	0.5
385.59598	0.6
481.35672	0.8
499.37497	100.0
500.37677	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	499.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05451	1.0
57.07018	1.2
58.06528	2.4
86.09578	1.2
88.30345	1.2
89.92428	1.2
118.18759	1.3
232.10046	1.4
236.14827	11.5
293.11746	1.2
297.95529	1.1
299.20297	1.2
329.36215	1.4
333.45108	1.5
347.25351	1.4
438.92337	1.5
469.96912	1.2
481.36349	2.2
499.37506	100.0
500.38437	12.7
508.18561	1.4
524.17834	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44175	1.3
53.71133	1.1
57.56233	1.1
59.06050	1.5
59.90179	1.1
61.37322	1.6
67.35123	1.3
69.18437	1.4
78.07539	1.2
82.20499	1.3
85.02842	1.1
89.05976	1.5
102.28822	1.4
102.36207	1.3
133.98566	1.5
178.27396	1.6
203.72491	1.6
324.86365	1.5
369.62054	1.7
462.83563	1.3
499.37494	100.0
500.37936	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	499.3787
Annotation	Argenteanone D
Peak:m/z	Relative Intensity
54.52262	1.6
55.05453	3.1
56.92770	1.6
57.06997	1.9
58.28113	2.0
59.63682	1.7
61.26956	1.8
62.37386	2.1
64.52001	1.7
67.05412	5.4
69.06972	8.4
76.49790	1.8
79.05400	4.7
81.06969	16.5
83.04897	8.9
83.08520	3.2
91.05411	3.2
93.06950	14.3
95.08527	26.2
96.22122	1.9
104.58811	1.9
105.06955	20.6
107.08516	18.7
109.10104	13.6
118.49887	2.4
119.08543	18.5
121.10115	13.6
123.11663	3.0
131.08458	3.7
133.10085	11.5
134.45282	2.3
135.11656	9.1
143.08586	2.5
145.10074	3.4
145.41376	2.1
147.11674	9.0
149.09596	4.5
149.13220	3.4
155.08510	2.6
161.13185	11.6
163.14766	2.5
173.13124	2.7
175.14764	10.9
177.16310	4.3
185.13087	2.6
187.14725	2.8
189.16309	12.5
191.17870	2.3
199.14690	2.3
201.16348	3.2
203.14426	2.4
203.17906	8.9
213.16359	3.7
217.15904	2.5
481.36826	4.8
498.32462	3.2
499.38013	100.0
500.37891	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	500.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39341	0.3
53.03883	0.4
55.01812	3.8
55.05454	1.8
56.04973	1.0
56.96490	3.8
57.03380	0.7
58.99517	4.7
60.04447	0.5
61.02818	0.4
65.03845	0.6
66.04658	0.4
67.05416	0.6
67.38400	0.4
68.05807	0.4
69.03343	2.6
69.06992	0.6
70.02850	0.4
70.06508	14.5
72.08073	6.2
74.05986	0.7
75.36694	0.4
76.02138	35.5
76.03902	0.9
77.03827	0.4
79.05405	9.7
81.03325	0.6
81.06966	0.5
84.04429	14.2
84.08060	6.0
84.95964	0.5
85.02822	3.2
86.09630	9.6
86.98981	1.0
88.03946	0.9
91.05399	4.9
92.64243	0.4
93.06949	0.7
95.04887	2.6
95.08498	0.6
97.02824	2.0
98.02346	0.4
98.97507	4.1
102.05488	0.6
103.05399	12.1
105.06971	96.9
106.07325	2.2
107.04935	0.8
107.08556	0.5
107.68873	0.4
109.10062	0.5
110.06100	0.3
110.07077	2.9
110.97493	0.5
115.05402	18.4
116.01624	7.8
116.98573	4.0
118.04102	6.2
119.04954	0.8
120.08048	1.0
121.06431	0.7
121.10038	0.6
121.51884	0.4
127.03900	0.5
128.86526	0.5
128.97086	0.4
128.98538	3.1
129.10197	3.7
130.04936	4.9
131.04880	4.8
132.05643	1.0
132.10139	0.6
133.02855	3.7
133.06453	90.7
134.06792	2.7
134.99600	2.7
135.08083	0.4
136.07535	0.5
137.05939	2.1
142.03204	4.8
143.04872	1.5
143.06020	5.3
144.01097	4.9
146.99594	3.5
147.04384	2.2
149.01259	0.5
149.05972	1.0
158.99637	0.8
161.05942	100.0
162.02185	12.0
162.06274	3.1
163.07571	0.8
167.07037	0.5
170.02658	0.8
173.09232	0.5
177.00647	1.8
179.04810	14.9
187.05275	0.4
187.10779	2.2
189.00635	0.6
191.07042	3.4
193.08565	37.0
216.09846	0.4
219.01711	3.6
222.01909	2.1
224.54631	0.4
233.05891	4.8
237.02756	8.2
241.03755	0.6
242.27512	0.5
245.05902	0.6
252.02905	1.1
255.03885	0.9
269.14285	0.8
270.04028	0.8
283.88440	0.4
285.13791	0.8
287.15283	0.8
295.08188	2.5
295.58383	0.7
303.15802	0.8
304.08813	3.0
308.09027	25.5
405.38358	0.5
413.10614	0.5
431.19464	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	500.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82250	0.1
55.05439	0.2
56.04955	0.2
59.74934	0.1
60.04445	0.2
61.02861	0.1
61.38556	0.1
62.26443	0.1
64.36195	0.1
66.04656	0.1
68.04939	0.1
68.73728	0.1
69.03342	0.2
69.06963	0.2
70.06503	5.0
70.06891	0.2
71.04893	0.2
71.06838	0.1
72.08062	1.9
74.05988	0.1
79.05397	0.5
81.03307	0.1
81.06962	0.2
83.04947	0.1
83.56934	0.1
84.04417	2.2
84.08060	1.9
85.02822	0.7
86.09618	1.3
86.98698	0.1
87.05508	0.1
91.05396	0.6
94.03223	0.1
94.04097	1.2
95.04874	0.1
97.02808	0.2
100.09120	0.1
101.07065	0.2
102.05459	0.4
105.03306	0.1
107.04897	0.2
109.06431	0.1
110.07092	0.9
111.86404	0.1
114.09129	0.2
119.04873	0.4
120.08035	0.4
121.06458	0.4
122.03590	4.9
123.03902	0.1
123.07970	0.1
129.10147	0.8
129.11807	0.1
130.04951	1.6
131.04872	0.2
133.02815	0.7
136.07556	0.4
137.05940	100.0
138.06277	2.5
139.03831	0.4
147.04370	0.2
147.07600	0.8
149.05943	0.8
151.07477	0.7
153.05501	0.2
153.06952	0.7
162.37013	0.1
165.06799	0.1
178.02560	0.2
179.06976	0.5
180.27779	0.1
181.06477	0.9
193.04906	4.7
194.05281	0.2
194.22597	0.1
195.07957	0.1
198.06714	0.2
199.07060	0.1
209.05934	0.1
213.09128	0.8
216.89268	0.1
225.09027	0.2
226.15312	0.1
241.08528	0.7
245.11227	0.9
253.05905	0.1
253.08531	0.6
267.08893	0.1
273.11188	0.9
285.11026	1.1
298.86099	0.1
303.12207	0.6
307.53967	0.1
500.14560	0.1
500.26419	0.1
501.14700	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54922	3.9
54.77049	3.7
55.05430	18.8
56.04949	3.7
56.96469	5.2
57.07009	3.8
59.04938	4.0
67.05421	5.5
69.03330	17.8
69.06976	16.8
70.06488	19.8
79.05373	7.4
81.03334	5.8
81.06973	59.9
83.08552	6.3
84.08048	17.1
85.02834	51.0
86.09606	24.3
91.05405	51.8
93.06972	39.3
95.04903	5.1
95.08535	49.3
97.02795	6.9
103.05360	5.1
105.06970	71.4
107.08497	29.4
109.10094	35.1
110.07122	9.2
111.08019	23.1
111.11685	5.3
117.06969	59.6
118.00760	4.6
119.08525	40.4
121.10075	20.0
123.08019	8.3
123.11655	41.4
127.03858	4.8
129.06938	29.7
131.08505	59.3
133.10085	30.0
135.11545	13.8
137.05910	7.7
137.09604	4.9
143.08548	45.6
145.10072	50.6
146.99594	4.2
147.11673	32.5
149.13254	9.3
155.08472	6.3
157.10103	40.0
159.11615	21.2
163.11130	5.8
169.10062	8.0
171.11636	41.9
172.94603	4.4
173.13240	18.0
183.11624	9.1
185.13226	25.7
187.14777	17.3
197.13199	8.6
199.14778	8.1
199.35725	5.0
211.14740	7.3
227.17874	76.9
245.18959	47.9
267.21021	47.9
285.22095	100.0
303.23032	42.9
501.24347	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08693	0.4
55.05415	3.4
55.08579	0.5
57.03362	8.4
57.06988	0.8
58.06529	34.0
59.07310	12.8
59.83607	0.4
60.08086	8.3
67.05407	2.0
69.06987	3.8
71.64667	0.4
73.02808	0.8
73.60270	0.4
75.04369	4.2
78.08853	0.5
79.05378	1.2
81.06929	2.1
83.08523	1.1
83.95373	0.5
85.02798	1.3
87.04366	6.5
93.06968	0.6
95.08511	1.2
97.10080	0.5
105.05448	0.6
109.10088	0.6
113.90263	0.5
131.07021	1.9
144.10170	9.3
162.11221	4.6
176.73022	0.5
218.13722	0.7
236.14859	100.0
237.15179	3.8
264.53674	0.5
286.14267	0.6
301.27408	0.6
478.81085	0.5
482.38370	11.3
500.39322	47.4
501.39755	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	500.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01812	0.7
55.05453	8.8
57.03365	6.0
57.07005	0.8
58.06530	46.1
59.04894	0.6
59.07313	16.9
60.08097	11.2
67.05428	5.9
69.06982	9.0
71.08551	0.9
75.04393	3.8
79.05405	1.6
81.06966	5.6
83.08526	4.4
84.08103	0.7
85.02802	2.9
87.04362	5.7
93.06985	1.4
95.08530	3.7
97.10101	2.7
99.59725	0.7
103.03836	0.7
107.08548	0.8
109.10085	1.3
118.88436	0.8
121.10096	1.4
124.90496	0.7
130.08559	0.8
131.07024	1.1
133.45915	0.6
135.11687	0.9
144.10172	8.2
162.11223	1.7
186.51350	0.9
236.14857	100.0
237.15222	1.1
253.51645	0.7
315.31775	0.7
323.15439	0.7
339.28772	0.8
438.38980	1.0
482.38275	15.4
500.39352	70.0
501.39127	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	501.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01815	2.9
55.05440	1.2
56.04967	1.6
57.03370	30.4
59.04926	6.5
60.04449	2.1
61.02850	3.3
61.70157	1.2
69.03348	100.0
69.06985	3.2
70.06502	27.9
71.04910	5.5
72.08067	6.3
73.02849	2.9
74.02357	11.4
75.04401	6.0
81.03331	13.4
83.04932	2.4
84.04437	5.2
84.08062	22.5
85.02827	90.8
86.09628	92.1
87.04389	51.2
87.09952	8.0
88.03898	11.0
88.76645	1.4
91.05428	1.6
93.62891	1.5
95.04852	1.7
97.02823	82.5
99.04381	11.2
107.04887	1.5
109.02854	6.0
110.07157	4.4
111.04424	2.2
115.03886	61.1
116.03353	2.5
116.07050	2.4
117.05461	2.0
120.67961	1.3
123.04375	2.2
127.03886	21.3
129.10207	10.8
132.10153	22.5
133.04935	50.0
133.05948	3.4
133.10446	1.8
134.04433	10.6
135.04340	1.6
136.07539	2.2
137.05945	2.2
139.03896	6.3
145.04950	20.2
157.04956	8.9
161.04437	1.8
163.05978	6.2
165.05469	1.7
178.90456	1.4
194.52597	1.6
196.06084	3.2
211.06020	1.9
213.08687	1.6
227.60744	1.6
229.07077	14.0
230.11243	1.7
237.13219	2.0
247.08101	8.2
259.08139	2.5
265.09097	19.4
277.09274	2.4
295.10205	7.8
457.75110	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05456	29.3
57.07010	11.5
59.04929	9.7
67.05421	17.1
69.03391	1.7
69.06986	38.4
71.04871	2.6
71.08523	1.9
72.73327	1.5
79.05411	12.6
81.06975	49.2
83.08543	22.2
85.06492	3.0
89.48084	1.8
89.62140	1.6
89.93608	2.3
91.05424	17.4
93.06971	45.5
95.04920	2.3
95.08534	74.6
96.02374	1.7
97.06452	8.7
97.10088	13.4
99.04380	2.5
99.08022	2.2
99.45706	1.9
105.06264	2.9
105.06977	62.3
107.08547	60.5
109.06477	2.5
109.10110	38.8
111.08061	4.0
115.07522	8.8
117.06960	4.5
119.08533	66.1
121.06428	3.6
121.10101	51.7
123.08020	9.8
123.11636	15.4
129.06967	4.2
131.08537	37.8
132.08652	1.7
133.10095	61.5
135.08046	4.1
135.11694	26.0
137.09581	12.3
137.13251	2.6
141.09106	1.9
142.07779	3.4
143.08557	23.4
144.09380	1.8
145.10101	35.2
147.07996	3.3
147.11665	32.2
149.05971	2.0
149.09558	9.8
149.13257	19.5
151.14821	13.2
153.09135	7.4
155.08504	2.5
155.10657	4.6
157.10104	60.2
158.10835	4.2
159.11652	49.1
161.09586	4.6
161.13235	22.9
163.11234	4.1
163.14842	8.0
167.10674	8.3
169.10101	11.6
171.11646	49.9
172.12030	3.3
173.09712	3.3
173.11713	3.6
173.13223	92.9
175.11154	4.5
175.14767	25.7
177.09035	2.1
177.12686	7.5
179.10596	9.4
181.12144	3.0
183.11681	8.5
185.13205	26.6
187.14771	21.6
189.12793	2.5
189.16347	4.6
191.14249	3.9
193.12195	9.5
193.15877	18.1
195.11688	3.5
195.13811	2.9
197.13237	11.6
199.11111	2.8
199.14781	100.0
201.16389	8.3
203.14322	3.1
203.18040	2.5
205.12231	4.3
205.15887	4.0
209.13322	3.0
209.15187	2.1
211.14816	14.6
211.16699	4.2
213.16335	54.0
215.18002	10.2
217.12230	4.1
217.15828	10.6
219.13823	18.1
219.17456	7.3
223.14879	2.8
223.16920	9.8
225.16309	6.3
227.17966	2.5
231.13722	16.1
231.17378	9.0
233.15341	7.1
233.19049	4.0
235.16891	4.1
237.16386	2.3
239.17963	3.9
245.15315	73.2
249.18527	3.0
259.16821	31.2
265.14279	3.3
267.21094	2.4
271.16833	3.1
273.14688	2.2
285.18515	2.6
291.15851	52.5
292.16318	2.0
303.15756	2.1
305.17517	11.5
317.17593	2.4
347.98648	2.1
373.28726	3.6
391.29956	25.0
393.31418	9.1
409.31009	20.0
411.32803	2.6
419.29382	14.0
437.30353	48.2
450.30988	1.9
455.31625	32.7
465.29819	15.1
483.30908	26.1
501.31961	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	501.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00991	2.2
53.03926	2.4
55.05449	39.2
55.58202	2.3
57.06995	7.4
62.77888	2.4
67.05418	28.5
69.03331	2.8
69.06978	43.5
79.05412	22.6
80.46067	2.7
81.06978	54.4
83.04908	3.2
83.08527	20.3
85.06412	2.7
90.02277	2.7
91.05392	16.5
93.06967	48.6
95.04860	3.8
95.08534	78.5
97.06450	13.6
97.10075	13.5
99.04401	4.1
105.06969	71.6
106.47672	2.8
107.08529	68.3
109.06483	4.5
109.10113	51.7
115.07498	3.0
116.98554	4.3
117.06935	6.8
119.08546	64.4
121.06456	4.9
121.10094	51.4
123.08007	11.5
123.11636	16.6
129.07034	3.9
131.01309	3.1
131.08533	42.6
133.10088	56.7
134.99576	3.5
135.07999	13.5
135.11639	32.3
137.09570	15.9
137.13245	5.0
142.07716	3.9
143.08562	26.1
145.10094	41.7
147.08025	5.3
147.11632	33.4
149.09590	13.8
149.13246	21.8
151.14777	16.8
153.09048	4.0
155.08536	5.1
156.09262	4.6
157.10097	59.0
158.10849	3.9
159.11668	44.2
161.13248	20.0
163.11115	5.9
163.14764	3.5
169.10117	11.8
171.11638	66.7
173.13210	89.3
175.11156	5.8
175.14774	26.3
177.12723	4.6
179.10541	4.0
183.11639	11.6
185.13182	28.1
187.14795	22.7
189.12653	3.9
189.16396	5.0
191.10577	4.6
191.14235	4.5
193.12242	5.4
193.15788	11.9
195.13867	4.6
197.13231	14.1
199.14781	100.0
201.16377	12.2
205.12090	4.9
205.15762	4.6
209.13184	5.4
209.15271	5.6
211.14812	10.6
213.16354	61.1
217.15767	3.8
219.13733	17.0
223.16888	6.1
225.16409	4.5
231.13696	5.8
231.17381	6.1
233.18887	3.2
239.17921	4.3
245.15263	65.2
259.16873	38.5
273.14633	3.7
285.18649	3.7
291.15842	39.1
305.17291	12.4
313.21558	3.4
391.29852	26.2
393.31033	3.8
409.30850	15.7
419.29077	5.1
437.30438	43.6
455.31458	32.3
465.29807	14.8
483.30804	17.8
501.32031	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	501.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
74.51976	0.6
81.06955	0.8
82.00037	0.7
83.04858	0.6
90.84000	0.8
92.10268	0.9
163.58815	0.8
203.10353	0.7
411.18805	0.6
424.15128	0.8
501.37509	100.0
502.37958	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	502.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	8.2
56.04972	6.8
56.96482	1.3
58.99512	8.9
60.04437	2.0
69.06972	5.6
70.06508	43.1
72.08070	28.7
74.05991	3.2
76.02139	68.5
76.56720	1.3
79.05401	6.7
81.06971	1.6
83.04908	2.7
83.06026	2.0
84.04430	36.7
84.08057	34.3
85.02837	1.5
86.09625	50.9
88.02094	1.6
88.03912	3.0
88.68645	1.4
91.05414	2.3
92.10307	2.1
93.06974	2.4
95.04888	3.3
98.97516	7.2
100.11185	2.2
101.07079	1.9
102.05483	3.1
103.05412	8.7
105.07016	11.8
107.04895	81.6
110.07095	12.0
115.05411	1.9
116.01626	16.9
116.98582	6.4
120.08047	8.4
123.05549	1.5
129.10202	18.5
130.04968	13.9
132.10187	1.9
134.99603	1.6
135.08012	22.5
137.05942	3.2
142.03169	7.5
144.01158	7.7
154.06239	7.1
162.02167	24.6
163.07483	35.2
167.07008	37.6
170.02719	3.3
177.00594	2.4
179.04817	26.9
180.07803	6.3
182.15269	1.6
187.05363	2.1
193.04866	12.4
194.05316	2.3
195.10124	100.0
201.12537	1.7
228.13777	9.7
228.63795	2.0
233.05859	8.1
237.14368	14.7
237.64453	6.8
238.02931	1.7
246.14783	38.8
246.64993	7.6
306.14325	1.6
308.09070	46.9
382.86420	1.9
454.34698	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01788	0.2
57.03379	1.7
57.03606	0.2
58.33123	0.1
59.04921	0.8
59.38236	0.2
61.02867	0.3
62.99721	0.2
69.03344	6.8
69.06989	0.4
73.02839	0.3
75.04391	0.4
81.03319	0.4
82.18263	0.2
83.14848	0.2
84.04417	0.2
84.07968	0.2
85.02829	9.9
85.03356	0.3
86.09625	100.0
87.04388	4.6
87.09951	1.4
91.03896	0.3
97.02815	5.6
99.04382	0.3
103.03904	0.2
109.02817	0.3
115.03876	5.3
116.13768	0.2
127.03871	1.9
132.10168	31.5
133.04942	5.6
133.10562	0.4
136.07643	0.2
145.04926	3.8
163.05998	1.5
167.59445	0.2
169.66299	0.2
179.84378	0.2
230.84061	0.2
239.11191	2.8
259.08099	0.4
280.85605	0.2
295.10284	0.2
307.10199	0.2
336.21442	0.2
353.61929	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01809	3.7
55.05444	14.3
56.96488	6.9
56.98551	2.3
63.41835	2.6
63.88906	2.3
65.50752	2.8
67.05431	23.5
68.99699	3.1
69.06985	11.2
79.05406	24.3
81.06969	100.0
83.04883	4.9
83.08533	5.6
86.09570	2.5
91.05416	29.7
93.06966	20.7
95.04896	11.7
95.08521	29.7
97.06464	4.3
101.94983	15.6
105.06960	38.1
107.04922	11.1
107.08544	19.2
109.06460	27.3
109.10092	12.1
117.06944	3.8
119.08540	22.8
119.96075	8.5
121.06436	17.0
121.10085	14.7
123.07977	3.7
123.11667	5.3
129.01788	6.7
131.08539	12.2
133.10081	21.2
135.08029	3.1
137.97070	13.0
145.10095	14.6
147.11673	18.3
149.09595	4.1
159.11633	11.3
163.11024	2.9
165.12688	5.5
171.11623	3.7
173.91212	3.1
175.11015	3.2
177.12799	3.8
211.55644	2.7
222.39156	3.0
240.01593	4.5
255.06566	3.5
275.19998	60.8
275.62415	3.3
293.21069	32.6
357.17346	3.7
363.14838	3.1
375.18170	3.3
378.15680	3.6
420.16647	4.8
438.17807	27.4
449.21298	16.9
456.18942	29.3
482.28665	6.3
525.22968	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00238	0.7
55.05441	7.2
57.03099	0.7
57.03373	17.3
57.07010	52.8
59.45815	0.5
62.12357	0.5
67.05432	8.0
67.21495	0.5
69.06985	8.2
71.08544	32.9
81.06981	13.5
83.08537	9.5
85.10102	17.0
86.09665	0.8
89.05958	2.8
95.08537	16.2
97.10106	4.2
98.98399	7.2
103.07504	1.2
107.08597	0.7
109.10086	6.2
123.11628	2.5
145.30676	0.6
155.01012	0.8
173.01993	0.7
180.25137	0.6
184.60043	0.6
239.23676	1.3
257.24725	3.9
313.27298	100.0
314.27679	5.3
449.26392	0.8
488.05545	0.6
502.32684	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73698	0.7
53.03887	3.0
54.26996	0.7
55.05455	8.9
55.83760	0.6
57.06996	1.0
61.02853	1.4
64.34109	0.9
64.66030	0.8
65.21909	0.6
67.05430	19.0
69.03352	5.4
69.06995	7.1
77.53711	0.7
79.05409	19.1
81.03348	1.2
81.06977	55.9
83.08033	0.6
83.08540	4.4
84.08068	0.9
85.02832	17.3
86.09646	1.2
87.10483	0.7
91.05411	17.6
93.06973	41.0
94.85326	0.7
94.85933	0.8
95.04912	1.9
95.08537	50.5
97.02840	3.6
97.06451	1.2
97.10096	3.2
100.01043	0.7
105.06972	45.3
107.08536	35.9
109.06449	1.5
109.10104	30.0
111.08033	7.2
117.06985	5.5
119.08537	33.7
121.10110	20.0
123.11645	6.6
127.03880	1.1
129.06946	4.8
131.07590	1.6
131.08534	21.8
133.10098	36.5
135.11636	16.6
137.09622	1.0
137.13274	1.3
142.07706	1.0
143.08545	9.0
145.10124	23.1
147.11668	44.5
148.12051	1.6
149.13246	12.2
151.11177	1.2
157.10077	8.0
159.11655	26.6
161.13219	18.8
163.14803	4.7
171.11685	7.7
173.13223	28.3
175.14775	21.3
176.15169	1.0
177.16440	1.0
182.01726	0.9
185.13229	9.3
187.14778	14.6
187.60765	0.9
189.16377	6.5
191.14366	1.0
199.14745	8.1
201.16306	8.7
203.14310	0.9
205.15840	3.2
213.16357	8.2
215.17963	3.0
227.17960	5.4
229.19472	100.0
230.19835	1.5
231.17282	1.0
241.19519	1.3
255.57655	1.0
269.22610	28.8
271.24121	7.4
287.23624	46.7
288.23959	1.6
397.28952	1.0
416.58450	0.9
437.30338	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05458	12.1
55.12125	6.0
57.03365	14.6
57.07010	54.7
67.05428	89.5
69.06989	7.4
71.00291	6.0
71.08527	29.9
81.06966	41.4
83.08535	7.6
85.10139	7.1
89.05953	9.7
95.08528	15.5
107.68074	6.3
109.10108	100.0
130.20769	6.4
137.09435	8.2
145.97899	7.7
151.05075	7.1
194.84631	6.7
206.65167	8.3
229.14235	50.7
309.48355	7.6
313.27240	37.7
356.22836	8.3
364.24039	7.7
443.27689	7.5
467.37085	36.5
502.37775	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	503.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02319	0.4
52.29639	0.3
52.74991	0.3
54.81668	0.4
55.01800	0.7
56.04948	0.3
56.96514	0.3
57.03360	0.7
61.02849	0.6
65.03819	0.3
66.11333	0.3
69.03345	2.4
70.06509	3.7
72.08049	1.5
76.02141	0.4
79.05396	2.4
81.03336	0.6
81.06965	1.5
84.04420	1.7
84.08068	2.6
85.02833	5.9
86.09636	3.7
89.81484	0.3
91.05408	4.5
94.04101	3.0
95.04868	0.6
97.02827	1.5
98.97479	0.5
103.05393	2.1
104.06204	0.4
105.06982	7.4
107.04901	2.8
109.02807	0.5
109.06467	1.9
110.07107	1.5
112.79935	0.4
115.05396	3.5
117.06966	1.7
118.04113	0.5
119.08517	3.2
120.08041	0.5
121.06499	0.7
122.03609	9.0
127.03917	0.5
128.06203	2.3
129.07025	2.6
129.10223	0.6
131.04936	0.8
132.05708	2.2
133.06485	5.7
136.07483	0.4
137.05956	100.0
138.06313	1.5
143.04933	0.4
144.05692	1.5
145.06451	1.4
146.03560	0.6
147.04413	0.6
147.08029	2.6
149.05978	1.8
155.04916	1.9
156.05742	0.6
159.08052	2.9
160.05168	2.0
161.05940	9.6
165.06888	0.4
167.07010	0.9
172.05136	2.5
174.35609	0.4
175.07513	18.7
179.06996	0.5
184.05200	0.6
187.07500	7.9
189.07144	0.4
190.07745	3.9
191.08530	10.8
192.09122	0.5
195.10144	0.8
196.10356	0.5
199.07506	6.1
199.40918	0.4
202.07698	2.9
203.08542	6.1
207.08080	0.4
208.08832	1.9
211.51648	0.4
217.08505	0.4
218.07285	2.5
219.08025	16.6
220.08784	2.6
221.09415	0.6
231.07996	5.6
232.06914	0.4
232.08917	0.8
233.05923	0.4
233.09570	0.6
235.07515	2.0
235.11017	0.4
236.08292	3.2
237.14449	0.5
247.07541	6.9
248.08183	3.1
249.08998	0.7
251.10612	17.4
252.10915	0.5
253.08766	0.5
255.06488	0.5
259.07492	3.2
260.08060	1.5
261.09036	0.8
262.09665	0.5
263.10663	2.4
264.07715	1.6
265.08548	1.7
272.26819	0.4
275.07016	0.4
276.07809	2.0
277.08548	2.1
279.10126	10.2
280.10745	0.8
281.08035	1.7
291.10147	6.1
292.10883	0.9
293.08029	1.3
296.10443	2.5
308.10272	0.5
311.12729	20.8
312.13000	0.7
323.12714	7.5
341.13678	0.6
351.75241	0.4
471.22092	0.4
503.18613	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	503.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21581	0.2
53.03880	1.2
54.23201	0.2
54.82043	0.3
55.01804	2.1
55.05441	1.3
56.04964	0.3
57.03373	3.2
59.04924	0.5
61.02847	3.1
65.03844	0.3
69.03351	8.9
69.06977	0.7
70.06509	6.1
71.04900	1.2
71.45426	0.3
72.08083	3.1
73.02819	1.4
74.05960	0.3
79.05405	2.1
81.03331	3.7
81.06973	1.5
83.01234	0.6
83.01938	0.3
83.06014	0.4
84.04406	0.6
84.08068	3.6
85.02828	17.9
86.09624	6.1
87.04395	0.7
91.03893	0.3
91.05399	6.4
93.06957	1.2
94.04099	3.9
95.04910	0.7
97.02825	6.6
99.04391	0.5
100.11140	0.3
102.05444	0.3
103.05408	5.1
104.85239	0.3
105.06975	5.4
107.04907	2.3
107.08547	0.4
109.02821	1.8
109.06478	2.8
110.07115	2.4
115.05396	3.6
115.08622	0.5
117.06982	3.0
119.08546	4.0
120.08088	2.5
121.06461	0.7
122.03606	9.7
127.03890	2.5
128.06155	3.6
129.06993	3.3
129.10187	2.3
131.04890	6.3
132.05679	4.0
133.06433	3.2
137.05951	100.0
138.06313	1.5
141.06982	0.7
143.04953	0.5
143.06093	0.3
145.04951	0.8
145.06445	1.6
146.03629	0.8
147.04384	0.6
147.08003	6.5
149.05978	0.6
155.04861	0.7
156.05563	0.4
159.08014	2.1
160.05196	2.5
161.05927	7.9
163.07523	4.5
169.06477	0.7
171.07991	1.5
171.81082	0.3
172.05055	0.4
175.07504	27.0
184.05202	2.3
187.07495	6.0
189.06972	0.6
189.09094	0.4
190.07693	3.1
191.08513	9.3
192.09322	0.4
199.07498	8.6
202.07758	5.5
203.08513	9.1
204.09213	0.5
205.06491	1.3
207.07982	0.5
208.08716	0.6
215.08495	0.6
218.07271	1.9
219.08003	10.8
220.08730	3.2
221.06017	0.4
221.09610	0.4
230.07224	0.7
231.07996	8.7
232.08723	1.5
233.09520	0.5
235.07460	0.6
235.11150	0.4
236.08295	2.4
247.07489	5.1
248.08255	5.7
249.08873	1.5
251.10602	13.0
253.08554	0.4
258.06558	0.4
259.07477	4.8
260.08200	2.8
261.09015	1.5
263.10574	3.6
264.07718	1.6
265.08459	1.4
269.15082	0.3
275.06888	0.4
276.07803	2.5
277.08441	3.4
279.10114	7.3
280.10666	1.2
281.08093	0.7
287.19644	0.3
291.10071	8.3
292.10791	2.7
293.08038	0.6
295.13110	0.4
296.10367	1.2
308.10416	0.6
311.12741	12.8
323.12711	8.7
325.14380	1.3
506.06091	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	0.7
55.01804	1.4
55.05185	1.2
55.05448	30.3
56.01323	2.9
56.04964	4.0
56.96484	0.5
60.04448	1.1
61.01096	0.7
61.68093	0.5
64.32197	0.5
67.05415	0.6
68.04941	0.5
69.03336	2.4
69.05721	3.0
69.06976	2.2
70.06506	41.8
71.06841	0.8
72.08067	42.4
74.05962	1.0
76.02148	0.6
79.05390	1.0
83.06014	1.1
84.04430	8.3
84.08061	19.6
85.02821	3.1
85.08401	1.1
86.09618	22.5
87.05504	0.7
87.09946	1.2
88.03913	2.3
89.03836	2.6
91.04876	0.5
91.05399	4.7
93.06952	1.0
96.08069	0.6
97.02808	1.3
98.05978	100.0
98.97507	0.6
99.05578	0.7
99.06280	0.6
99.09143	13.8
101.07113	0.9
102.05468	2.6
103.05377	4.2
105.06963	3.9
107.04885	2.4
110.07119	8.8
112.02103	0.9
112.08662	0.6
113.07096	0.7
115.08636	97.4
116.07027	0.8
116.08997	0.8
116.98587	0.8
117.03317	3.3
119.04898	1.4
120.08070	5.9
121.06419	1.2
122.03618	0.7
123.04421	0.6
124.05162	0.5
127.08629	8.8
129.10187	9.7
130.04933	0.6
131.04907	4.9
133.02808	8.7
133.06378	0.7
135.04366	4.7
136.07498	2.5
136.89453	0.5
137.05943	19.5
145.02812	5.7
147.04338	4.2
148.05147	2.0
149.05952	8.6
150.03104	3.4
150.05521	1.7
150.06715	6.7
152.07076	3.2
159.04300	0.6
160.07458	1.3
161.02324	3.0
161.05853	1.1
163.03856	3.8
163.07491	2.3
164.07022	1.2
165.05426	3.2
165.07834	4.9
173.12924	1.1
175.03896	0.9
175.07471	0.7
176.04668	1.3
177.05431	8.2
178.02591	1.2
178.06114	1.0
179.07088	0.6
190.02589	2.8
192.06470	2.5
192.10101	2.8
193.04948	2.1
201.12343	2.3
202.08586	0.8
205.04944	1.3
206.11719	0.8
208.03606	1.3
215.13792	0.8
221.04385	6.0
223.05965	8.4
229.43687	0.6
235.12357	0.6
246.11237	1.1
247.11996	0.7
263.13837	19.4
264.14584	8.2
295.06006	0.9
307.11459	1.2
311.12540	0.8
339.09958	2.8
354.07263	1.2
371.11121	13.9
447.37589	0.6
478.64044	0.6
485.19009	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	503.336
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
52.10683	8.0
55.05437	16.1
65.05331	9.5
67.05418	17.4
69.06964	11.0
77.44582	8.4
78.96530	9.7
79.05396	13.3
81.06950	42.4
83.08522	8.9
91.05417	12.1
92.65579	8.8
93.06939	42.7
95.08524	40.6
104.99178	12.6
105.06936	88.4
107.08522	69.2
109.10073	16.5
111.08037	9.5
117.06952	9.0
117.10452	8.0
119.08521	69.0
119.09235	8.5
121.10088	50.0
122.55556	8.7
123.11638	9.1
131.08539	66.2
133.10106	71.9
135.11652	11.6
137.59041	8.6
145.10147	64.4
147.11641	44.9
149.09547	9.1
159.11662	56.8
161.13184	14.6
163.11162	13.3
163.14816	13.3
171.11676	12.3
173.13257	71.6
175.14757	47.9
177.16292	18.1
185.13240	16.2
187.14774	100.0
189.16287	72.9
199.14777	12.4
201.16266	14.0
205.15794	68.2
233.15315	38.2
393.31406	78.6
397.44025	10.4
439.31989	57.9
467.31143	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	503.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64146	4.5
55.05448	31.4
61.73158	5.0
67.05415	10.7
69.06976	12.9
70.06503	24.0
72.08067	8.3
79.05405	24.2
81.06966	75.2
83.04885	6.2
83.08520	9.2
84.08058	14.4
85.02841	7.9
85.06464	8.5
86.09622	23.4
91.05422	26.2
93.06970	54.0
95.08557	59.7
96.25316	7.0
103.05395	6.2
105.06975	90.8
107.08524	73.5
109.06546	5.9
109.10100	36.8
110.07099	5.7
111.08102	5.7
113.89483	5.6
119.08535	63.9
121.10081	57.2
123.11653	10.3
127.11208	6.5
129.10182	5.7
130.22929	5.9
131.04878	6.5
131.08499	56.1
133.10100	61.7
135.11685	12.6
137.05998	13.1
141.06900	6.8
143.08559	9.1
145.10095	63.9
147.11674	33.7
149.13272	8.7
157.10124	21.8
159.11656	60.9
161.13243	31.8
163.11101	8.2
163.14806	12.4
171.11693	9.5
173.13216	35.0
175.14807	36.6
177.16330	32.3
185.13184	24.1
187.14758	100.0
189.16397	46.4
193.12050	7.3
199.14732	8.5
201.16393	12.4
205.15829	47.6
215.17911	7.4
221.15413	5.7
233.15219	9.2
246.20616	5.8
252.58934	5.8
255.06456	51.1
273.25998	6.2
310.17621	6.3
313.04120	6.5
344.01889	6.0
393.31345	23.3
394.39478	6.3
421.30911	8.5
439.31979	36.5
467.31360	26.7
503.25726	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	503.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05457	6.8
57.07002	4.9
62.44043	0.8
67.05429	9.0
69.06979	11.8
72.04399	0.8
75.76876	1.0
79.05398	8.6
80.05802	0.9
81.06968	28.5
83.08529	6.4
91.05390	10.5
93.06968	25.6
93.79402	0.9
94.55232	0.9
95.04903	1.4
95.08527	37.3
97.06374	1.0
97.10096	1.6
103.05421	1.1
105.06265	2.1
105.06968	46.1
107.08535	46.1
109.06454	1.2
109.10105	20.0
111.07996	1.5
112.39595	0.9
117.06969	5.2
119.08533	43.5
121.10090	36.9
121.42743	0.9
122.18468	0.9
123.07970	2.0
123.11647	9.0
129.06885	1.3
131.07620	1.8
131.08522	34.1
133.10098	44.3
135.07997	2.0
135.11667	17.9
137.09625	1.2
137.13121	1.5
143.08517	6.5
144.09262	1.9
145.10092	64.8
147.11650	25.4
149.05899	1.2
149.09599	1.8
149.13281	11.3
151.11133	1.4
157.10101	8.3
158.10829	6.5
159.11656	75.1
160.12085	1.2
161.13210	27.0
163.11163	9.9
163.14799	13.0
169.10052	3.7
171.11659	9.1
173.13208	37.9
175.11139	1.4
175.14743	22.4
177.12660	2.4
177.16333	23.8
179.14307	1.1
185.13199	10.2
187.14775	100.0
188.15170	1.4
189.16339	31.5
191.14235	2.3
191.17964	1.7
193.12238	2.0
197.13232	2.2
199.14738	3.9
201.16393	12.1
203.14204	1.2
203.17877	5.9
205.15833	66.8
207.17357	4.2
213.16315	5.3
215.14262	4.7
215.17982	7.4
217.15862	1.5
219.13702	4.0
219.17336	1.9
221.15323	2.4
227.17825	1.2
233.15309	24.9
255.06230	1.2
279.15768	7.4
340.48837	1.1
375.30319	1.7
377.31775	1.5
393.31418	36.8
394.31491	1.5
395.33054	9.0
411.32367	6.3
421.30930	8.0
439.26300	1.4
439.31985	31.6
440.32101	1.8
457.33182	1.1
467.31274	13.6
485.32407	9.0
512.91211	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82974	2.2
51.89029	2.2
52.80122	2.4
53.60395	2.3
55.05445	21.0
57.03350	3.3
57.06996	3.0
57.53215	2.5
59.04920	2.9
59.96808	2.6
67.05427	25.2
69.03351	5.2
69.06982	15.3
70.06517	17.8
71.04910	3.3
72.08080	5.9
73.61897	2.8
74.30550	2.4
79.05401	28.1
81.06969	50.4
82.77004	2.4
83.08518	10.5
84.04460	3.4
84.08066	7.3
85.02830	2.7
86.09618	12.2
91.05403	30.4
93.06979	44.7
95.04912	5.0
95.08543	65.2
97.06467	5.8
99.04395	4.3
100.11169	12.4
103.05419	3.0
105.06980	78.3
107.08534	77.6
109.06472	12.4
109.10107	35.7
110.07086	3.3
111.04387	5.1
111.08065	9.9
117.06952	15.2
119.08542	100.0
120.08041	6.7
121.06460	16.0
121.10091	45.7
123.08018	12.4
123.11649	4.8
124.90033	3.0
129.06920	6.3
131.08533	51.4
133.10091	54.8
134.99698	3.1
135.08034	20.9
135.11696	23.6
137.05954	16.0
137.09590	6.2
143.08539	22.3
145.10115	85.8
147.08005	15.3
147.11668	47.2
149.09645	11.4
149.13225	14.0
151.11168	4.1
155.08504	3.7
157.10081	21.2
157.66750	2.8
159.08057	5.0
159.11670	53.2
161.06113	2.9
161.09592	24.4
161.13226	47.0
163.11150	14.1
163.14813	6.0
165.09090	12.6
169.10013	6.7
170.10951	4.5
170.70999	2.7
171.11620	13.4
173.09625	3.5
173.13205	40.8
175.11160	5.8
175.14798	38.1
177.08974	3.5
177.12785	4.4
177.16331	4.8
179.14241	4.5
183.11696	6.5
185.13193	44.9
187.14777	51.3
189.12666	20.8
189.16360	28.7
191.14259	52.7
197.13258	5.9
199.14790	21.1
201.12737	7.0
201.16321	31.2
203.14284	40.3
205.12248	3.8
205.15823	22.7
207.13753	3.2
210.14847	4.4
213.16409	13.0
215.14328	12.0
217.15846	11.2
219.13765	3.7
219.17482	11.5
221.15358	27.2
231.17506	5.2
233.15295	6.9
255.06483	20.0
269.22485	3.2
287.23541	3.3
291.29456	3.4
388.60562	3.3
391.29706	15.8
403.29785	13.0
409.30914	18.5
421.30908	19.1
437.30414	57.4
439.32043	23.6
449.30301	5.9
454.22205	3.0
457.32977	17.8
467.31290	16.4
485.31989	5.1
502.34631	3.7
503.25830	39.3
503.33466	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	503.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57476	5.2
53.37864	5.6
54.34998	5.9
55.05442	13.1
55.23240	5.6
59.67742	5.7
69.07008	20.3
70.06510	6.3
79.05363	9.1
81.06969	36.8
82.70293	6.9
84.08009	8.7
86.98292	6.3
91.05404	16.0
93.06956	36.6
95.08543	52.0
104.99200	11.6
105.06988	59.1
107.08519	43.1
109.10091	27.9
119.08531	58.6
121.10084	54.1
123.07975	7.0
123.11626	7.1
131.08507	50.8
133.10106	44.3
135.11636	9.3
143.08591	10.4
145.10072	61.5
147.11690	31.2
159.11664	65.8
161.13220	8.3
163.11137	12.2
163.14749	7.7
173.13202	43.0
175.14723	28.8
177.16283	32.3
180.82025	7.6
185.13228	15.2
187.14737	80.8
189.16370	49.8
195.41481	7.2
199.14706	8.6
203.14313	10.3
205.15808	70.9
219.13792	10.2
233.15327	40.6
255.06430	26.0
393.31378	41.0
439.31964	33.0
467.31253	29.5
503.26608	15.1
503.33524	100.0
504.34113	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	503.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74226	3.0
54.81886	3.6
55.05450	6.6
56.96503	3.9
60.54538	3.9
64.33562	3.3
67.05408	7.4
69.06966	16.5
70.06529	5.1
73.70396	3.5
79.05397	6.0
81.06977	38.2
81.39239	3.4
83.08540	4.1
84.08057	6.5
84.24074	3.5
86.09650	4.0
91.05388	7.8
93.06969	32.3
95.08529	43.0
96.86577	3.7
97.30288	3.4
105.06981	63.7
107.08523	47.7
109.06422	5.0
109.10103	25.8
117.06921	6.7
119.08534	52.9
121.06388	4.0
121.10101	33.4
126.16138	4.4
131.08528	49.9
133.10092	79.5
135.11655	23.6
139.72318	4.4
143.08546	5.0
145.10106	54.5
147.11690	36.5
149.13248	7.8
150.28374	3.6
157.10043	7.2
158.10957	4.4
159.11667	61.2
161.13184	15.8
163.11163	24.7
163.14619	4.5
171.11673	8.6
173.11823	6.6
173.13161	49.6
175.14752	34.8
177.16350	21.0
185.13246	8.6
187.14803	100.0
189.16333	64.8
193.12112	4.3
201.16328	6.9
203.17860	4.7
205.15828	57.1
207.17397	9.4
213.16364	5.5
215.17787	5.2
219.13797	8.1
233.15250	42.0
260.92282	4.2
393.31421	50.4
411.32388	6.2
421.30841	7.1
439.32132	28.6
467.31152	20.1
482.65717	4.6
503.35452	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	503.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00230	1.3
53.03894	11.1
54.81343	0.9
55.01810	1.1
55.05447	11.1
57.03360	6.1
57.07010	84.2
58.20968	0.8
60.52431	0.9
61.02843	2.3
66.04444	0.8
67.05426	20.7
69.02969	1.5
69.03345	54.8
69.06982	14.4
71.04893	6.0
71.08543	59.5
73.02813	1.4
79.05385	1.8
80.70549	0.8
81.03333	100.0
81.06967	27.1
83.08540	20.4
85.02817	33.7
85.06448	1.0
85.10100	27.3
92.10287	2.1
93.06970	1.3
95.08530	45.6
97.02818	72.8
97.06454	1.4
97.10100	9.5
99.04390	14.1
99.11617	1.3
106.24581	1.0
109.02828	45.0
109.10089	20.8
111.11620	1.3
123.11665	8.4
127.03867	39.0
137.13268	2.2
139.25288	1.0
145.04916	13.7
151.14729	1.0
221.22591	1.3
239.23627	31.3
255.06335	4.0
257.24802	3.3
346.33734	1.0
383.27817	84.8
384.28049	1.5
401.28781	17.5
502.37482	1.8
503.32843	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00232	1.1
53.03873	1.1
54.81433	0.9
55.01801	4.0
56.04968	2.0
57.03103	1.2
57.03371	31.1
59.04915	5.1
60.04448	1.9
61.02832	4.3
64.09441	0.9
69.03344	100.0
70.76801	0.9
71.01260	1.1
71.04906	2.2
73.02827	3.8
75.04366	2.3
79.05400	2.1
81.03338	8.5
83.01262	1.6
83.04902	4.1
84.04436	14.3
84.08041	1.2
85.02821	80.6
85.04794	1.3
87.03867	2.0
87.04383	52.9
91.03905	1.2
95.04882	1.3
97.02818	79.5
99.04381	11.7
101.02325	2.0
102.05459	6.0
103.03842	1.7
103.13063	1.0
104.05254	4.6
109.02810	4.1
109.06480	1.2
111.04354	5.0
115.03873	69.9
117.05393	4.2
123.04375	1.5
127.03048	1.4
127.03867	19.7
130.04951	2.4
131.03325	2.2
133.03191	3.8
133.04921	59.0
135.04381	1.1
137.05904	1.1
139.03864	8.7
143.03368	1.6
145.04929	20.1
148.05992	4.3
149.04405	1.8
150.07574	4.2
153.05429	1.6
153.90535	1.0
157.04944	10.7
161.04395	3.7
163.05984	3.7
169.04868	1.2
175.05962	4.2
181.05020	3.6
193.04979	1.5
194.57613	1.0
199.05994	1.5
211.05939	4.9
217.06960	1.9
223.11598	5.3
229.07010	26.0
247.07971	9.5
259.08038	6.9
265.09076	32.2
269.50565	1.2
277.09195	1.5
295.10233	12.4
315.85336	1.1
527.64838	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01803	5.3
56.04954	1.0
57.03365	27.4
58.32210	1.1
59.04919	5.1
59.77914	1.3
60.04453	2.1
61.01078	1.1
61.02829	4.2
63.31536	1.0
65.89081	1.0
68.73995	1.0
69.03345	100.0
71.01263	1.4
73.02818	4.8
75.04399	4.9
79.05411	1.5
81.03343	12.3
83.01293	1.7
83.04902	4.8
84.04411	4.5
85.02821	86.4
87.03865	2.2
87.04385	58.0
91.03905	1.7
93.02004	1.0
95.04881	1.4
97.02817	86.0
99.04387	13.3
101.02316	2.4
102.05442	1.2
103.03873	2.0
104.05222	1.5
109.02795	4.1
111.03645	1.1
111.04395	5.7
115.03866	72.2
116.99410	1.1
117.05444	2.3
123.04400	1.3
125.05950	1.5
127.03869	22.2
131.03345	1.2
133.04922	62.5
137.05899	2.1
139.03871	8.3
145.04916	19.5
149.04436	1.8
150.05843	1.8
150.07578	1.6
157.04889	9.7
161.04442	2.0
163.03883	1.4
163.06013	4.4
165.05447	2.3
169.04825	1.3
175.06027	2.4
181.04877	2.3
187.88409	1.3
193.04941	4.4
199.05959	2.0
211.06006	2.6
229.07016	24.7
247.08109	10.3
259.07947	4.4
265.09085	30.5
277.09021	1.8
295.10034	10.6
295.78696	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41613	3.7
53.03879	4.3
55.05443	15.1
55.61074	3.2
67.05428	32.4
69.03332	7.2
69.06971	22.2
69.66256	3.8
70.06510	5.9
72.08042	5.3
79.05406	17.3
81.06973	100.0
83.08521	10.5
84.04411	6.4
84.08088	4.5
85.02821	31.2
85.06460	30.6
89.10371	4.7
91.05390	7.3
91.81163	4.1
93.06973	41.9
95.08533	88.4
97.02786	5.0
97.06449	7.4
97.10109	4.8
99.08012	37.5
105.06964	38.1
107.08532	74.2
109.10114	60.2
111.08052	46.2
113.09592	6.1
119.08518	53.5
121.10088	60.1
123.08057	5.4
123.11666	17.0
131.08504	8.0
133.10110	32.5
135.11655	23.3
145.10075	19.8
147.11688	33.0
147.17587	4.5
149.13248	46.9
159.11653	27.1
161.13184	30.9
163.14778	29.9
173.13246	8.1
175.14717	9.2
177.16383	5.3
187.14769	8.0
189.59521	5.1
201.16338	6.4
203.17992	9.6
231.98602	4.3
249.22086	65.8
271.24091	6.1
277.25159	9.9
289.25183	65.8
307.26230	36.7
312.18655	4.6
505.11194	5.0
530.78711	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	505.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86385	0.4
52.28811	0.4
55.01774	0.5
55.05413	1.7
56.04931	0.8
56.96450	2.2
57.03368	7.4
59.04889	1.6
61.02826	1.7
61.28995	0.4
64.98590	0.4
67.05372	0.6
69.03345	5.9
69.06921	0.5
70.06500	7.4
71.01228	0.7
71.04903	25.3
71.05466	0.6
72.08004	3.6
73.02785	1.8
74.05932	0.8
74.87234	0.4
75.04358	1.6
81.03281	1.1
83.04845	2.5
84.04375	3.0
84.08071	5.8
85.02823	32.5
86.09623	8.3
87.04402	3.2
91.05390	0.9
92.10275	0.7
93.05682	0.5
95.47972	0.5
95.65890	0.4
95.66564	0.5
97.02816	3.7
98.97444	2.1
99.04332	1.0
107.68272	0.5
109.02760	0.6
110.05913	0.6
110.07028	1.8
111.04346	2.0
115.03842	1.0
116.07022	1.3
116.98527	1.1
117.03295	1.0
119.06015	16.4
120.07977	0.7
123.06718	0.9
127.03820	0.7
129.05353	1.1
129.10136	3.1
132.41974	0.5
132.61174	0.5
133.04836	0.6
134.99556	0.5
135.07939	0.9
137.05946	0.6
137.06990	1.9
138.05333	0.4
145.02834	3.7
147.03305	0.5
147.05498	11.7
148.03819	2.6
148.06279	54.4
149.07068	54.0
150.05403	1.8
150.07611	0.5
151.08571	1.0
164.05716	1.9
165.06541	43.1
166.07346	8.7
171.68567	0.5
175.02647	0.7
177.05376	6.0
179.08109	52.6
180.08406	0.5
195.06441	1.8
197.09172	46.5
198.09378	0.7
207.07704	0.8
217.07448	2.2
229.07349	2.3
231.23941	0.5
253.11093	0.9
268.11130	0.5
271.09525	0.5
271.12067	4.4
283.12149	3.5
301.13110	2.7
321.71609	0.5
325.13141	10.9
343.14182	4.2
359.14377	100.0
360.14813	3.2
385.15552	0.5
416.36902	0.5
445.17410	2.4
505.20142	30.0
506.20172	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00242	1.5
53.03879	1.9
55.01801	3.6
55.05439	16.5
56.04943	1.3
56.96491	2.6
57.03371	17.2
57.07006	2.3
57.19331	1.2
59.85412	1.4
60.94810	1.6
61.02831	1.6
65.10440	1.4
67.05423	25.1
69.03347	42.5
69.06980	16.6
70.06499	16.1
70.38840	1.4
71.04905	55.6
72.08056	9.5
72.43787	1.8
77.57471	1.9
79.05399	23.1
81.03329	3.3
81.06966	89.4
83.04874	2.8
83.08524	10.5
84.04404	3.2
84.08080	12.9
85.02345	1.8
85.02824	35.8
85.06464	38.1
86.09634	16.9
87.02032	1.9
87.04396	19.7
91.05392	24.5
93.06431	2.6
93.06968	48.8
95.04873	3.2
95.08527	85.0
97.02824	26.4
97.06467	6.6
97.10091	9.2
98.97499	3.8
99.04359	2.6
99.08007	6.6
105.06967	42.3
107.04884	2.1
107.08533	63.9
109.06448	3.8
109.09502	1.9
109.10118	32.8
110.07084	2.9
111.08021	16.8
115.03853	11.3
116.98559	8.4
117.06957	7.5
117.97839	1.6
117.98722	1.4
119.08521	44.8
120.08035	6.1
121.10074	34.7
123.11648	26.5
126.06485	1.6
127.03824	3.9
128.98427	1.6
129.06956	2.9
129.10223	2.3
131.08482	12.8
133.04935	12.7
133.06487	2.1
133.10092	32.4
134.99608	2.9
135.08032	2.5
135.11667	16.4
136.07533	1.7
137.05933	9.9
137.09526	2.6
141.12715	1.9
143.08507	7.6
145.04964	2.3
145.10100	13.6
146.10614	1.7
147.11671	24.0
149.13225	44.9
151.11148	8.7
155.08427	1.9
157.06526	2.1
157.10048	6.4
159.11658	9.7
160.08316	1.6
161.09531	2.9
161.13246	6.5
163.07547	2.0
163.11212	1.7
163.14769	56.8
165.09056	7.1
167.06999	2.0
170.42467	1.6
171.11702	3.7
173.13231	8.2
175.14783	25.8
177.00624	2.7
177.16299	9.3
181.04843	1.6
181.15813	37.2
185.13174	5.8
187.14772	6.8
189.09041	15.2
189.16318	8.5
190.09387	2.9
193.15829	31.0
195.64967	2.0
199.14752	7.2
201.16269	2.6
205.12296	2.4
205.15831	9.0
206.08821	2.2
211.11200	2.9
211.16887	100.0
217.08627	2.0
219.01802	2.1
237.02773	8.0
262.09647	2.0
262.59784	1.7
267.12140	2.6
268.12497	2.8
326.16568	1.9
349.13232	3.4
361.40796	1.6
405.31485	3.5
423.32501	2.3
439.08020	1.7
441.34116	2.2
451.31821	2.8
468.36874	1.9
469.32825	2.7
505.17490	23.9
505.30817	2.1
506.17874	3.1
523.18011	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	505.352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81881	1.4
55.01786	2.0
55.05444	18.2
57.07011	3.3
67.05420	22.3
69.06986	23.5
74.62238	1.7
76.56625	2.0
79.05403	21.6
81.06966	59.1
83.04903	4.7
83.08530	13.7
84.08060	3.7
91.05396	31.0
93.06961	50.5
95.04882	3.3
95.08526	77.4
96.08860	3.0
97.06446	3.7
97.10126	2.8
105.06969	88.1
107.07862	3.9
107.08533	76.9
109.06441	3.2
109.10085	35.7
111.08018	10.7
117.06968	22.1
119.08529	100.0
120.08884	2.8
121.06467	4.9
121.10088	66.4
123.08031	8.3
123.11663	16.6
125.09560	2.9
129.06953	12.3
131.04883	2.0
131.08511	57.0
133.10080	58.5
135.07980	4.2
135.11642	32.5
137.05969	3.3
137.09581	3.6
137.13245	2.5
142.07730	8.7
143.08524	28.3
145.10091	99.9
147.11655	46.7
149.09578	4.7
149.13222	21.3
155.08568	2.1
156.09315	8.7
157.10069	41.7
158.10803	3.2
159.10466	2.5
159.11652	71.5
161.09465	2.1
161.13216	38.8
163.07433	2.6
163.11160	13.3
163.14734	17.2
165.12715	3.1
169.10092	8.3
170.10802	4.0
171.11658	25.2
172.12444	2.6
173.13203	45.5
175.11105	2.5
175.14778	53.8
177.12714	8.9
177.16331	46.1
179.14278	3.0
183.11618	9.3
184.55464	2.1
185.13196	44.3
187.14771	62.6
189.12729	10.2
189.16322	36.7
191.14226	14.9
191.17889	9.6
197.13206	10.6
198.13976	1.9
199.14778	47.4
201.16330	40.7
203.14235	19.9
203.17908	4.6
205.15817	65.4
207.13835	2.1
207.17386	4.9
213.16331	12.8
215.14456	2.4
215.17867	4.1
217.15805	16.0
219.17375	21.5
221.15324	7.7
225.16145	2.9
227.17802	2.8
231.17365	8.5
233.18973	2.2
240.22386	1.9
245.15390	2.2
260.74725	2.0
377.31970	2.3
393.31268	14.2
405.31458	28.0
411.32431	8.1
421.31357	2.6
423.32474	36.0
433.30624	3.9
439.31674	10.6
441.27719	3.6
441.33545	75.1
451.32016	39.6
458.72751	2.3
465.07678	7.6
469.32971	21.5
487.33990	4.4
505.27954	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	505.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05439	10.3
57.07013	4.0
58.21055	2.3
58.92163	2.2
60.19983	2.3
62.38237	2.1
67.05434	21.5
67.05733	2.6
69.06983	15.8
70.06516	4.9
70.83936	2.3
72.08073	3.6
74.43149	2.4
79.05401	23.4
79.45222	2.3
81.06976	61.7
83.04879	13.1
83.08517	11.2
84.08085	2.3
84.83611	2.2
85.39181	2.5
88.44939	2.6
91.05407	21.9
93.06977	39.4
95.04882	3.9
95.08534	65.4
97.10085	3.4
98.76914	2.2
105.06268	3.4
105.06977	83.2
107.08530	59.0
107.15243	2.6
109.06464	3.9
109.10104	37.9
111.08006	3.9
117.06966	13.9
119.08524	80.0
121.06445	3.6
121.10113	44.4
123.07991	5.5
123.11646	25.6
125.09630	3.4
129.06970	4.4
131.08531	52.9
133.10091	50.4
135.08023	5.0
135.11711	18.3
143.08511	17.4
145.10091	100.0
147.11655	38.3
149.09593	2.7
149.13211	15.1
151.11171	3.1
156.09285	3.8
157.10089	22.4
159.11650	60.6
161.09541	4.1
161.13199	30.7
163.14781	16.4
169.10107	5.5
171.11679	19.4
173.13239	43.3
175.11131	3.6
175.14786	46.6
177.16338	29.9
179.14214	4.6
183.11650	3.7
185.13226	34.7
187.14780	65.6
189.12758	2.9
189.16338	30.1
191.14185	11.9
197.13249	3.3
199.14799	30.4
201.12683	3.0
201.16345	41.1
203.14236	22.7
205.15846	80.9
211.14651	3.3
213.16330	12.2
217.15788	11.1
219.17365	20.7
221.15417	4.6
223.16927	3.2
225.61769	2.6
227.17924	4.2
229.15822	3.7
231.17287	2.8
251.75883	2.9
275.58258	2.5
393.31442	10.7
405.31537	23.7
423.32428	27.0
433.30869	5.5
439.31860	5.3
451.32056	49.3
465.07828	16.4
469.32626	12.2
487.33698	4.7
505.36765	5.2
513.68390	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	505.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84467	1.8
54.81980	2.1
55.05439	14.7
57.06992	2.9
66.54745	1.8
67.05426	21.4
69.06983	16.7
70.06504	13.2
72.08048	3.6
77.61744	1.8
79.05405	24.9
81.06512	2.5
81.06972	61.3
83.04900	12.2
83.08528	8.8
84.08067	4.1
86.09632	3.7
91.05399	35.3
93.06969	46.7
95.04865	4.8
95.08529	83.6
97.10091	3.2
103.05381	3.7
105.06972	81.0
106.07282	2.1
107.08537	74.6
109.06480	3.6
109.10098	37.5
111.08002	3.2
117.06960	17.3
119.08530	74.3
120.08041	12.2
121.06467	4.4
121.10086	43.6
123.08033	2.8
123.11646	18.4
125.09579	10.3
128.06180	2.2
129.06902	9.3
129.10204	3.1
130.07747	2.7
131.08516	57.4
133.10088	47.0
135.07993	4.8
135.11678	19.7
136.07520	2.1
137.09547	7.9
142.07715	4.3
143.08534	29.1
144.09332	3.0
145.10094	100.0
146.10582	1.9
147.08026	3.3
147.11667	50.2
149.09583	3.9
149.13217	15.2
155.08401	2.6
157.10100	31.2
158.10760	2.3
159.11659	63.3
161.09567	3.4
161.13252	25.8
163.07524	3.2
163.11087	3.0
163.14737	13.1
165.09041	4.1
165.12756	3.8
169.10103	3.5
170.10880	3.8
171.11670	20.4
172.12253	2.2
173.11902	3.6
173.13225	49.7
175.14796	44.5
177.12671	2.6
177.16306	20.8
183.11722	7.5
184.12401	4.3
185.13222	38.7
187.14764	65.0
189.16351	27.7
191.14249	14.5
193.15840	2.8
195.11601	3.1
197.13100	3.5
199.14763	39.9
201.16359	32.0
203.14258	20.0
203.17969	4.6
205.15834	70.4
207.17384	2.6
211.14639	4.0
213.16286	15.2
215.17871	3.7
217.15858	10.8
219.17332	17.5
221.15283	7.7
223.17038	2.6
225.16348	2.6
227.17912	4.8
229.15759	3.0
231.17401	4.9
247.16931	2.7
253.19452	2.6
306.32031	2.5
365.28241	2.4
393.31390	11.0
393.60690	2.1
405.31485	28.3
421.31094	2.5
423.32581	25.3
433.31091	2.7
439.31985	4.9
451.31836	43.9
469.32962	20.2
487.34094	4.0
505.27667	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	505.352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05433	15.6
56.04964	9.9
57.03374	8.8
57.07008	7.5
60.04473	2.0
63.44598	2.2
63.48453	2.0
65.03850	3.0
65.71406	2.0
66.17366	1.7
67.05416	17.1
67.64564	1.6
69.03336	21.3
69.06986	21.0
70.06500	41.5
71.04895	2.1
72.08061	23.3
74.05990	2.8
79.05408	18.6
81.06969	64.2
83.04900	16.7
83.08536	11.1
84.04422	11.1
84.08054	28.5
85.02818	15.7
86.09633	26.2
87.04385	9.1
90.88316	2.2
91.05404	29.3
92.10201	2.4
93.06967	41.8
95.04878	9.9
95.08531	75.0
97.02819	14.3
97.06483	2.5
97.10104	4.0
102.05453	3.2
103.05375	21.2
105.06966	89.2
107.04897	3.8
107.08534	65.8
109.06449	4.1
109.10092	33.6
109.84458	1.9
110.07101	20.2
111.08033	4.6
115.03844	10.7
116.07100	2.6
117.06972	21.3
119.08523	77.0
119.09335	4.1
120.08091	21.1
121.06449	4.2
121.10085	41.3
123.07984	3.3
123.11636	23.4
125.09587	2.5
129.07013	4.1
129.10150	15.7
131.04883	12.5
131.08551	46.5
133.04944	5.0
133.10101	54.4
134.77161	2.2
135.08009	14.8
135.11646	19.6
136.07527	3.6
137.05940	8.7
143.08501	15.3
144.09291	4.3
145.10089	100.0
145.11252	3.9
147.08066	2.4
147.11641	41.0
149.09566	4.1
149.13190	9.4
151.03877	4.3
153.05405	3.0
154.06194	15.9
155.08444	3.6
156.09196	3.3
157.10077	30.3
158.10913	2.9
159.11642	64.3
161.05904	2.9
161.09612	7.7
161.13222	30.5
163.07463	15.9
163.14781	12.6
169.09966	5.0
170.10777	4.2
171.11586	16.1
173.13217	49.4
175.14751	45.2
177.12775	2.3
177.16371	25.4
179.14259	4.0
183.11621	3.8
185.13245	27.2
187.07349	3.1
187.14757	57.9
189.16335	25.7
191.14272	8.8
191.17860	2.4
195.10117	15.9
197.13240	3.0
199.14748	27.8
201.16310	29.5
203.14235	18.8
203.17932	4.6
205.15849	71.6
207.17404	3.3
211.14806	3.7
213.16273	4.9
215.17868	3.3
217.15819	9.5
219.17371	18.0
221.15350	10.9
227.17805	2.8
229.15826	3.1
231.01749	2.5
231.17398	3.0
266.60965	2.1
319.66595	2.8
339.72125	2.3
353.14008	2.5
393.31400	8.8
405.31561	21.3
407.32419	2.2
421.31033	2.9
423.32510	24.9
433.30951	2.8
439.32224	4.0
441.33365	3.2
451.31934	42.0
469.32971	10.3
487.33826	8.2
505.24191	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	505.352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	15.4
56.04970	2.5
57.06998	1.7
67.05426	13.6
69.03349	2.0
69.06972	17.4
70.06506	22.4
71.04913	2.2
72.08060	12.7
72.86522	1.5
79.05405	14.1
81.03313	2.3
81.06969	39.6
83.04910	3.7
83.08527	12.4
84.04427	3.2
84.08070	16.9
85.02810	3.3
85.06474	2.7
86.09628	33.0
87.04391	1.7
90.45770	1.4
91.05404	26.8
93.06966	39.9
95.04883	7.5
95.08527	53.7
97.10090	2.3
99.19950	1.7
103.05365	3.5
105.06969	76.9
107.04917	2.4
107.08530	59.8
108.56413	1.4
109.06475	6.5
109.10098	36.3
110.07100	7.0
111.08012	7.6
116.98557	1.6
117.06953	13.6
119.08523	88.0
120.08057	8.3
120.08833	1.8
121.06449	3.3
121.10088	54.9
123.07990	5.6
123.11626	14.0
128.06158	1.9
129.06958	7.9
129.10204	10.3
130.07727	1.4
131.04868	3.3
131.08517	44.5
133.06364	1.6
133.10086	48.3
135.08046	8.2
135.11656	28.2
137.05956	11.0
137.09605	2.6
137.13254	6.3
141.06979	1.5
142.07761	8.0
143.08524	36.7
144.09244	2.8
145.10095	79.4
147.08011	2.1
147.11652	39.2
149.09583	13.5
149.13222	15.6
151.07533	3.2
151.11165	2.2
151.14673	1.6
155.08507	3.2
156.09320	10.7
157.10095	45.6
158.10844	2.5
159.11647	68.9
161.05963	2.2
161.13210	25.3
163.07539	3.6
163.11130	14.5
163.14711	12.6
165.09074	2.3
165.12660	2.2
167.06966	1.7
169.10132	3.1
170.10846	8.4
171.11658	25.9
173.13231	36.6
175.11131	2.2
175.14769	33.2
177.12677	6.1
177.16342	29.0
179.14256	2.9
182.10991	2.0
183.11620	8.6
185.13203	44.5
187.14760	50.6
189.12740	8.7
189.16322	32.0
191.14268	3.4
191.17894	7.8
197.13110	5.3
199.14758	60.6
201.16360	28.1
203.14281	10.9
203.17842	3.5
205.03304	1.7
205.15817	64.2
207.17389	8.3
211.14728	2.9
213.16327	2.2
215.17993	3.3
217.15851	14.3
219.17369	10.7
223.16852	5.8
225.16280	2.3
231.17422	2.0
245.15277	3.2
245.18993	1.9
287.62201	1.5
343.15417	1.8
379.30023	1.6
387.30313	2.7
393.31372	7.9
395.27979	1.7
405.31421	24.9
411.32449	7.1
423.32443	39.0
424.33005	2.9
432.66177	1.8
433.30762	2.2
441.33514	100.0
442.33832	10.3
451.31970	36.5
469.32849	11.5
487.34344	2.5
528.38025	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69529	0.3
53.00235	1.7
53.03880	0.4
55.01811	0.6
55.05441	1.0
55.51259	0.3
56.04959	2.7
56.48215	0.4
56.96488	0.6
57.03100	0.5
57.03371	16.0
59.04932	3.0
60.04456	2.9
61.02836	0.4
69.03349	41.6
69.06992	0.9
70.02866	0.6
70.06142	0.6
70.06506	16.3
71.04898	0.4
72.08064	10.0
73.02816	0.6
74.05983	0.7
74.81418	0.4
75.04395	3.7
81.03358	1.3
83.05995	0.7
84.04430	6.9
84.07589	0.7
84.08060	13.0
85.02825	30.8
85.08369	0.5
86.09148	0.5
86.09625	11.2
87.03864	0.9
87.04388	23.5
87.05507	0.6
87.09951	0.5
88.03873	0.5
89.03812	3.0
91.05403	2.6
95.04856	0.7
95.69794	0.3
97.02818	28.7
97.03458	0.9
97.25091	0.4
98.02285	0.4
98.05966	0.5
98.97499	0.7
99.04391	0.6
101.07064	1.0
102.05469	2.1
103.03938	0.5
103.05358	0.9
104.05270	0.5
106.05019	0.4
107.81382	0.4
109.02833	0.5
110.07122	4.0
112.08642	0.6
113.07075	0.9
115.03881	22.5
115.08698	0.5
116.07027	2.4
116.98547	0.5
117.03317	13.4
119.07298	0.5
120.08044	3.7
121.06429	0.7
124.05151	0.4
127.03870	2.2
129.06593	0.7
129.10184	5.7
130.04944	0.9
131.04874	2.7
131.36528	0.4
133.04919	17.1
134.03545	0.9
135.04382	2.8
136.07547	0.9
137.05949	0.9
138.09183	0.5
139.03857	0.4
144.06534	0.4
145.02814	57.9
145.04776	1.7
146.03128	1.0
147.04335	0.5
149.05945	9.1
150.07632	2.9
153.05446	1.4
161.05894	0.7
162.03072	0.6
163.03839	3.1
163.07494	1.7
167.06992	0.8
169.13342	0.5
175.07475	2.4
177.05424	100.0
178.05803	3.5
189.05467	0.6
189.07114	0.5
191.06958	0.9
195.06479	31.3
195.11249	0.5
199.88708	0.4
211.06119	0.4
219.06496	1.8
227.06984	0.8
237.07550	0.8
255.06244	0.4
272.21475	0.6
273.07578	0.5
281.37540	0.4
284.12369	0.5
306.14297	0.4
325.13187	0.7
326.13510	0.6
520.52112	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78029	0.4
55.01813	0.4
55.05450	0.8
56.04974	2.2
56.96484	0.5
60.04441	0.6
69.03355	1.0
70.02870	0.8
70.06511	100.0
71.06837	0.7
72.08073	7.3
74.05972	1.1
74.95970	0.5
81.06967	0.6
82.06476	0.5
83.06012	0.4
84.04430	13.1
84.08073	7.9
85.02857	1.0
85.08376	0.6
86.09629	8.1
87.04413	0.6
88.03916	9.2
89.05933	0.4
91.05425	2.1
93.06996	0.7
95.06042	0.5
97.02862	0.9
98.97577	0.6
101.07077	1.1
102.05494	2.4
103.05403	2.2
110.07117	5.6
116.07038	0.8
120.08061	61.9
121.08434	0.7
125.07072	12.8
129.10275	3.7
130.04977	15.2
130.06519	1.9
131.04904	1.1
133.02843	0.6
136.07556	1.0
137.05975	2.4
147.07629	12.0
152.05707	0.7
152.06972	0.5
159.09135	0.6
159.11429	0.6
167.08182	2.9
171.07652	2.9
175.07491	0.5
177.05466	2.6
185.09189	14.2
193.04918	4.0
196.06000	10.3
201.12341	0.5
203.06999	1.0
213.08661	8.3
217.13248	3.9
227.11832	3.3
231.06354	0.6
249.07500	0.7
254.12915	1.1
255.11198	0.6
277.11691	0.6
281.22995	0.5
294.14456	7.8
297.12119	0.6
300.13242	0.6
321.52377	0.4
325.11957	0.7
360.15527	6.1
383.07666	0.5
391.19870	2.0
431.85629	0.5
462.94812	0.6
488.21375	0.9
506.16458	0.7
506.22522	7.9
508.05264	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	3.4
54.81676	2.6
55.05444	18.3
56.04968	12.5
56.72829	2.4
56.80163	2.2
56.96501	3.1
57.03355	6.6
57.50350	2.0
58.99509	7.2
60.04443	5.6
61.01066	4.7
63.07700	2.3
65.03869	2.4
66.20883	2.4
67.05419	34.6
69.03333	14.4
69.06975	16.1
69.64383	2.5
70.06142	5.4
70.06506	100.0
71.04903	4.4
71.06801	3.5
71.95421	2.4
72.08059	39.4
76.02139	38.8
79.05408	28.0
81.03326	4.9
81.06970	56.6
83.04883	16.8
83.06027	10.9
84.04422	39.3
84.08062	51.6
85.02828	31.2
86.09142	4.7
86.09626	71.3
86.98985	4.7
88.02139	5.8
88.03908	12.5
91.05402	34.8
93.06966	51.1
94.06456	3.4
95.04872	10.2
95.08531	54.0
97.01048	3.5
97.06487	4.2
97.10106	5.9
99.02595	18.8
100.02113	10.6
101.07082	4.1
102.05472	12.3
103.05350	5.6
104.05273	3.2
105.06969	65.5
107.08537	39.1
109.02911	3.1
109.06463	5.0
109.10101	33.0
110.07114	35.5
111.02626	5.3
111.08038	5.1
116.01593	14.7
117.03683	6.9
117.06964	17.4
119.08528	50.3
120.08045	43.5
121.10102	19.6
122.02723	3.1
123.11629	14.1
126.03645	4.9
129.06606	4.8
129.10190	27.7
130.07785	3.3
131.04887	13.8
131.08549	41.8
133.10094	28.3
135.11670	24.7
136.07544	12.2
137.05943	47.5
138.06282	13.7
143.08476	12.1
144.01151	3.4
144.75067	2.8
145.10086	62.0
146.02655	11.6
147.11639	24.3
149.13211	11.6
151.11150	13.0
157.10126	4.5
159.11696	22.8
161.05809	3.3
161.13185	6.8
162.02170	11.8
163.07515	6.5
167.07034	3.6
169.13339	5.2
172.04185	5.4
173.13132	12.9
175.07466	25.8
175.14774	37.0
176.07819	13.3
179.04744	12.4
181.12173	12.3
186.05812	7.2
187.14774	44.8
204.06894	3.2
205.15820	14.6
213.09410	13.2
223.16856	11.8
225.12984	11.4
231.10596	6.9
237.13152	3.9
255.14096	39.3
274.14633	6.8
314.17752	24.7
326.17874	30.8
344.14813	3.8
344.18799	59.9
359.16309	28.9
377.17209	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	506.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33126	0.4
53.03888	0.4
54.43447	0.4
54.81998	0.4
55.05444	1.9
56.04972	0.9
57.03360	0.7
58.91503	0.4
60.04445	0.6
61.02834	0.4
61.86462	0.4
62.47921	0.4
67.05422	1.2
68.04961	0.5
69.03356	3.7
69.03652	0.4
69.06995	5.4
70.06506	7.3
72.08069	5.8
79.05411	2.2
81.03319	0.6
81.06950	3.6
83.04884	0.7
84.04423	3.0
84.08071	6.1
85.02833	3.8
86.09630	9.1
87.04391	17.3
87.08720	0.5
91.05399	2.8
93.06973	5.6
95.04904	0.8
95.08512	2.7
97.02839	1.8
102.05467	0.7
103.65706	0.5
105.06982	3.8
106.06509	4.2
107.04879	0.9
107.07291	3.9
107.08525	3.8
108.08076	0.9
108.08837	0.5
109.06432	2.7
109.10094	0.9
110.07114	2.5
116.98617	0.6
117.06995	0.9
118.06478	1.2
119.08501	3.4
120.08058	7.0
121.10113	3.3
123.08036	0.9
129.10202	3.5
130.06544	2.0
131.04843	0.8
131.07314	0.9
131.08513	1.1
132.08058	5.8
133.10104	2.7
135.08032	0.5
135.11658	1.9
136.07655	0.5
137.05981	2.3
143.08478	0.5
144.08025	4.3
145.09023	0.6
145.10117	2.1
146.09650	2.6
147.11635	1.2
149.13257	2.1
156.08002	1.2
157.08902	0.7
157.10094	0.8
158.09613	3.4
159.11674	2.2
165.08942	0.9
169.08765	0.6
170.09584	2.9
172.11188	2.1
177.12733	2.6
182.09558	0.7
184.11157	3.7
187.14809	0.8
193.11000	1.0
195.13774	7.3
196.11272	2.1
198.12781	2.9
199.14929	0.7
205.15836	0.8
210.12743	2.3
211.13506	0.7
212.14325	5.1
217.22066	0.5
224.14360	0.5
226.15895	3.0
228.17415	4.0
240.17377	8.5
258.18475	22.9
268.13174	0.5
283.15643	5.8
284.16592	0.6
298.18042	7.3
312.15988	0.5
312.19376	3.9
314.21216	1.0
344.22137	25.7
434.06949	0.5
443.61450	0.5
461.31122	2.1
462.31335	1.1
505.84137	0.6
506.27402	100.0
507.27670	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	507.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82977	0.4
54.00891	0.4
55.01804	0.8
56.04964	1.0
56.73883	0.4
56.96494	0.6
57.03356	0.9
60.04441	1.1
65.03860	0.8
68.99702	0.8
69.03355	3.5
70.06506	9.7
71.06824	0.6
72.08057	4.2
74.02328	0.6
74.05984	2.2
76.07555	0.9
79.05409	0.6
79.90350	0.4
83.06033	0.7
84.04424	51.1
84.08057	6.0
84.60063	0.5
85.02836	4.4
86.09628	5.8
87.04377	2.4
88.03907	0.5
89.03849	0.8
91.05379	2.6
92.10240	1.1
93.03303	0.8
95.04858	1.0
97.02847	3.8
101.07062	4.1
102.05486	3.4
104.05270	0.5
105.03291	0.6
107.04903	0.8
109.02827	0.9
110.07088	2.3
111.04356	0.6
112.10158	0.5
113.07028	0.7
115.03877	2.1
117.03300	2.0
119.04875	3.6
120.08035	1.9
121.02804	4.4
122.59435	0.5
123.04378	63.1
124.04826	0.5
129.10181	3.6
130.04964	55.5
131.05058	0.4
132.08034	0.7
133.04898	0.6
133.06001	0.6
135.04379	14.9
135.98293	0.5
136.07582	3.4
137.05957	3.0
139.03880	9.2
139.75516	0.5
144.08058	17.0
145.02815	2.2
145.08414	5.3
146.03104	0.9
146.08745	0.7
147.04393	14.8
147.07619	38.6
148.07967	0.7
149.02313	20.9
149.05922	0.6
151.03891	3.4
152.04619	1.0
153.05420	0.7
161.02312	0.7
163.03856	14.9
165.01770	2.7
165.05380	3.9
167.03329	2.5
169.07611	0.7
171.09142	2.0
173.02367	0.5
173.12753	0.5
177.01788	100.0
177.05293	5.9
178.02127	2.1
178.05798	2.4
179.03326	6.4
181.04892	2.8
189.01797	2.6
191.03320	7.0
193.46265	0.5
195.02843	5.6
195.06483	2.9
205.11839	0.6
207.02843	2.4
209.04408	15.8
217.09647	2.1
218.10004	1.1
219.02905	4.0
221.04478	0.8
227.06891	0.7
237.02910	0.6
255.06430	0.8
258.92700	0.5
273.07471	2.3
283.05981	6.2
290.24005	0.5
301.06821	0.8
311.05334	4.3
329.06540	9.5
330.76205	0.5
343.07983	1.9
345.11957	0.6
361.09091	33.4
362.09290	2.0
391.19153	0.5
507.16953	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	2.4
54.81382	0.9
55.01805	0.8
55.05441	2.2
56.96503	1.1
57.03361	1.6
59.81418	0.9
67.05421	1.6
69.03345	12.9
69.06978	2.0
70.06508	24.1
71.04893	5.3
72.08062	1.7
73.02810	1.0
81.03333	14.8
81.06966	10.0
84.04414	1.0
84.08060	5.0
85.02823	65.0
86.09644	7.9
87.04405	1.5
91.05396	2.2
92.10329	1.9
93.06962	2.4
95.08514	1.8
97.02818	11.8
99.03738	1.6
99.04380	49.8
103.03873	100.0
105.06971	2.3
107.08512	1.4
109.02823	18.1
110.07143	1.9
116.07033	1.4
118.64649	1.0
119.08513	1.1
120.08065	17.1
121.10052	2.0
123.11660	8.4
127.03871	82.2
128.06021	1.0
129.10132	1.0
131.04936	1.6
137.05942	2.0
145.04927	32.8
147.11649	5.0
149.09563	1.2
151.40877	1.1
163.05988	31.7
163.07286	1.3
165.09052	1.3
165.12740	4.2
167.07007	4.7
179.39594	0.9
187.05910	1.7
195.13773	1.5
205.06999	1.3
212.59795	1.1
217.13348	2.3
228.39539	0.9
237.15662	1.3
245.12761	1.4
271.07944	1.4
289.09094	2.4
293.14682	3.9
307.10065	5.4
335.22977	2.0
364.31302	1.0
507.26633	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20730	1.3
55.05460	2.3
57.03363	6.1
57.07011	25.1
58.63036	1.0
64.33845	1.5
64.34794	1.3
67.05437	2.9
69.06976	6.0
71.08540	17.9
76.56083	1.1
77.52222	1.2
81.06971	8.7
83.08543	2.0
85.10117	10.2
88.61313	1.3
89.05941	1.6
95.08528	7.5
109.10092	5.6
114.38032	1.3
172.95306	1.7
176.99223	22.8
195.00253	38.0
213.00102	1.8
239.23613	1.5
269.03833	2.6
313.27277	27.8
353.26456	2.7
415.22043	8.0
419.17490	2.6
489.25540	3.1
507.26828	100.0
508.27548	2.5
525.29504	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	2.4
55.01765	2.4
55.05441	19.9
55.60840	2.8
57.03370	20.3
61.02462	2.7
67.05424	69.0
69.06979	19.9
74.18899	2.6
79.05413	46.1
81.06969	57.8
83.08559	5.5
88.53539	2.7
91.05414	22.5
93.06976	40.5
95.08527	40.1
98.98392	31.1
105.06953	12.2
107.08551	12.7
109.10117	5.2
110.07533	4.0
119.08559	5.0
121.10113	12.7
133.10040	3.2
135.11708	3.6
148.77141	2.8
169.55251	3.0
172.95195	4.5
230.27818	3.8
335.25702	100.0
390.74133	3.4
466.01233	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	507.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11183	1.2
55.05444	1.8
55.85202	1.5
57.07008	2.7
74.29959	1.5
77.08282	1.5
87.48376	1.4
109.10134	3.3
165.14458	1.6
177.11198	1.5
195.09869	3.5
196.25722	1.6
202.34839	1.5
206.62723	1.5
251.12492	2.3
305.48450	1.5
329.80563	1.8
335.39868	1.6
507.36459	100.0
508.36560	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	508.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99487	0.3
52.72931	0.3
55.01806	0.6
55.05449	0.4
56.04965	0.9
57.03345	0.4
60.04444	0.7
65.03846	0.6
67.05424	0.7
68.04924	0.4
68.41630	0.4
68.64851	0.3
68.99708	1.5
69.03347	3.1
69.06973	0.5
70.06510	12.3
71.06844	0.5
72.08054	3.8
74.05972	0.6
76.16626	0.4
77.74730	0.3
79.05396	0.5
79.66345	0.4
81.03289	0.4
84.03945	0.5
84.04431	13.4
84.08070	9.5
84.08899	0.3
85.02827	3.1
85.04762	0.7
85.08434	0.4
86.05979	1.7
86.09637	3.7
87.04395	5.3
87.05513	0.5
88.03911	0.8
91.05396	0.8
93.03317	0.8
95.04881	0.7
97.02818	2.2
97.31536	0.4
98.97520	0.5
101.07057	0.8
102.05461	1.7
104.07033	3.6
105.03317	0.4
107.04881	0.9
110.07106	3.0
110.09617	0.5
112.07545	0.5
112.08656	0.7
114.22647	0.4
115.03866	0.3
115.08588	0.4
116.07063	0.5
116.98579	0.6
119.04893	4.0
119.38349	0.4
120.08041	5.2
121.02798	3.4
123.04382	52.5
124.04694	2.8
124.07558	1.7
127.03870	0.5
129.10220	4.4
130.04958	11.2
131.05319	1.4
133.02840	1.5
134.99632	0.6
135.04378	11.1
136.07530	0.6
137.02209	0.5
137.05965	2.7
138.09129	0.9
139.03883	6.1
145.02895	0.5
145.41667	0.4
147.03212	0.6
147.04385	12.3
147.07632	5.3
148.06104	0.6
148.07990	0.5
149.02319	19.4
150.02650	0.9
151.03853	2.7
152.04683	0.9
153.05428	1.4
154.37881	0.4
159.04353	0.5
163.03853	10.5
164.04314	0.4
165.01793	1.8
165.05452	4.2
166.08595	0.7
167.03366	2.0
177.01791	100.0
178.02141	6.3
178.05717	0.4
179.03368	6.1
181.04913	3.1
181.06371	0.6
183.06424	1.5
184.09677	2.0
185.05801	0.4
189.01817	1.7
191.03326	4.7
195.02901	3.5
199.05881	0.4
207.02872	1.6
209.04419	18.2
210.04765	0.8
219.02879	3.8
221.04410	0.4
227.06819	0.5
255.06468	0.7
273.07483	1.8
283.05914	3.5
301.07034	0.8
311.05460	3.1
329.06528	7.7
330.06778	0.6
330.25507	0.4
355.33493	0.4
361.09125	28.5
362.09442	4.3
508.24948	0.7
509.12601	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33025	0.2
64.96620	0.1
69.03336	0.1
71.35588	0.1
78.77464	0.1
79.05400	0.6
79.29230	0.1
80.62983	0.1
85.02814	0.6
91.05400	0.2
92.10617	0.9
93.06961	1.0
95.04889	0.2
98.48582	0.1
103.05391	5.1
107.04886	1.7
120.08048	100.0
121.08377	2.1
131.04880	2.9
149.05963	1.7
163.05974	0.2
166.08585	25.8
167.08896	0.3
251.06932	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	0.9
54.81630	0.2
55.05444	1.0
56.04962	1.3
56.96484	0.2
57.03363	0.3
60.04447	1.1
61.02859	0.2
65.03877	0.2
67.05405	0.3
67.63774	0.1
68.04978	0.2
69.03355	1.7
69.06996	0.3
70.06145	0.3
70.06512	9.0
71.04909	0.3
71.06830	0.8
72.08070	6.1
73.02846	0.2
74.02345	0.3
74.05980	0.4
75.34892	0.2
78.04635	2.0
79.05394	0.9
81.03331	2.2
81.06996	0.2
83.04897	0.2
83.06010	0.2
84.04437	3.3
84.08068	3.9
85.02830	5.1
86.09627	3.1
87.04382	0.3
87.05507	0.8
87.09982	0.3
88.03920	0.3
93.06965	0.3
95.04884	0.5
96.05650	0.2
97.02827	3.9
98.05978	0.3
98.97498	0.2
99.04380	4.2
99.05430	0.2
101.07082	0.2
102.05497	1.3
103.03242	0.3
103.03880	4.6
103.05390	0.3
104.05256	0.4
106.04088	0.9
107.04919	0.2
108.04431	0.2
109.02820	2.1
110.07134	1.4
116.07082	0.2
117.43009	0.2
119.04891	0.2
120.04392	0.2
120.08060	11.3
121.08396	0.4
123.04392	5.4
124.05194	2.2
126.05461	0.2
127.03892	6.0
129.10185	2.6
130.04953	1.1
130.08548	0.2
133.02827	0.4
133.06042	1.6
134.03577	0.3
136.07567	0.7
137.05959	1.8
138.09064	0.6
145.04953	1.5
147.07697	0.3
149.06038	0.4
151.03882	1.4
152.04657	2.3
156.10165	0.3
163.05983	0.3
167.07007	100.0
168.07329	2.4
171.07605	0.2
177.01855	0.3
181.08476	0.2
183.11220	0.5
185.09180	0.4
193.04933	3.3
194.05263	0.3
201.12274	1.3
213.08578	0.3
229.11797	0.4
252.47020	0.2
263.10141	0.3
280.12918	1.5
313.04767	0.2
388.61295	0.2
456.34192	0.2
508.23541	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07834	0.7
53.00238	3.8
53.03877	1.0
55.01823	1.7
55.05440	1.0
57.03370	24.8
59.04924	6.3
60.04448	2.0
66.57189	1.0
67.05412	0.9
69.03348	70.9
69.06986	1.4
69.47369	0.8
70.06509	15.9
72.08069	2.0
73.02845	1.2
75.04399	6.1
79.05392	1.5
81.03332	4.4
81.06954	1.1
84.04411	6.9
84.08054	5.1
85.02829	50.9
85.03349	1.6
85.52084	0.9
86.09605	6.6
87.04392	39.9
91.05400	5.1
92.10804	1.3
93.06952	1.2
95.04891	29.4
97.02823	43.1
97.10133	1.3
98.05987	1.0
102.05486	1.1
103.03850	1.2
103.05415	1.0
105.06972	9.3
107.04890	1.0
107.08536	1.1
109.06451	6.1
110.07110	1.6
115.00490	1.0
115.03883	35.5
120.08025	5.0
120.23238	1.1
121.06417	2.1
123.04395	8.7
126.05520	1.4
127.03864	5.1
129.10204	3.5
131.34892	1.0
133.04935	27.0
133.06462	5.9
133.10184	0.9
135.07994	1.3
137.05986	13.3
137.09563	5.3
140.04639	10.9
144.06529	3.9
145.04951	4.4
148.06009	1.9
149.09590	1.4
150.07594	3.5
153.05443	1.7
155.06978	5.0
161.06068	1.3
162.07669	1.0
165.09076	64.6
167.06966	1.9
182.09297	3.7
197.11696	100.0
209.11705	10.5
215.84557	1.0
221.17598	0.9
233.11607	1.2
290.96719	0.9
293.13599	1.9
311.14853	2.1
316.62115	0.9
417.05975	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05438	6.6
56.04956	2.0
56.96490	2.3
57.03368	9.3
59.04929	2.3
60.03893	1.0
60.04450	1.9
67.05423	12.9
67.19965	1.1
67.41961	1.1
69.03343	27.5
69.06975	16.5
69.10909	1.0
70.06505	20.4
71.04906	1.5
72.08048	5.9
75.04388	1.7
79.05388	5.7
81.03328	1.3
81.06973	22.6
83.04900	2.0
83.08521	2.4
84.04427	2.6
84.08069	13.5
85.02819	23.3
86.09624	33.3
87.04388	18.2
87.09924	2.7
88.03871	1.5
91.05391	5.8
93.06960	10.5
95.04859	1.4
95.08524	57.5
96.08887	1.1
97.02821	19.2
97.06458	4.0
99.04350	1.2
102.05464	1.7
103.05380	1.9
105.06952	7.5
107.08543	9.3
109.02824	2.1
109.06435	1.2
109.10095	17.1
110.07109	4.6
110.94190	1.4
115.03903	12.7
119.08541	5.6
120.08047	9.6
121.10067	7.5
123.07998	1.2
125.01654	6.9
125.09603	2.2
129.10201	4.9
131.04924	1.6
131.08536	1.5
133.04968	9.9
133.10069	1.9
135.11679	2.3
137.05928	6.6
137.13205	2.8
145.10138	2.3
146.22856	1.1
146.99586	1.3
151.11092	1.4
151.14816	10.3
151.19633	1.1
155.04453	1.9
159.08006	1.6
161.05986	1.3
161.13161	7.2
165.09056	2.2
167.06973	1.4
168.65343	1.2
171.02174	8.1
172.93721	1.0
179.14297	8.9
181.06107	1.8
197.15323	100.0
198.15515	1.5
201.12305	4.0
202.12569	1.4
229.11678	1.4
268.05710	1.2
479.21820	1.8
508.21066	11.0
509.23648	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	508.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.55521	2.1
64.33318	2.0
67.05423	2.4
74.28214	2.2
81.06959	4.0
95.08551	2.5
105.14933	2.4
146.85216	2.6
309.17908	3.2
321.54709	2.8
358.65985	3.1
481.31161	11.2
508.32370	100.0
509.32581	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	508.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71094	0.6
55.05449	16.9
56.04979	0.7
57.03363	4.8
57.07008	8.2
58.06530	0.8
59.04113	0.6
60.08092	21.4
61.02839	3.4
62.30597	0.7
67.05074	1.1
67.05421	20.6
67.37468	0.6
69.06986	24.2
71.07281	11.8
71.08531	4.7
79.05405	11.2
81.06966	22.9
83.04886	0.8
83.08537	22.1
85.02808	3.7
85.10092	1.7
86.09621	80.2
91.05393	0.9
93.06969	14.1
95.08535	17.3
97.02818	1.1
97.06446	6.0
97.10101	9.2
98.98375	4.7
99.08051	1.1
99.94887	0.7
100.70860	0.7
104.10673	100.0
107.08513	7.8
109.10105	7.3
111.08005	3.5
121.10099	20.6
123.11682	5.1
124.99030	1.4
124.99958	41.4
125.09585	1.3
135.11667	16.7
137.13242	1.6
139.11116	1.1
149.13231	4.6
149.39616	0.9
163.14842	1.4
184.07294	98.9
185.07480	1.0
195.00285	1.3
219.21007	12.9
237.22038	17.9
255.23094	5.1
311.25726	18.7
325.27213	3.1
329.26791	10.7
448.14099	0.8
473.31366	0.8
490.32809	7.3
508.27142	2.7
508.33850	39.0
509.33813	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43550	0.3
55.05443	1.2
56.04961	0.5
57.03373	0.7
57.07018	2.2
58.06557	0.2
60.08096	10.4
67.05441	0.5
68.15888	0.2
69.06979	1.1
70.06528	0.5
71.07291	4.1
71.08540	0.5
74.06001	1.0
81.06976	1.3
83.08521	1.0
84.90868	0.3
85.10123	0.3
86.09626	52.9
87.09951	0.5
91.33784	0.2
93.06980	0.5
93.43902	0.3
95.08546	1.4
98.98394	4.6
104.10680	5.2
107.08511	0.5
124.99962	36.4
143.00978	0.6
147.39542	0.3
184.07303	100.0
185.07607	0.7
195.00290	3.3
228.71002	0.3
238.34358	0.3
314.27710	0.9
403.93497	0.3
490.32605	1.2
508.27017	0.5
508.33603	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	509.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47532	0.5
55.23823	0.6
70.06499	1.1
84.04390	0.8
84.08082	1.0
86.09622	1.7
92.10454	0.6
110.07172	0.7
126.05553	0.7
128.47829	0.7
130.02713	0.7
176.61227	0.6
180.89577	0.6
233.97563	0.8
236.27341	0.7
241.39349	0.7
245.06227	2.7
245.10037	2.6
303.13483	0.7
377.14102	48.6
378.14398	1.2
506.21613	0.8
509.18292	100.0
510.18884	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47532	0.5
55.23823	0.6
70.06499	1.1
84.04390	0.8
84.08082	1.0
86.09622	1.7
92.10454	0.6
110.07172	0.7
126.05553	0.7
128.47829	0.7
130.02713	0.7
176.61227	0.6
180.89577	0.6
233.97563	0.8
236.27341	0.7
241.39349	0.7
245.06227	2.7
245.10037	2.6
303.13483	0.7
377.14102	48.6
378.14398	1.2
506.21613	0.8
509.18292	100.0
510.18884	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45293	0.7
53.03887	1.4
54.82350	0.8
55.01795	1.5
55.05449	15.4
56.04978	1.3
57.03371	11.0
57.07006	1.9
57.14695	0.8
59.04943	0.9
61.02856	2.2
65.24057	0.8
67.05425	16.3
69.03345	7.8
69.04201	0.9
69.06989	7.4
70.06506	19.6
71.01268	1.3
71.04910	54.5
72.08069	5.2
73.02827	4.3
73.06503	0.7
75.04388	8.8
79.05398	8.0
81.03319	3.2
81.06976	62.2
83.04901	20.3
83.08522	8.6
84.04437	5.1
84.08075	14.5
85.02828	100.0
85.06422	1.6
86.09644	12.6
87.04400	2.2
88.03915	1.8
91.05403	11.0
93.06975	8.7
95.04893	2.2
95.08537	13.4
97.02852	6.7
97.06451	4.0
98.97515	1.3
99.04385	2.1
101.05950	1.4
102.05482	1.9
103.05451	1.6
105.06978	23.9
107.08550	8.7
109.02811	1.2
109.06474	3.7
110.07109	4.9
111.04408	11.5
119.08518	12.2
120.08072	6.7
121.06443	1.0
121.10094	25.1
123.04427	1.1
123.11661	93.6
124.11956	1.3
127.03857	4.3
127.07519	1.2
129.05437	16.2
129.10234	6.9
131.05910	0.9
135.08035	1.5
136.07564	1.8
136.75029	0.9
137.06017	6.8
137.13243	6.2
137.64374	0.9
147.06525	8.1
147.10487	1.5
147.11664	47.9
149.05951	0.9
151.07530	2.1
161.05972	4.9
161.09572	1.3
165.12701	40.6
175.07547	0.9
183.13751	16.2
201.14803	4.9
212.27695	1.0
309.11768	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00252	0.6
53.03879	0.6
55.05453	27.0
57.03372	20.5
57.07003	3.7
60.75859	0.7
65.03848	1.2
67.05426	56.0
69.06986	31.1
71.04921	0.8
71.08542	0.8
72.56573	0.6
75.41438	0.6
79.05407	15.1
81.06974	57.9
82.07260	0.8
83.04925	1.2
83.08532	14.1
85.06467	0.9
91.05403	8.9
93.06971	13.3
95.04886	1.2
95.08531	41.5
97.06470	3.4
97.10057	5.1
97.48032	0.6
98.55196	0.7
98.98398	22.5
105.06948	6.3
107.08535	8.0
109.06457	0.7
109.10101	10.9
113.07143	0.6
119.08538	5.7
121.10134	6.0
121.38937	0.7
123.11678	3.8
123.33280	0.6
127.25476	0.7
133.10095	4.2
135.11662	2.4
137.13191	0.8
147.11641	4.1
149.13297	0.9
155.01018	4.7
158.93198	0.7
161.13217	1.3
169.81500	0.7
173.02092	1.1
263.23712	1.4
337.27301	100.0
338.27777	1.2
375.70798	0.7
473.26425	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52742	1.0
53.03877	1.4
55.01814	9.5
55.05452	4.5
56.04974	8.2
57.03372	1.4
59.96412	0.9
60.04457	7.9
61.01065	2.5
61.02842	1.1
65.03855	6.8
65.38885	1.2
67.05404	1.3
69.03335	2.1
69.06972	6.9
70.02874	1.6
70.06139	2.1
70.06508	55.4
71.04898	2.3
72.08069	30.5
73.08350	1.5
74.05996	8.4
75.04384	5.8
78.04605	4.9
79.05399	10.7
81.03354	1.8
81.06971	2.7
83.06017	1.9
84.04424	19.2
84.07596	2.1
84.08064	44.2
85.02819	10.3
86.09157	1.5
86.09629	33.7
86.46230	1.1
87.05497	4.6
87.09939	1.9
88.03903	4.6
89.03840	1.2
91.05405	88.3
92.10205	2.4
93.03332	15.5
93.06982	10.7
94.04107	1.5
95.04890	13.1
95.06041	1.2
97.02808	1.7
97.06443	5.3
98.05970	1.5
100.07542	2.3
101.07059	1.3
102.05485	8.9
103.05403	24.2
104.05258	5.4
105.03345	12.0
105.06963	15.9
106.03437	2.2
106.04115	35.0
107.04898	20.2
108.05682	1.4
109.06453	17.8
110.07095	13.7
112.08656	2.3
113.07002	1.2
115.05368	5.2
115.08648	2.2
116.07005	5.0
117.06993	1.9
118.04092	4.7
119.04893	84.7
119.08472	1.4
120.08065	12.1
121.06454	48.7
122.03664	1.6
123.04370	8.0
123.08012	7.8
124.05151	2.6
125.05941	12.0
128.06131	1.8
129.06992	2.6
129.10181	20.7
130.04958	1.4
130.06491	1.4
130.08603	1.5
131.04892	28.2
132.05695	11.7
132.08051	1.2
133.02768	1.7
133.06462	14.1
134.03555	9.4
135.04353	6.8
135.08040	2.3
136.05142	4.5
136.07545	4.8
137.05952	20.8
138.06554	1.7
139.07497	5.3
139.08514	1.4
144.05673	2.2
145.02835	4.4
145.06470	1.9
145.09843	1.1
145.57475	1.1
146.06244	1.5
147.04382	21.7
147.07999	8.0
148.05144	2.7
148.55173	1.2
149.05951	64.2
150.06667	1.4
151.03915	4.5
151.07524	35.1
152.08347	1.7
153.05420	2.3
153.09093	13.6
154.06190	2.3
159.04384	1.6
159.08032	14.7
159.09181	2.2
160.05099	5.3
161.05946	57.1
162.01369	1.8
162.06702	11.2
163.03903	2.6
163.07484	12.1
165.05449	10.7
166.06244	1.2
167.06996	73.2
169.06279	1.1
171.07643	1.1
172.05103	2.0
175.07491	17.3
176.04623	1.7
177.05444	37.9
179.06995	21.4
180.07751	19.0
181.08536	22.5
182.09320	5.3
187.07468	18.1
190.06194	5.5
191.06990	25.8
191.08575	2.1
192.07739	16.2
193.08525	2.1
195.06401	1.5
201.12283	1.2
205.07091	1.5
205.08554	50.2
209.08047	100.0
210.08743	2.4
217.08377	2.2
223.04181	12.4
235.09579	14.1
249.09088	1.8
281.11676	1.5
309.10965	2.0
326.11371	2.0
339.12057	6.0
341.13803	2.2
359.14792	2.7
371.14764	6.4
435.91901	1.2
510.17261	1.7
510.25061	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77247	0.4
53.03874	2.0
54.81969	0.6
55.01809	4.6
55.05439	2.3
56.04962	2.3
57.03357	0.6
60.04439	2.1
61.02834	0.5
65.03845	4.0
67.05434	1.8
67.67304	0.4
69.03337	0.7
69.06985	1.0
70.06138	0.9
70.06505	19.4
71.04909	0.6
72.08067	6.7
74.05982	2.4
75.04391	7.9
78.04616	3.6
79.05412	4.7
81.06958	0.9
84.04437	5.7
84.08061	12.3
85.02827	7.6
86.09627	12.3
87.04401	0.6
88.03886	1.2
89.03835	1.1
89.05932	1.2
91.05399	29.4
93.03328	19.1
93.06965	11.3
95.04894	13.5
95.05965	0.6
95.08575	0.6
97.02817	0.9
97.06454	6.7
98.06034	0.6
100.11163	0.7
102.05478	0.7
103.05397	10.9
105.03320	0.7
105.04458	1.9
105.07013	3.6
106.04114	64.0
107.04876	3.0
107.08514	2.0
108.05653	0.8
109.06435	2.6
110.07115	4.3
111.04379	1.9
111.08018	0.6
112.08630	0.7
115.05402	0.4
115.08607	1.0
116.07032	0.9
117.03310	0.9
117.95649	0.5
118.04086	0.8
118.06470	0.5
119.04897	11.9
120.05679	0.5
120.08045	6.0
121.06452	65.4
122.03607	0.8
122.07253	0.7
123.04340	2.2
123.07980	2.8
124.05156	2.5
125.05952	15.8
129.10210	6.0
130.04999	0.6
130.06480	0.6
131.04916	2.0
131.05890	0.5
133.02852	1.2
133.06465	1.0
134.03586	11.3
135.04337	2.4
135.08037	3.3
136.07558	0.8
137.05945	18.0
138.06741	2.7
139.07527	5.9
145.02835	3.2
146.06010	0.9
147.04347	7.6
148.05135	3.9
149.00502	1.1
149.05952	86.2
150.06496	0.9
151.03853	0.9
151.07523	6.0
152.08258	2.2
153.05470	4.0
153.09073	21.0
153.10252	1.0
159.09138	0.9
161.05930	1.8
162.06778	0.7
163.03935	0.6
163.07484	5.1
165.05443	1.0
165.09076	0.6
166.06200	2.8
167.06956	1.9
175.13759	0.5
177.05420	35.4
178.00760	2.1
179.06947	1.0
180.07784	0.7
181.08549	28.5
183.14948	0.7
188.07054	1.9
191.07014	3.3
193.03133	11.5
193.08600	0.6
203.10307	0.9
209.08049	100.0
210.08365	2.1
227.16531	0.5
280.44040	0.5
339.12180	1.8
343.13620	0.6
348.27115	0.7
371.15213	0.7
402.45740	0.6
410.50259	0.6
510.40076	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03894	1.2
54.81025	1.8
55.01807	6.1
55.05448	8.0
56.04969	8.3
57.03358	2.4
60.04455	7.9
61.02867	1.3
65.03860	4.6
67.05437	5.1
68.61252	1.1
69.03348	5.2
69.06990	6.0
70.02866	1.4
70.06510	56.8
71.04911	2.0
71.06826	1.3
72.08074	28.2
74.06004	10.7
75.04395	7.6
76.55198	1.2
78.04632	1.3
79.05408	7.6
81.03340	1.3
81.06982	2.3
84.04435	18.1
84.08064	31.3
85.02840	10.9
85.08389	1.4
86.09139	2.1
86.09633	42.6
87.05505	1.6
88.03919	2.6
91.04836	1.7
91.05399	27.1
93.03329	15.4
93.06968	15.3
95.04895	15.2
97.02843	1.2
97.06466	5.5
98.05902	1.1
99.04372	1.2
101.07113	1.3
102.05489	9.9
103.05402	11.2
104.05295	1.5
105.03303	1.3
105.06976	6.5
106.04119	51.4
107.04910	2.2
107.08553	6.8
109.06480	2.1
109.10132	1.8
109.47821	1.3
110.07131	18.1
111.04410	1.8
115.08667	4.4
116.07055	2.2
116.98530	1.8
117.06950	1.6
119.04910	13.2
119.08485	1.3
120.06555	4.9
120.08057	48.9
121.06464	54.6
121.08321	1.4
121.10030	1.7
123.04404	4.9
123.08035	2.6
124.05192	1.6
125.03352	1.3
125.05970	11.3
129.06880	1.3
129.10194	14.2
129.12953	1.1
131.04907	5.4
132.08116	1.4
133.02827	1.6
133.06346	2.0
134.03578	9.4
135.04485	1.2
135.08023	12.9
136.07545	1.7
137.05945	20.7
138.06689	2.3
139.07532	5.6
145.02814	2.2
145.59567	1.4
147.04407	9.6
147.11674	1.3
148.05168	2.6
149.05962	79.4
151.03815	1.5
151.07532	6.1
152.14302	1.2
153.05464	4.9
153.09085	24.2
159.07896	1.5
159.09164	1.8
161.05922	1.9
163.03905	1.2
163.07487	8.4
165.05472	2.0
166.06140	2.6
167.06999	1.4
177.05450	32.0
178.00783	2.2
181.08577	25.5
183.14915	2.4
187.14299	1.9
193.03128	13.0
199.07210	1.3
201.12502	1.4
209.08063	100.0
210.08505	1.3
282.07941	1.4
285.13660	2.2
304.12701	1.5
322.13858	1.7
331.08139	1.6
339.12173	1.2
367.15079	1.6
435.22104	1.6
463.22253	1.2
492.32303	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27036	0.5
55.05449	0.4
56.04961	3.4
56.43793	0.4
60.04461	0.5
60.05582	5.1
69.00828	0.9
70.06504	9.1
71.01308	0.5
72.08034	0.6
74.05968	0.8
74.70880	0.4
81.08820	0.5
83.06021	17.0
84.04415	1.2
84.06808	0.9
84.08048	2.6
85.02831	0.8
86.03475	7.9
86.09615	1.1
87.05582	0.6
92.10258	1.0
93.95412	0.5
97.07018	0.7
97.07579	10.1
98.97511	0.5
100.11213	0.5
102.05459	1.0
105.03307	3.1
106.86008	0.5
110.07123	1.3
115.08630	4.4
120.04420	10.7
120.08029	2.1
125.25043	0.5
127.03887	0.6
129.10184	1.2
129.12154	0.5
132.04396	5.6
134.05969	6.4
137.05887	0.6
141.06580	6.4
158.05972	3.1
159.09177	1.1
160.07506	0.6
161.07022	0.8
187.08727	0.7
206.12872	2.2
210.08061	0.6
216.11278	100.0
217.09700	0.8
217.11574	1.0
232.10690	2.8
234.12325	18.2
260.10278	9.1
278.11420	0.8
288.13382	3.1
297.46249	0.6
317.15887	2.3
319.17538	2.9
363.16528	46.9
364.16663	1.1
381.17700	0.9
389.14328	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05446	14.3
57.07010	4.0
64.22068	3.3
65.03872	3.5
67.05427	55.7
69.06984	16.0
79.05402	19.5
81.03334	16.4
81.06971	35.0
85.02838	4.4
86.33414	3.9
91.05394	8.2
93.06982	9.1
94.06487	4.7
95.08530	31.4
96.08052	9.4
97.02793	6.9
105.06974	5.2
107.08537	15.9
108.08068	3.8
109.08859	3.6
109.10112	39.7
110.05987	54.8
110.09646	7.0
121.92753	3.8
128.07040	6.8
164.14444	4.1
194.19038	25.2
353.19577	4.5
439.63873	4.1
452.29846	15.1
510.34198	100.0
510.41135	4.8
511.34872	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	510.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05188	1.8
55.05456	4.2
57.03358	3.7
57.07005	29.6
60.08094	23.1
67.05425	8.7
69.06975	9.5
71.07274	4.9
71.08537	21.7
71.14334	2.0
71.60239	2.0
81.06972	9.1
83.08541	2.5
85.10098	9.1
86.09625	60.7
91.59354	2.2
95.08532	16.6
98.98383	5.4
104.10671	97.1
109.10126	3.0
124.99121	3.4
124.99949	37.5
128.61330	2.6
141.80806	2.5
152.23541	2.4
180.42767	2.2
184.07295	100.0
239.23714	4.8
240.28391	2.2
258.35666	2.5
265.31815	2.2
308.69464	2.4
313.27280	26.9
331.28253	2.5
371.54660	2.7
422.59186	2.6
477.04486	2.7
492.34039	4.5
510.35345	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03898	3.6
54.82373	2.8
55.01807	6.0
55.05449	35.3
57.07008	5.7
65.03862	2.7
67.05427	64.4
69.06986	34.1
71.04912	4.0
71.08562	3.4
79.05403	59.8
81.03340	11.8
81.06977	100.0
83.04899	4.8
83.08552	21.7
91.05399	36.7
93.06967	65.2
95.04905	18.1
95.08526	66.0
97.06472	16.6
97.10125	11.1
105.04438	3.0
105.06962	30.8
107.04917	13.7
107.08534	36.9
109.06464	3.5
109.10095	20.9
111.08025	5.9
117.06968	10.1
119.08549	20.0
121.06486	5.6
121.10094	47.3
123.08026	32.4
123.11645	4.6
131.08554	12.4
133.10103	12.4
135.07994	6.0
135.11624	19.0
137.09621	10.3
145.10069	5.0
147.11661	10.7
149.09621	4.4
149.13176	4.2
159.11662	13.0
163.11128	5.4
205.15839	3.0
281.76920	3.0
319.26315	20.0
329.28531	3.1
357.22238	2.6
357.27759	4.4
375.28876	12.9
389.30716	6.1
396.54279	2.9
421.34357	5.3
439.35718	50.2
445.98007	2.8
457.36707	81.4
458.37021	4.1
475.37082	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	510.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	3.1
57.06741	1.9
57.07013	55.4
57.07418	2.0
60.32152	1.7
67.05434	1.9
69.06976	7.5
71.08549	36.7
73.06455	3.5
73.20733	1.6
76.51494	1.9
79.60822	1.9
81.06947	4.0
83.08540	3.5
85.10105	24.4
87.04378	2.4
89.05951	100.0
93.06927	3.7
95.08494	2.2
97.10116	3.9
121.13074	1.9
133.08554	31.9
177.11177	9.8
283.17352	20.4
299.29422	7.8
493.41022	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	511.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03869	0.6
55.01805	0.9
55.05439	1.3
56.04962	2.6
57.03361	0.7
60.04456	3.9
61.01083	0.7
67.05420	0.6
69.03339	2.6
69.06992	1.3
70.02879	0.5
70.06148	0.7
70.06506	18.3
71.04901	0.7
71.06808	0.6
72.08067	10.4
79.05383	1.3
81.03330	0.6
81.06983	0.7
83.06011	4.6
84.04430	6.4
84.08064	15.7
85.02829	4.3
85.08392	0.8
86.09623	100.0
88.03934	0.8
91.05392	4.6
93.04437	2.7
93.06978	1.0
95.04887	0.7
95.06020	4.3
95.08524	0.7
97.02856	1.0
98.06015	0.7
98.97506	0.9
102.05454	2.5
103.05400	1.9
104.05260	1.1
105.07013	4.6
106.04113	0.7
107.04896	2.4
107.08521	0.8
109.06423	0.7
110.07109	68.5
111.07410	0.8
112.03877	2.4
112.08662	1.2
115.08627	1.1
116.07033	0.6
116.98561	1.2
117.06996	0.7
119.04898	2.3
120.08071	5.0
121.06382	0.7
122.98415	0.5
123.11736	0.5
129.10187	7.1
130.04976	0.6
131.04887	2.0
131.08495	0.9
133.06351	1.0
133.10062	0.6
134.99640	1.0
136.07520	1.3
137.05933	7.0
149.05940	1.2
149.13193	0.5
150.06212	0.5
151.07504	2.0
156.07651	46.7
161.05943	3.3
161.07147	0.8
163.07416	0.9
167.06982	10.5
177.05438	0.8
178.13263	0.7
189.08835	0.7
197.12854	0.8
209.08005	2.3
225.12230	5.7
237.02713	0.9
243.13351	3.1
269.15985	4.1
331.12234	1.0
349.12927	1.3
356.21716	0.8
372.15198	1.0
491.08151	0.6
493.27487	0.8
511.21301	1.0
511.28726	26.2
512.28418	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01726	0.6
53.00249	1.8
53.03877	1.2
55.05187	1.7
55.05448	39.4
55.90392	0.7
57.03372	22.0
57.07010	25.9
67.05076	1.2
67.05423	27.0
67.51456	0.8
69.06982	47.8
71.04903	1.1
71.08543	13.0
75.04408	0.9
79.05399	10.6
81.06971	30.0
83.08530	25.9
85.10093	6.3
89.05936	1.4
91.05426	1.2
93.06973	15.4
95.08524	27.6
97.06457	4.6
97.10088	15.6
98.98388	22.4
107.08517	8.1
109.10093	9.4
111.11660	3.8
114.37192	1.0
116.99427	0.9
121.10078	12.5
123.11658	3.3
125.09476	0.8
135.11635	8.7
137.13187	1.0
144.10178	1.0
149.13260	1.7
155.01007	7.4
173.02040	1.7
176.99446	0.9
216.05414	0.9
230.46458	0.9
239.23604	1.7
265.25229	1.0
285.85037	0.9
293.80789	0.9
313.27173	7.4
314.27527	3.6
337.08105	0.9
339.28860	100.0
340.29141	1.2
362.33313	1.0
475.27731	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28536	5.0
50.44162	4.3
54.38781	4.7
55.01808	6.0
55.05441	27.5
57.03366	11.7
57.06997	6.7
67.05424	68.3
69.06983	39.1
71.04906	7.3
79.05405	39.7
81.06969	68.8
83.08525	10.0
85.06416	5.1
85.34216	5.2
89.05958	6.7
91.05397	22.0
93.06969	52.0
95.08538	68.6
97.06448	10.9
97.10082	8.1
99.08031	11.1
99.87741	5.3
105.06985	25.4
105.56587	5.3
107.04919	4.9
107.08525	28.9
109.06482	55.8
109.10089	22.5
110.26518	4.9
117.07001	5.8
119.08547	10.7
121.06470	5.9
121.10100	26.8
123.07969	8.2
123.11647	9.5
131.08508	11.1
133.10095	8.7
135.08038	26.3
135.11641	20.0
145.10075	11.9
147.11697	6.7
147.68355	5.0
149.09630	9.7
161.09688	6.1
161.13266	6.2
171.11598	6.1
192.47775	5.3
256.26288	100.0
257.54263	5.1
277.54230	5.1
361.30975	27.0
369.62000	5.9
379.31958	11.5
385.31241	7.7
439.35437	23.2
457.36636	79.9
511.34290	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	512.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21296	0.7
55.01791	0.7
55.05438	5.2
56.04962	4.8
56.49842	0.7
56.96499	1.3
57.03375	0.7
58.99515	12.2
60.04439	1.6
67.05421	1.2
68.61772	0.8
69.03356	5.6
69.06978	1.6
70.02862	1.8
70.06504	24.6
71.04905	3.0
72.08067	11.9
74.05973	1.0
76.02139	54.3
76.03901	5.0
79.05402	1.4
81.06962	4.7
82.06544	0.9
83.04901	14.4
83.06008	7.8
84.03938	1.4
84.04421	31.5
84.08057	17.5
85.02820	10.5
85.06469	1.1
86.09621	21.1
86.98975	4.5
88.02124	1.5
88.03922	1.7
91.05381	5.5
93.04459	1.1
93.06950	5.0
95.04890	3.1
95.06021	0.8
95.08503	1.8
97.01038	0.7
97.02802	3.2
97.06461	0.9
99.05489	1.6
100.02127	9.4
100.11180	1.8
101.00555	0.7
102.05465	4.2
103.05393	1.5
105.06978	6.1
107.04882	1.3
107.08532	7.5
109.06474	2.9
109.07577	8.1
109.10088	1.7
110.05972	0.8
110.07110	18.9
111.02583	3.8
116.01620	29.7
117.06966	3.5
119.04887	1.3
119.08514	8.0
120.08044	7.5
121.06438	9.9
121.10094	7.9
122.07101	1.1
123.08002	3.6
125.04169	4.2
126.03700	0.9
129.06587	4.7
129.10185	10.0
130.04941	10.2
130.06517	1.1
130.07713	1.2
131.04953	0.9
131.08530	0.9
133.06409	1.3
133.10115	3.4
135.05530	0.9
135.08009	4.8
135.11644	13.9
136.07541	3.8
137.04179	5.2
137.05974	4.7
137.09579	1.9
139.02119	6.2
141.04781	3.3
142.03197	18.1
143.08492	0.9
144.01117	12.1
144.09314	2.0
145.04999	1.5
145.06085	4.2
145.10083	5.7
147.07953	3.9
147.11459	1.1
148.07561	0.8
149.05948	3.7
153.03601	5.6
153.06557	3.9
153.12727	4.8
155.08109	8.8
157.04243	1.9
159.11646	9.2
161.09555	1.3
162.02162	24.1
162.10352	2.8
163.05727	1.5
163.11134	46.7
165.03650	24.4
166.03127	0.8
170.02669	7.1
177.12701	2.0
179.04814	15.7
181.03171	3.7
187.05330	6.0
187.11107	4.5
193.03142	3.6
195.08398	6.0
199.05261	2.9
199.07103	3.5
202.12492	0.8
203.04828	11.4
205.12172	17.4
206.06308	4.9
211.07140	1.0
218.69444	0.9
219.08456	0.9
221.10011	0.8
223.15643	0.8
227.04785	3.6
233.05875	14.6
237.09378	9.3
245.05838	17.4
245.09724	1.5
252.06860	1.0
257.07645	1.3
262.12433	3.4
308.09033	3.6
309.09045	1.3
319.14386	1.0
333.20679	1.0
365.15204	100.0
366.15460	4.9
383.16098	4.1
437.17310	21.5
449.17102	4.1
495.17786	0.9
512.20544	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	512.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00290	0.4
53.00247	0.9
53.03881	0.5
55.01812	0.9
55.05447	9.0
56.04932	0.7
57.03372	16.6
57.06993	0.6
59.04935	4.5
60.04459	0.7
60.43968	0.5
60.82529	0.5
67.05076	0.6
67.05426	16.6
69.03348	50.6
69.06990	5.9
70.06502	3.2
71.04906	5.2
72.08067	1.4
73.00036	0.5
73.02837	1.2
75.04378	3.3
79.05406	6.5
81.03333	1.2
81.06973	60.4
83.04894	3.4
83.08530	8.8
84.04439	1.2
84.08056	3.2
85.02825	39.4
85.06465	3.9
86.09616	2.9
87.04393	26.1
91.05412	9.6
93.06967	9.5
95.04889	1.1
95.08530	13.0
97.02826	35.3
97.06456	2.7
99.04376	2.3
105.06975	24.6
107.08528	9.8
109.02834	1.4
109.06461	3.1
109.10110	1.0
110.07133	1.3
111.04382	0.7
113.05949	0.9
115.03880	25.0
119.08535	15.0
120.08044	1.3
121.10099	21.9
123.04372	1.0
123.08032	2.2
123.11658	100.0
124.11977	2.5
127.03867	3.4
127.07460	1.1
133.04932	19.8
135.59258	0.6
137.05960	0.9
137.13210	4.5
145.04922	3.9
147.11662	53.4
148.11952	1.0
150.07597	2.4
153.12721	3.3
165.12715	48.1
166.12964	0.7
169.08577	1.4
171.11745	0.7
180.60956	0.5
183.13754	24.9
187.11055	0.7
195.84866	0.6
201.14827	13.2
255.56616	0.6
259.08057	0.6
261.83670	0.6
295.10138	3.2
397.06454	0.7
465.14615	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82267	1.5
56.96504	1.9
57.70137	1.3
59.68622	1.6
69.07007	1.5
70.06500	3.1
72.08062	1.7
79.79801	1.4
81.06995	1.7
82.78375	1.5
84.08060	1.9
92.10221	3.0
93.53524	1.6
94.44244	1.5
105.06981	2.1
109.10886	1.6
137.05882	1.6
141.00226	1.7
162.48785	1.4
171.48851	1.5
226.84575	1.7
249.74721	1.6
475.16913	2.0
492.00531	2.0
513.05841	3.3
513.13599	100.0
514.13385	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	513.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	2.2
54.44660	0.4
55.05434	1.1
56.04959	1.3
56.96498	0.7
57.03365	1.2
59.04932	10.4
60.04451	0.6
61.02848	1.2
69.03069	0.4
69.03349	8.4
70.02876	0.8
70.06136	0.8
70.06509	19.4
71.04889	1.1
71.06822	0.8
72.08073	6.6
73.02805	0.7
74.05983	1.0
79.05392	2.1
81.03322	6.2
81.06952	0.6
84.04424	5.5
84.08066	13.0
85.02825	16.0
86.09618	7.0
87.04390	2.8
87.05493	0.7
88.03901	0.6
89.17567	0.5
91.05386	1.1
93.06956	0.7
95.04906	0.7
97.02826	19.0
97.03809	0.6
98.97528	0.8
99.04361	3.5
102.05493	1.2
105.05412	1.2
107.04886	3.7
107.08541	0.6
109.02817	5.3
110.05980	0.7
110.07108	5.4
116.07051	0.8
116.98566	0.8
120.08045	2.1
127.03868	11.1
127.08704	0.6
128.98552	0.7
129.10199	8.4
130.05037	0.9
130.10631	0.5
133.02824	0.8
134.99612	0.8
135.04384	0.7
136.07620	1.7
137.05923	1.3
139.03885	0.9
141.10216	1.2
145.04938	9.5
146.99651	0.7
153.05461	0.8
167.06917	1.2
169.04691	2.3
169.09819	0.7
185.04210	4.0
191.03075	0.8
193.04912	7.4
194.05350	1.0
206.05481	9.9
207.06306	4.8
213.12036	0.5
231.08636	2.9
237.02707	1.2
246.62064	0.5
249.09573	4.4
267.08325	2.9
269.06189	0.6
287.12970	0.6
316.10889	0.6
329.08414	5.9
330.08807	0.7
369.11472	3.0
451.15417	4.4
453.07339	0.7
453.13623	3.9
513.15601	100.0
514.15948	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	513.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81571	2.3
55.25301	2.2
55.56713	2.2
56.96500	100.0
61.40394	2.3
82.98370	2.7
84.95945	12.7
92.10857	3.7
98.97502	46.1
116.98569	46.3
118.67458	2.6
119.08532	16.4
128.98549	10.5
134.99626	36.7
143.00124	36.1
146.99602	14.1
153.00699	6.4
158.99556	2.8
161.01189	82.8
166.01756	2.8
173.01176	3.3
177.00606	3.3
179.02219	12.0
189.00728	2.7
191.02211	3.4
203.02235	4.8
211.06450	3.7
224.00052	2.3
227.05814	4.5
235.06296	3.2
251.05838	18.3
253.07349	3.0
264.84616	3.6
269.06833	18.2
271.04169	2.7
277.07278	9.3
337.09528	2.9
379.10376	4.2
453.15622	15.7
471.16833	27.6
487.38675	3.1
513.17792	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01904	0.7
56.96498	70.8
60.67384	1.0
71.18537	0.7
71.95155	1.4
74.97519	0.8
79.93930	0.8
84.07940	0.8
84.95960	5.8
91.05392	1.0
93.06995	1.3
98.97510	64.5
105.06973	1.5
107.08561	1.0
116.98564	63.0
119.08518	19.2
119.09184	1.0
124.99065	6.4
128.98586	3.6
131.00182	1.1
133.10091	3.8
134.99619	34.7
140.00197	1.1
143.00130	60.3
145.01692	3.0
146.99646	4.1
149.01147	2.1
153.00661	6.8
158.01106	1.1
161.01176	100.0
161.09512	1.2
166.01677	1.1
170.99605	1.0
173.01202	4.4
179.02232	14.6
184.02866	4.7
185.01099	11.0
189.00761	1.4
191.02101	1.9
203.02313	6.5
209.04817	1.7
211.06418	1.9
223.06491	1.2
227.05762	1.7
235.06450	2.1
236.24167	0.8
247.06357	1.2
251.05844	13.8
253.07484	4.1
259.06540	1.2
265.07401	4.6
269.06976	10.0
277.07434	9.8
283.08572	3.5
295.08627	5.3
379.10562	4.2
388.15073	1.3
453.15866	7.8
471.16806	16.0
489.17831	5.0
513.17902	64.1
514.18054	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	513.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87274	0.8
55.05439	1.8
57.06996	1.0
58.03708	0.7
62.43162	0.8
67.05407	1.2
69.06966	4.8
70.85413	0.9
78.84317	0.7
79.05395	1.1
81.06973	2.0
83.08531	2.0
86.09603	1.0
95.08519	1.6
141.73929	0.9
144.02313	0.9
184.07335	1.4
335.44440	0.9
339.28650	1.1
340.29086	6.9
341.29352	1.3
390.76501	1.0
414.03989	1.1
498.91956	1.0
512.80103	1.0
513.30237	100.0
514.30786	2.0
515.67609	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03887	0.4
55.01815	1.3
55.05443	2.0
56.04975	1.7
60.04444	1.6
66.01250	0.4
67.05416	1.5
68.99706	0.4
69.03345	1.5
69.06980	1.4
70.06142	0.7
70.06514	20.8
71.04907	0.7
71.06836	0.6
72.08070	7.5
74.05976	1.7
74.09613	0.4
75.49543	0.3
76.27144	0.3
78.04642	0.4
79.05402	1.7
81.03323	0.8
81.06968	3.1
82.06466	0.3
83.04900	1.7
83.05991	0.6
84.04428	5.3
84.08071	8.1
85.02838	3.0
85.03987	0.3
85.08395	0.5
86.09142	0.6
86.09632	11.9
87.05498	0.5
87.09998	0.5
88.03905	0.8
91.05396	2.2
93.06981	0.7
95.04893	2.4
95.08538	0.7
97.02820	2.9
97.07529	0.5
99.04367	0.6
100.11198	0.6
100.89013	0.3
101.07120	0.4
102.05483	0.8
103.05404	0.8
104.05208	0.4
105.06967	0.8
106.04108	0.5
107.04901	2.7
107.08518	0.7
109.02814	0.9
109.06471	1.5
109.10085	0.5
110.07114	8.0
111.04395	2.2
112.08673	0.9
115.08643	0.8
116.07081	0.6
119.04913	0.8
119.08517	0.4
120.08056	3.7
120.47109	0.4
121.06458	1.6
122.40025	0.3
123.04410	3.6
124.05169	0.8
127.03871	1.9
127.07432	0.5
129.10178	3.7
130.04973	0.6
131.04886	1.4
133.02856	0.9
135.04350	0.5
135.07973	0.4
136.07558	2.0
137.05956	4.8
137.09610	0.4
139.03885	56.8
139.99362	0.3
140.04202	0.8
144.13837	0.4
145.06433	0.5
147.04384	0.5
149.05946	2.6
151.03860	1.4
152.04674	0.6
153.05402	1.3
153.12743	0.8
159.04387	2.2
161.05974	0.5
163.03854	3.7
163.07558	0.5
165.05431	2.1
167.07008	100.0
168.07326	3.1
173.05882	0.8
177.05408	8.8
181.04945	0.9
191.06966	2.4
197.08080	1.7
201.12315	0.4
209.07997	0.9
223.09625	1.5
243.20641	0.4
243.25635	0.5
251.09108	0.6
317.09894	0.4
335.11151	8.2
352.15198	1.4
485.91959	0.4
514.29553	3.3
514.39008	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03874	0.4
54.81940	0.4
55.01797	0.8
55.05442	0.8
56.04962	1.5
57.03368	0.8
60.04443	1.7
63.44971	0.3
63.54189	0.3
63.54524	0.3
67.05410	0.9
69.03340	0.7
69.06979	1.5
70.06507	13.9
70.79374	0.3
71.04897	0.5
71.06828	0.5
72.08068	5.1
73.02827	0.3
74.05972	0.7
74.52837	0.3
76.56732	0.4
78.04611	2.4
79.05410	6.4
81.06956	1.4
82.29642	0.3
83.35742	0.4
84.04430	5.2
84.08064	7.1
85.02804	0.8
86.09627	10.2
87.05512	0.5
88.03919	0.5
91.05408	4.1
92.10276	0.8
93.06965	1.5
95.04910	5.7
95.08533	0.6
97.02798	0.8
99.04418	0.4
102.05481	1.8
103.05405	1.7
105.04427	0.6
105.06964	1.6
106.04142	1.4
107.04902	12.5
107.08535	0.5
109.02843	0.4
109.06445	0.6
110.07103	6.4
111.04327	0.5
112.08733	0.4
115.05414	2.1
115.08659	0.6
115.96151	0.3
116.07025	0.8
117.06953	2.4
119.04900	1.7
119.08466	0.4
120.08013	2.6
121.06442	2.6
122.03598	0.8
123.04373	8.8
123.08025	0.4
124.05174	4.0
125.05939	1.7
127.03860	0.5
129.10188	2.9
130.04099	0.6
131.04897	5.2
132.05699	0.5
133.02827	0.6
133.06418	1.7
134.03587	0.4
135.04396	0.8
135.07973	0.8
136.07542	2.4
137.05952	7.8
139.03941	0.5
140.04654	7.3
141.10243	0.5
143.04900	2.3
144.05617	0.5
145.06454	2.2
147.04356	0.7
147.07950	0.9
148.05096	1.5
149.05977	3.8
151.03879	2.5
151.07516	3.4
152.04695	3.2
153.05460	4.8
155.06992	5.5
159.04369	1.6
160.05165	2.5
161.05949	19.0
162.06520	0.7
163.03838	0.7
163.07487	3.2
165.05551	0.6
165.06935	0.5
167.07002	100.0
168.07352	2.3
169.13397	0.4
171.04202	0.4
171.11401	0.6
172.05154	2.6
173.05887	0.5
174.06721	2.4
175.07491	11.5
176.04611	1.4
177.05429	1.8
177.08969	0.4
178.07716	0.6
179.07002	1.6
179.08496	0.6
181.06462	0.8
181.08557	0.4
183.08014	0.6
187.07458	0.7
188.04674	0.7
189.06982	0.6
189.08920	0.7
190.06198	0.6
191.06972	6.0
191.08458	0.6
193.08464	0.7
194.07257	0.8
195.08032	2.1
199.07243	0.4
200.89252	0.4
203.06982	13.6
205.06458	1.8
205.08305	0.6
206.07175	0.7
207.08035	2.3
208.04958	0.5
209.07848	0.7
209.09578	2.0
210.06680	0.5
211.07549	0.7
211.14601	0.4
212.08244	0.4
218.07204	0.6
219.07988	2.7
221.06038	1.2
221.08037	3.1
222.06705	1.6
223.07489	2.0
224.08255	1.4
225.09090	1.6
226.06055	0.4
227.06914	0.7
229.10626	0.8
231.08015	0.4
233.06050	1.0
233.08072	3.8
234.06622	0.9
235.07455	4.5
236.08255	0.6
237.09001	3.4
239.07005	0.5
240.07738	1.4
241.08446	1.7
241.10670	0.5
247.07512	1.9
248.08275	0.4
249.05428	1.8
249.09088	0.8
250.06180	0.5
251.07042	3.5
252.07640	1.4
253.08464	1.7
254.09302	0.6
255.06386	0.7
255.10254	0.8
263.07077	2.5
264.07700	2.3
265.04721	0.4
265.05951	0.3
265.08392	2.8
266.09262	0.7
267.07101	0.4
267.10080	4.5
268.07239	0.7
269.07999	1.7
269.11548	0.5
271.09561	0.5
277.08530	0.6
278.09457	1.8
279.06464	1.8
279.10089	1.7
280.07208	2.1
281.07986	1.6
281.11646	1.7
283.09625	4.4
285.07593	0.4
285.11118	0.7
287.17761	0.4
292.07251	1.7
293.08066	1.4
294.08450	0.5
295.06247	0.6
295.09476	3.8
296.06720	0.4
296.10080	0.5
297.10907	3.1
299.09021	1.6
299.12729	3.7
301.10757	0.8
303.12360	0.4
307.09570	3.0
309.07477	0.7
309.11108	0.6
310.08286	0.6
312.09811	1.4
313.10797	0.9
314.11353	0.8
315.12213	4.3
317.13770	0.9
323.08978	0.7
324.09708	2.5
325.10544	2.2
326.11273	0.7
327.12164	2.5
330.10840	2.1
339.12225	9.1
342.11066	0.6
343.11655	0.6
344.12369	0.9
345.13278	5.0
355.11542	0.7
356.12601	0.4
357.13184	5.5
369.13153	0.6
373.12650	1.3
374.13419	3.1
375.14294	23.9
376.14743	0.7
387.14511	0.5
401.16425	0.8
413.15930	0.8
419.16901	8.7
427.43686	0.4
431.16809	1.6
436.96695	0.4
449.17969	5.7
459.86490	0.4
526.15533	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	2.0
56.04971	1.7
56.96500	0.6
57.03362	0.7
60.04443	0.6
67.05434	0.5
69.03335	1.6
69.06979	1.5
70.06506	100.0
71.04904	0.4
71.06847	0.8
72.08064	4.3
74.05991	0.4
79.05424	0.4
81.06963	0.9
83.04914	0.5
84.04422	3.6
84.08062	7.4
85.02810	2.7
85.03960	0.4
86.09621	17.9
87.04421	0.4
88.03912	1.6
91.05402	1.6
93.06964	0.5
95.08534	0.8
96.08070	0.4
102.05476	0.6
105.06967	1.7
107.08543	0.7
109.10123	0.6
110.07123	3.4
115.08630	0.6
119.08532	0.5
120.08018	2.9
121.06455	0.7
124.07514	0.4
127.03851	0.4
127.08636	5.6
129.10158	3.2
131.08546	0.5
132.10205	1.6
134.08728	0.4
135.07983	0.4
136.07532	0.6
137.05952	1.5
138.09076	0.6
141.10182	1.8
143.11777	1.5
145.10120	0.6
151.03944	0.4
155.08110	7.5
156.10196	1.5
157.10205	0.6
159.11652	0.8
164.85535	0.4
173.12936	0.5
183.11357	1.0
189.09033	0.4
189.12390	2.5
197.13115	0.5
201.12265	6.0
229.11784	0.5
241.15504	0.4
286.17538	28.0
299.19992	1.6
317.20935	0.4
326.16879	0.6
335.22098	2.5
336.08609	0.4
468.56564	0.4
492.18192	0.4
514.22260	0.6
537.50555	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79175	1.3
54.81631	1.9
55.01797	2.8
55.05442	3.7
56.04933	1.9
56.60286	1.4
57.03369	2.9
61.47024	1.4
67.05421	2.3
69.03342	8.4
69.06979	26.8
70.06500	19.3
71.04899	2.9
72.08066	7.4
73.60641	1.4
74.27650	1.5
79.05408	2.8
81.06981	12.2
81.42467	1.6
83.08542	7.2
84.08059	10.0
85.02821	18.8
86.09617	12.1
91.05399	7.8
93.06969	11.2
95.04891	3.5
95.08522	11.2
97.02835	5.9
97.06433	3.5
103.05389	2.5
105.06969	26.0
105.56470	1.4
107.08541	11.0
109.06451	1.8
109.10102	8.9
110.07063	3.3
111.08015	2.5
113.09608	2.1
113.90261	1.6
115.03841	1.7
116.95919	1.7
117.06961	3.6
119.08528	17.1
120.08049	3.4
121.06475	9.7
121.10118	2.1
125.09620	2.7
129.06979	2.8
129.10204	3.6
131.08540	19.8
133.10101	6.6
134.99634	1.6
135.08058	7.4
135.11630	3.0
137.05978	2.1
141.06905	2.5
142.07796	2.9
143.08536	12.6
145.10097	24.8
147.08057	10.0
147.11696	7.3
149.09552	3.3
151.11139	2.5
155.08536	12.4
157.10117	20.0
159.11664	14.9
161.09589	3.0
161.13214	3.5
167.07027	3.1
169.10089	8.7
171.07965	2.0
171.11641	12.8
173.09511	2.6
173.13213	8.4
175.11185	12.0
181.10005	2.2
183.11690	11.8
185.13193	10.1
187.11052	2.3
189.12633	2.3
195.11688	7.0
197.13213	10.5
199.14743	7.2
201.12659	3.4
207.13687	2.2
209.13228	2.6
211.14853	7.9
213.12752	3.3
213.16344	7.2
215.14209	2.3
225.12946	2.2
227.17947	3.5
235.08923	1.6
237.16351	10.5
239.14137	2.4
239.17873	4.1
243.17395	2.3
253.19527	6.6
255.17400	15.1
257.18823	2.4
271.20502	8.2
273.18518	2.7
281.19000	13.2
299.19977	26.0
317.20972	41.1
335.22067	100.0
336.22400	6.9
349.69330	1.9
442.84424	1.6
514.19574	17.8
515.19745	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	514.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03873	1.2
55.05442	6.3
56.04960	1.2
56.96494	1.1
57.03381	9.8
57.07024	1.1
61.02848	2.1
61.33191	0.9
64.56291	1.0
67.05409	2.2
69.03357	8.6
69.06995	7.7
70.06509	17.6
71.04923	2.2
72.08063	4.5
73.56286	1.0
73.68556	1.1
77.90971	1.3
79.05390	2.0
81.03329	1.5
81.06978	10.0
83.04901	2.0
83.08521	4.9
84.04406	1.3
84.08064	6.5
85.02832	18.9
85.06470	1.1
85.12438	1.0
85.96480	1.1
86.05984	2.4
86.09644	10.4
87.04408	1.6
91.05392	6.9
93.06979	10.5
95.04872	2.6
95.08527	10.3
97.02796	6.7
97.06473	21.5
99.04324	1.3
99.07992	2.8
101.05962	1.2
105.06976	66.0
106.07351	1.1
107.08539	7.9
109.06467	1.6
109.10104	10.1
110.07082	2.1
111.08027	11.8
113.05908	2.3
117.06933	5.1
119.08537	16.2
120.08080	2.6
121.06464	2.7
121.10068	6.1
129.06947	4.3
129.10204	2.2
131.08534	42.5
133.10083	6.3
135.08009	2.2
135.11569	1.3
137.09569	1.6
141.06938	1.7
142.07700	2.1
143.08539	25.7
145.10097	43.9
145.11241	1.9
147.08028	1.1
147.11624	2.6
149.13257	1.2
155.08527	10.3
156.09323	4.6
157.10100	51.4
159.11673	53.2
159.12985	2.0
161.09593	1.5
161.13263	2.7
167.14319	2.3
168.09331	2.2
169.10109	13.8
171.08124	1.4
171.11653	35.5
173.09595	1.3
173.13251	15.5
174.02986	1.1
177.61855	1.1
181.10088	9.0
183.10112	1.7
183.11662	21.2
185.09523	1.5
185.13203	7.5
185.15398	2.3
187.11195	1.6
187.14803	8.9
189.12732	1.3
193.10062	1.2
194.10706	1.7
195.11688	16.5
197.13188	13.5
199.11131	1.7
199.14813	17.5
201.12764	1.9
201.16290	1.2
202.52014	1.1
207.11678	2.3
208.12430	1.9
209.13245	7.0
211.14758	12.5
213.16420	4.2
221.13281	1.5
222.13966	1.9
223.14819	1.8
225.16365	4.2
226.13622	1.1
227.14227	4.6
227.17911	6.4
229.15759	1.9
237.16379	20.7
239.17819	2.5
243.17349	1.5
245.15300	1.5
253.15674	1.2
253.19424	4.7
255.17398	32.1
263.17807	2.1
271.20474	2.4
272.29819	1.1
273.18362	13.0
281.18893	7.3
283.13257	1.2
287.44110	1.3
299.16891	1.6
299.20026	27.8
317.21036	29.0
335.22110	100.0
336.22385	6.4
472.31326	9.8
472.81793	2.1
483.30283	2.2
483.80786	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	514.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81665	11.0
55.05461	25.0
57.07003	15.8
61.87859	10.2
64.33400	16.8
67.05402	49.1
69.06963	17.1
70.06509	16.4
81.06960	100.0
84.08049	57.3
89.05947	28.3
93.06969	49.2
95.08528	20.6
96.07993	16.1
105.06973	57.0
107.08526	24.4
108.08047	51.2
109.10066	15.9
110.09609	14.3
119.08524	28.8
192.13980	12.6
460.78223	14.3
496.34229	91.4
513.50806	17.0
514.35706	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	515.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05434	0.9
56.04963	3.0
56.96495	6.1
59.66029	0.5
60.04457	1.2
69.03324	0.7
69.06979	0.8
70.06137	0.9
70.06508	24.6
71.70896	0.7
72.08070	11.8
74.05980	1.1
81.06963	0.7
84.04426	10.5
84.08062	14.4
85.02811	1.6
85.04791	0.6
85.06445	1.0
86.05978	0.7
86.09624	13.2
87.05513	1.0
89.07018	1.0
91.05401	1.0
92.10539	1.3
97.02859	0.8
98.05942	1.0
98.97509	21.0
102.05454	3.3
103.05406	1.4
110.07119	8.5
110.97532	0.9
111.07391	0.7
111.99805	0.6
112.08617	0.9
112.48080	0.6
113.10902	0.7
115.08546	0.6
116.06997	0.9
116.98565	22.1
120.08035	1.6
121.06439	0.8
128.98555	1.6
129.10191	8.7
130.04971	1.1
131.04915	7.6
134.99617	14.7
136.07616	0.8
137.05997	0.8
146.07201	5.1
146.99580	2.5
153.00632	1.0
154.88741	0.9
158.99614	8.0
161.01152	0.8
161.09596	4.7
163.07492	1.6
170.99617	1.1
171.11285	1.1
175.08670	1.0
177.00670	18.1
185.99802	1.2
193.01512	1.0
195.01790	1.0
195.11275	1.0
197.01183	5.0
204.00908	5.5
211.02727	2.7
215.02226	1.4
219.01662	2.8
221.01205	2.9
222.01933	40.1
223.02509	1.0
235.99719	1.0
237.02477	8.4
239.02193	1.6
240.02995	100.0
241.03497	1.3
245.03342	0.9
248.03264	0.7
251.02150	4.3
252.47853	0.7
254.00726	0.8
255.05370	35.9
258.04053	73.5
263.04581	1.1
269.03256	36.6
269.06186	1.4
273.06400	47.2
278.07175	0.8
281.07056	2.7
287.04422	6.3
291.07492	1.1
296.07809	1.1
297.06345	1.2
299.07935	3.4
311.07965	24.9
329.08856	7.6
348.05292	0.8
353.08997	2.9
385.19965	0.8
395.09940	0.9
399.09418	0.8
455.12125	64.2
456.12460	1.2
459.75461	0.7
473.13226	20.3
495.51096	0.8
515.14014	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	515.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05435	9.7
56.04965	8.9
56.96504	18.7
57.03371	2.6
60.04451	8.8
61.01085	2.1
67.05427	5.0
69.03344	8.0
69.06984	3.8
70.06511	100.0
71.04900	3.7
71.06839	5.1
72.08070	42.7
74.05986	4.2
79.05433	2.4
81.06956	4.4
83.08533	2.1
84.04412	25.5
84.08066	73.0
84.95939	1.9
85.02829	14.5
85.08336	2.2
86.09623	71.3
88.03910	4.0
91.05416	16.5
93.04483	3.7
93.06972	3.7
95.04873	4.1
97.02824	4.8
98.97506	24.9
102.05469	9.4
103.05384	2.1
105.07000	3.0
107.04881	3.4
107.08540	3.0
107.45007	2.4
109.10101	4.0
110.07112	35.1
110.97505	3.0
115.97818	2.3
116.98569	31.6
119.08543	3.5
120.08044	13.6
126.05467	3.9
127.03817	3.3
128.02237	2.6
128.98582	18.4
129.06572	1.9
129.10199	46.1
130.04993	2.6
131.04889	2.1
134.99634	24.1
136.07553	10.4
137.05939	9.2
146.06026	3.5
146.99638	20.5
148.06038	2.4
151.04037	2.6
153.00700	3.9
156.07678	2.4
157.13293	2.9
158.99651	8.5
161.01207	11.7
162.99161	2.1
165.00748	2.4
167.06993	18.2
168.07365	2.5
170.99597	5.1
171.11450	2.2
177.00705	20.7
181.08521	3.1
189.00687	4.2
195.01672	3.2
198.51894	2.0
201.00717	3.4
207.03279	13.6
213.23602	2.2
219.01640	17.5
225.04218	14.9
237.02756	44.5
255.03926	2.7
261.01352	2.4
275.13626	2.3
281.91165	2.1
286.53018	2.4
309.06454	11.5
327.07425	55.5
328.07736	3.0
395.09872	4.0
455.11923	18.8
473.12985	3.1
515.13593	3.1
542.37000	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	515.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00237	0.6
55.05444	3.1
56.04973	4.4
58.06533	0.7
58.99509	0.7
59.43497	0.5
60.04454	8.4
65.03877	0.5
67.05412	3.8
69.03348	1.3
69.06979	3.8
70.02876	0.8
70.06506	38.8
71.04895	1.3
71.06844	1.2
72.08069	17.7
74.05994	7.0
76.02126	0.9
77.47015	0.7
79.05402	2.8
80.04901	0.7
81.03312	1.4
81.06963	6.4
82.06477	1.2
83.04890	1.0
83.06017	1.2
84.04421	12.7
84.07592	1.2
84.08064	23.3
85.02817	2.8
86.05994	1.0
86.09141	1.0
86.09626	18.8
87.05511	0.9
88.03921	1.4
91.05398	25.4
93.06952	4.8
94.07318	0.7
95.04871	3.0
95.06037	1.0
95.08538	5.7
97.02834	1.2
97.06502	0.8
98.05973	2.7
98.97503	1.4
101.07028	0.6
102.05474	2.7
103.05382	5.8
105.06963	3.9
107.04897	1.4
107.08552	2.8
108.04439	0.8
109.06483	0.8
109.10126	2.6
110.07112	13.6
110.10466	0.8
111.04363	0.7
111.07414	0.9
112.08665	0.9
113.07079	0.9
113.09579	0.8
115.08648	1.1
116.07044	3.7
116.98579	0.8
117.05624	0.7
117.06930	0.9
118.06483	64.9
119.04903	5.0
119.07283	4.8
119.08523	3.1
120.08053	12.7
121.06466	1.1
121.10072	0.9
122.02682	2.3
123.04395	6.1
123.11649	2.6
125.07069	0.7
126.05465	2.8
128.07053	0.9
129.06885	1.1
129.10190	12.3
130.04942	0.8
131.04907	1.4
131.08543	0.8
133.06432	0.7
133.10149	0.7
135.06770	0.6
135.08040	1.5
136.07552	30.2
137.05952	7.9
137.09680	0.6
141.06604	0.8
143.08116	0.8
143.11819	0.7
145.06401	0.7
145.10107	1.1
146.05980	100.0
147.04414	2.3
147.06372	0.6
147.11674	1.1
149.09653	0.8
155.08119	0.8
156.07793	1.2
158.09517	2.5
161.09167	3.1
163.07423	0.9
165.05460	7.6
167.07014	1.0
167.08508	0.7
167.11752	0.8
169.13367	0.8
173.13144	0.7
175.07253	0.7
182.08083	7.7
187.07198	0.8
188.07089	2.2
189.08766	2.6
195.07924	0.7
197.12907	0.6
201.10249	1.0
201.12225	0.8
203.08179	0.9
219.11243	3.9
223.07402	1.5
223.10753	0.7
229.09657	2.5
236.10744	2.1
247.10725	23.8
265.08386	1.1
269.11176	1.4
270.11264	0.8
283.11835	0.6
299.16486	1.0
334.14148	0.8
345.96988	0.7
370.15823	1.0
478.28476	1.0
496.29047	0.8
497.29056	1.3
514.30145	2.4
515.21619	1.0
515.30292	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	515.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06982	0.6
81.06998	0.9
95.08530	1.4
119.08527	1.0
145.10103	1.3
147.16637	0.7
149.02301	0.6
155.50023	0.6
164.98981	0.7
168.68671	0.7
172.95270	1.0
189.16399	1.0
190.96291	1.1
202.33669	0.7
259.07858	0.9
394.29709	0.7
451.11478	0.6
475.21066	0.7
515.31787	100.0
516.31989	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	515.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66402	1.8
54.81739	2.1
55.05449	23.7
55.55294	2.0
56.96483	5.2
57.03362	3.5
57.07001	2.4
57.98334	2.2
59.55867	2.0
61.02830	2.8
63.11597	2.2
67.05077	4.6
67.05421	85.7
69.03357	2.7
69.06985	26.6
71.04841	2.8
75.10332	2.3
77.81041	2.2
79.04964	3.0
79.05400	64.8
81.06502	4.7
81.06966	100.0
82.31434	3.0
83.08511	10.8
91.05392	39.4
92.10237	4.4
93.06962	77.0
95.04875	4.3
95.08527	71.0
97.02856	2.6
99.07968	2.8
105.06979	32.3
107.08524	50.6
109.06452	2.7
109.10098	33.8
117.06973	9.3
119.08513	35.3
121.10089	39.8
123.11632	15.8
130.44054	2.5
131.08536	21.5
133.10095	21.1
134.91772	2.7
135.11655	31.0
137.13261	4.1
141.15947	2.5
145.10095	27.9
147.11702	20.7
149.01176	4.7
149.13239	17.3
156.97392	11.3
159.11674	17.7
161.13199	11.5
163.14778	10.5
172.95224	2.9
173.13193	15.5
174.98523	28.9
175.14838	5.2
177.16354	5.4
187.14758	9.5
189.16328	5.1
201.16280	12.5
203.17882	12.6
213.00157	20.6
215.17918	4.6
231.01149	3.8
243.21063	14.6
261.22058	56.3
301.20035	5.1
335.25696	4.7
341.95013	3.1
353.26755	13.8
353.96609	2.5
358.16452	3.7
381.16675	2.8
382.26913	2.7
437.19019	3.2
437.33652	8.8
455.20340	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	515.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	2.4
54.81741	1.4
55.01809	1.5
55.05453	20.3
57.03369	6.3
57.07017	2.8
64.33421	1.5
65.03873	1.8
67.05424	88.5
69.03345	1.9
69.06988	16.2
71.04913	1.9
77.20531	1.2
79.05405	62.3
81.03339	1.7
81.06970	100.0
83.08532	7.5
85.02818	2.2
91.05408	33.8
93.06966	74.8
94.07290	1.4
95.04893	7.8
95.08530	59.3
97.06434	3.4
97.10110	1.7
105.04391	1.3
105.06967	29.3
107.08529	43.8
109.06514	1.6
109.10104	38.4
111.08024	1.8
117.06955	16.4
119.08545	20.4
121.10098	34.8
123.08003	2.2
123.11620	9.8
124.03883	3.0
131.08524	24.7
133.10100	16.2
135.11638	23.5
139.94310	1.4
143.08496	2.8
145.10078	19.2
147.11649	11.2
149.13245	21.0
153.12643	1.4
157.10092	1.7
159.11630	15.9
161.13187	10.5
162.91649	1.4
163.14774	9.1
172.95107	1.7
173.13231	13.3
187.14824	8.3
191.80322	1.6
243.21011	16.6
261.22086	59.9
278.04636	1.4
335.25659	11.1
353.26813	14.2
474.20203	1.6
497.31027	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22252	1.2
53.00242	1.4
53.03875	5.2
54.13482	1.1
55.01813	1.3
55.05449	21.9
56.96492	1.6
57.03373	9.1
57.07003	3.1
57.82634	1.3
61.02828	4.9
64.99532	1.2
67.05424	96.4
69.03346	3.3
69.06985	16.1
71.04877	1.3
73.02801	2.6
79.04960	2.2
79.05407	60.7
81.03336	2.7
81.06969	100.0
83.04882	2.0
83.08523	6.6
85.02811	2.9
89.88839	1.2
91.05401	29.3
93.06360	1.6
93.06967	66.6
95.04887	9.2
95.08527	74.9
97.02808	3.2
97.06458	2.2
97.10063	1.9
98.97467	1.5
99.08014	2.7
99.88092	1.3
105.06973	25.5
107.04878	1.6
107.08533	45.5
109.06447	2.8
109.10094	32.7
116.98595	1.6
117.06950	11.3
119.08532	21.7
121.10083	32.6
123.08008	2.0
123.11654	7.8
131.08522	23.5
133.10101	11.0
135.11662	22.0
137.09521	2.3
137.13197	2.4
143.08459	1.8
145.10104	15.4
147.11734	10.5
147.12767	1.8
149.01143	4.9
149.13242	13.4
154.94089	1.7
156.03508	5.3
159.11647	11.0
161.13191	8.7
163.14792	7.0
167.02193	1.4
169.39912	1.3
172.95178	2.2
173.13226	11.3
177.16406	2.4
187.14745	7.4
228.05513	1.3
243.21042	11.0
261.22043	40.9
279.23016	2.2
335.25641	12.2
353.26709	12.2
358.16165	6.7
387.72910	1.9
474.60458	1.5
497.31009	2.9
515.25977	2.2
515.36694	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	515.3706
Annotation	Lys Val Ile Arg
Peak:m/z	Relative Intensity
63.11631	1.1
85.83810	1.1
94.14462	1.3
104.89707	1.3
105.75092	1.3
155.57220	1.3
216.41158	1.5
304.37820	1.3
333.82474	1.4
387.28726	1.7
417.29550	1.4
515.37067	100.0
516.37341	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	515.3702
Annotation	Lys Val Ile Arg
Peak:m/z	Relative Intensity
52.21654	1.6
57.07003	1.7
75.13245	1.6
80.47485	1.7
89.67573	1.9
92.10860	2.1
121.09983	2.3
125.26619	2.1
133.58633	2.0
186.86861	1.9
209.94778	1.9
225.57310	1.8
236.29552	2.2
391.28162	2.5
453.36835	2.1
515.36938	100.0
516.37170	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3699
Annotation	Lys Val Ile Arg
Peak:m/z	Relative Intensity
63.93807	3.7
79.12213	3.5
79.29683	3.5
84.02619	3.6
90.98452	3.8
170.03564	4.5
182.04366	4.2
235.31491	3.7
333.78516	4.6
515.37048	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62583	2.3
54.20290	2.2
55.05451	12.5
57.07006	5.1
59.06040	2.5
60.18888	2.6
67.05418	7.3
69.06989	22.8
69.10238	2.6
70.08076	2.6
79.05407	15.4
81.06980	40.3
83.08535	14.5
85.82906	2.7
86.09643	3.3
89.05943	7.4
91.05393	17.7
93.06969	40.1
95.08536	75.8
96.79401	2.9
97.10100	5.5
105.06962	30.3
107.08532	76.4
108.94613	3.0
109.10110	37.0
111.08023	3.4
119.08537	62.5
121.09289	5.3
121.10099	64.0
122.31953	2.8
123.07973	2.8
123.11655	12.7
131.08482	5.6
133.10107	49.6
135.11684	23.8
145.10080	39.6
147.11646	33.6
149.13245	29.2
159.11664	30.9
161.13243	23.4
163.14772	23.8
173.13261	11.7
175.14815	28.7
177.12668	4.7
177.16335	49.2
187.14822	36.6
189.16331	50.8
191.17897	11.8
201.16309	14.5
203.17929	98.4
205.15865	66.0
205.19591	4.1
207.17502	2.9
213.16260	4.5
213.32068	3.0
221.04700	3.6
221.18805	3.6
224.15718	3.5
229.19534	5.8
249.18500	12.6
320.07529	3.3
391.33215	11.4
398.77609	3.2
409.34583	100.0
437.34024	25.1
453.90851	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	515.373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	16.0
57.32235	6.1
67.05421	12.6
69.06969	29.5
78.28918	7.0
79.05399	9.0
81.06966	66.2
83.08503	10.6
91.05371	11.8
93.06964	31.0
95.08524	80.4
105.07003	52.7
107.08553	79.2
108.94585	6.5
109.10088	41.7
119.08540	100.0
121.10097	70.0
123.11647	13.5
129.47153	7.9
131.08539	9.1
133.10098	56.8
135.11641	47.1
135.18283	7.1
145.10101	45.8
147.11662	38.8
149.13187	12.7
159.11647	34.7
161.13217	29.2
172.95180	45.3
173.13150	7.4
175.14754	16.0
177.16287	11.2
187.14693	12.9
189.16309	48.0
190.96277	12.8
191.17996	10.0
201.16414	59.3
203.17897	51.5
213.16299	38.5
215.17949	55.5
221.36194	8.2
261.18344	8.7
391.33167	10.1
437.34048	69.6
475.21063	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05451	8.7
57.07010	3.6
67.05426	11.0
69.06993	14.2
79.05400	9.1
81.06975	28.4
83.08534	6.8
91.05408	10.4
93.06976	30.4
95.08533	70.3
96.79305	1.8
97.10084	6.8
105.06977	38.0
106.59938	2.0
107.08540	44.8
109.10111	43.7
117.06965	3.7
119.08543	33.3
121.10101	47.5
123.11677	13.2
131.08553	16.0
133.10091	31.2
135.11664	35.2
137.13213	2.7
143.08516	2.4
145.10098	34.3
147.11685	27.3
149.13202	15.6
150.57278	1.9
157.10077	3.0
159.11667	28.4
161.13205	20.4
163.14796	11.2
171.11749	2.1
173.13196	13.6
175.14803	24.0
176.15288	1.6
177.16377	3.4
185.13165	6.6
187.14745	22.9
189.16321	29.0
191.17923	100.0
191.19629	3.9
199.14827	7.4
201.16342	27.7
203.17955	25.9
205.15862	17.0
205.19489	7.1
213.16290	2.3
215.17938	2.1
217.15936	2.9
217.19487	7.6
219.17422	37.4
229.19559	3.6
233.15448	2.9
247.16826	13.8
409.34756	15.9
437.34131	17.1
444.38873	2.0
455.35110	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97635	0.1
54.81683	0.1
55.01814	0.2
55.05450	0.3
56.03958	0.1
57.03358	1.0
57.43040	0.1
61.02558	0.1
61.02851	1.4
69.03349	5.3
70.06508	1.5
71.04900	0.2
72.08060	0.8
73.02821	0.3
76.53020	0.1
81.03333	1.6
84.04442	0.2
84.08064	0.9
85.02826	7.6
86.09612	0.8
87.04396	1.2
91.03866	0.3
97.02811	2.7
99.04384	0.3
100.11183	0.2
102.05446	0.1
109.02808	0.9
127.03857	1.7
129.10158	0.2
133.05186	1.4
145.04927	0.8
160.03816	0.2
161.04684	16.0
162.05400	0.7
168.73143	0.2
178.04958	3.5
187.30087	0.2
189.04176	21.1
190.04602	0.2
206.04523	0.9
207.05235	11.5
208.05478	0.2
215.15848	0.2
222.07570	100.0
223.07933	1.9
227.04594	0.2
237.14247	0.6
246.14827	1.1
246.64999	0.3
276.24994	0.2
277.13834	0.2
379.18271	0.2
384.12799	19.6
385.12997	0.6
408.19229	0.2
434.11972	0.1
454.34473	0.2
491.43643	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	0.4
55.01804	0.2
55.05453	1.4
56.04964	0.8
57.03379	0.2
60.04453	0.2
61.02852	0.3
61.81397	0.1
67.05072	0.2
67.05424	5.0
69.03348	1.4
69.06981	0.3
70.06510	4.3
71.04907	0.2
72.08067	4.2
73.02814	0.2
74.05974	0.6
76.56446	0.1
79.05399	0.3
80.04950	0.3
81.03327	0.6
81.06960	0.2
81.43310	0.1
83.08531	0.5
84.04431	2.0
84.08069	3.5
85.02824	3.0
86.05980	0.2
86.09142	0.2
86.09631	3.8
87.04396	0.2
88.03911	0.2
91.05405	1.4
93.06974	0.2
94.05915	0.2
94.06501	3.8
95.04885	1.0
97.02843	1.5
100.11198	2.8
101.07114	0.1
101.11532	0.1
102.05473	0.9
103.05380	0.3
105.06966	0.2
106.06488	1.1
107.08512	0.2
110.07114	1.1
115.08630	0.2
116.07064	0.2
118.06460	1.1
119.04866	0.3
119.08488	0.2
120.06492	0.2
120.08036	1.3
122.05982	11.6
123.08006	0.1
124.07535	0.7
127.03858	0.3
129.10187	2.3
130.06488	7.9
131.04877	0.4
132.08063	0.9
132.13271	0.1
134.05984	3.3
136.07562	1.9
137.05943	2.7
138.05377	0.2
138.06303	0.8
139.03844	0.1
140.07059	1.3
143.11801	0.2
144.08072	1.0
145.04922	0.2
146.05988	5.2
148.07573	0.3
149.07115	0.3
150.05479	100.0
151.05804	2.6
152.07045	9.5
154.08568	0.3
156.08073	0.2
157.07584	0.8
158.08359	0.7
159.09161	1.4
160.07542	0.2
161.07077	0.8
163.07405	0.3
163.08635	3.9
164.06995	0.4
167.06944	0.3
168.06522	1.7
169.07594	0.4
170.05923	0.3
173.12804	0.2
175.08720	0.3
180.08031	0.2
181.09706	0.9
182.15352	0.6
187.07501	0.3
188.07037	5.5
189.09019	0.2
194.09587	0.2
203.08124	0.3
205.09709	2.6
206.08234	0.2
207.07640	1.1
210.14868	0.3
213.12350	0.2
218.09590	0.3
220.10054	0.6
221.10722	0.2
225.08664	2.6
232.09892	0.2
233.10501	0.2
235.12265	0.2
245.10818	0.2
248.09361	1.2
249.10158	3.8
250.11046	0.6
251.11714	0.3
257.10431	0.2
261.10147	0.9
262.10764	0.6
263.11740	7.0
264.12167	0.2
265.09604	0.3
265.13440	0.2
266.10675	0.2
267.11148	1.5
273.10071	0.3
275.11716	3.4
279.11237	1.1
281.12762	5.6
281.15768	0.2
282.12952	0.2
291.78497	0.2
292.14398	1.8
293.12726	2.4
303.51837	0.2
310.15436	2.4
312.10727	0.8
319.10864	0.2
336.13278	0.3
354.14420	19.9
355.14874	1.1
412.17465	0.2
436.26331	0.1
497.13312	0.2
515.37781	1.4
516.19574	0.8
516.38153	1.3
526.62347	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	3.7
55.01817	8.5
55.05453	23.4
56.04965	2.3
57.03362	3.7
60.04454	0.7
61.02850	1.2
67.05426	1.1
69.03008	0.8
69.03350	18.5
69.06989	18.9
70.06513	20.0
71.04916	1.2
71.06833	0.8
72.08074	7.7
73.02825	2.2
74.05969	1.0
76.02164	0.9
79.05399	2.2
80.58686	0.5
80.68472	0.5
81.03340	16.9
81.06995	0.6
83.08539	100.0
84.04432	7.3
84.08070	12.6
85.02828	24.0
86.09630	7.8
87.08002	2.4
88.03912	0.5
91.05401	1.1
93.06972	4.3
93.68712	0.5
95.04916	0.8
95.05996	0.5
95.08516	2.5
97.02829	26.1
97.06465	2.0
99.04379	6.0
101.02312	2.0
102.05490	0.9
103.05418	0.7
106.35989	0.5
109.02827	31.6
110.07108	4.6
111.04472	0.6
111.08031	34.5
112.08620	0.6
116.07099	0.5
120.08093	1.2
121.06443	2.1
127.03878	29.4
129.09064	8.8
129.10188	6.0
130.04968	0.9
130.10519	0.6
137.05956	0.8
139.03835	1.3
139.07513	5.8
139.08444	0.7
145.04921	5.2
151.03937	0.7
157.08588	12.8
167.07010	1.2
175.09625	84.6
176.09991	0.9
178.00244	0.5
180.08702	0.8
201.12199	0.6
219.10239	0.6
237.11096	0.9
265.10614	6.1
283.11688	37.6
284.11951	0.9
301.12778	7.1
319.13843	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	516.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28028	0.4
56.56731	0.4
56.96498	6.9
80.05517	0.7
81.43713	0.6
85.69277	0.5
90.62012	0.5
94.21042	0.6
95.08613	0.6
102.92545	2.2
118.92027	0.9
120.93650	0.6
136.93047	3.9
146.99678	0.7
154.94131	26.9
172.95195	100.0
190.96248	91.0
195.96805	5.1
198.96765	0.9
208.97328	2.2
210.96739	11.4
212.98300	0.9
213.97827	4.1
216.97823	0.6
218.93127	0.5
228.97797	37.5
230.99327	2.6
233.98425	0.9
246.98825	11.3
251.99434	2.1
319.19211	0.6
321.20917	3.1
337.20285	2.3
339.21991	19.0
357.23041	4.7
401.17435	0.9
419.18546	3.4
457.20126	6.5
475.21243	73.6
476.21155	2.3
481.35184	0.7
493.22379	2.4
498.22745	2.0
516.23651	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	516.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	30.2
55.81776	11.8
55.99750	11.9
56.96508	15.2
59.41553	10.2
66.89318	10.2
67.05408	52.7
69.06998	25.9
70.06503	23.9
72.08073	16.5
79.05390	23.4
81.06966	66.6
81.90893	11.6
84.04413	13.3
84.08046	16.4
85.02844	20.6
86.09629	13.9
91.05399	24.6
93.06956	76.8
95.04928	21.3
95.08544	100.0
98.01752	11.6
104.42672	12.6
105.06953	74.0
107.08537	87.8
109.10106	25.2
111.07994	13.4
119.08534	99.2
121.10091	99.8
121.15203	13.3
130.10429	15.1
133.10098	69.2
145.10088	81.9
147.11671	54.7
155.08542	14.6
157.10118	24.0
159.11711	91.1
161.13228	66.0
171.11621	22.1
173.13229	23.8
187.14786	15.0
189.16353	16.6
199.14799	51.5
201.16373	21.7
215.17909	15.2
227.17830	17.3
256.96417	17.8
261.18414	18.7
271.20541	21.6
273.22064	23.3
289.21530	56.0
301.21432	89.8
314.80325	13.6
319.22726	55.5
352.24899	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	516.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24498	0.6
53.55987	0.6
55.01802	1.4
55.05449	6.5
57.03370	6.6
57.07010	20.4
58.76206	0.5
61.02859	1.0
67.05427	5.4
69.03342	9.5
69.06980	11.1
69.92908	0.6
71.01257	0.9
71.04891	5.2
73.02809	4.8
75.04424	0.7
79.05400	11.3
81.03326	1.1
81.06971	12.4
83.04890	4.3
83.08529	3.4
85.02814	7.1
85.06464	17.9
87.04461	0.7
87.08054	1.2
91.05404	35.7
92.10846	1.4
93.06969	6.5
95.04918	1.3
95.08531	4.6
97.06445	2.8
99.04375	0.9
99.08022	0.9
104.06174	3.1
105.06971	7.3
107.08505	5.2
109.06470	5.4
109.10109	0.6
111.04391	0.9
111.08017	12.9
115.03970	1.1
117.06928	1.2
119.08559	1.0
121.10111	0.9
123.07987	1.1
125.09568	3.5
127.07500	14.2
129.06911	0.7
129.09030	2.8
133.10089	100.0
134.10439	1.1
135.07986	1.0
141.09070	1.1
147.08032	4.5
147.11613	1.2
149.08408	1.3
149.09596	37.4
153.09097	8.9
153.77652	0.7
168.77209	0.7
171.10135	13.8
171.26147	0.7
175.14626	0.7
177.16425	0.7
189.11163	13.9
189.16383	1.3
203.17958	2.5
212.33453	0.6
290.62943	0.7
337.20007	3.2
355.74677	0.7
440.32532	0.8
467.12363	0.7
485.28741	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	517.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	2.3
56.04970	1.8
56.96513	1.6
57.03355	1.1
61.02850	1.7
61.12732	0.9
67.05416	4.9
69.03351	3.9
69.06982	6.2
70.06502	18.5
70.07322	1.4
71.04893	1.4
72.08065	8.0
79.05399	1.4
81.03304	1.1
81.06983	7.7
83.06029	1.0
83.08540	1.5
84.04424	5.6
84.08063	16.6
85.02824	6.0
85.06488	0.8
85.08447	0.8
86.09614	27.6
88.03862	1.4
91.05399	5.9
92.65360	1.0
93.06956	7.2
95.04910	1.9
95.08535	6.3
95.69567	0.9
97.02824	1.1
102.05492	2.0
103.05383	5.1
105.06963	5.2
107.08530	5.6
109.06492	1.2
109.10112	5.3
110.07098	4.8
115.08672	1.4
117.06947	1.5
119.08548	5.4
120.08060	21.3
120.08875	1.2
121.06429	1.0
121.10098	4.1
123.08039	1.4
129.10168	8.7
131.08531	4.7
132.08949	1.0
133.10089	5.8
135.08008	1.8
137.05986	1.0
137.09612	4.1
138.09950	1.2
143.08517	2.3
143.11783	4.5
145.10139	4.8
147.11661	4.2
148.22433	1.1
149.09595	1.6
157.10141	3.9
159.11659	4.8
165.09116	1.7
165.12758	1.2
168.97194	1.0
169.09962	1.7
171.11566	1.6
173.13255	2.0
183.11476	1.1
185.13281	1.9
187.14824	1.6
189.05196	20.6
197.13144	1.2
200.92049	1.1
201.12476	1.3
202.05936	1.7
211.14693	1.6
216.07524	6.7
223.16859	9.3
226.16916	1.4
232.07013	11.7
233.07866	5.8
235.10912	1.6
245.07695	9.1
255.20908	1.2
277.10379	15.2
283.20355	7.6
284.20749	3.5
287.16571	1.0
291.08749	1.3
291.11969	38.1
291.15134	1.9
301.21637	10.5
302.22034	4.0
319.22507	5.7
320.22980	1.6
337.23584	13.2
338.24066	6.6
427.13483	1.7
442.15948	5.5
481.83740	1.0
517.20264	100.0
518.20654	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	2.6
56.04971	2.8
56.96503	0.7
60.04446	1.4
66.64342	0.7
67.05414	1.3
69.03338	1.4
69.06990	2.7
70.06509	20.5
71.04895	1.1
71.06815	1.0
72.08068	9.7
74.05959	0.6
77.00793	0.9
79.05401	1.4
81.06960	2.7
82.18369	0.7
84.04430	6.0
84.08066	13.1
85.02837	4.4
86.09626	16.5
86.97157	0.7
87.09928	0.7
88.03899	1.0
91.05410	3.3
91.53461	0.6
93.06951	1.4
95.04870	0.7
97.02811	1.2
99.04339	0.7
101.06997	0.8
102.22657	0.7
105.06971	3.7
107.08543	2.8
109.06463	0.6
109.10085	0.8
110.07148	6.0
116.98583	1.1
118.93948	0.8
119.01886	5.5
119.08555	1.7
120.08053	6.5
121.10085	0.9
125.09598	0.8
129.10175	6.8
130.06453	1.0
131.01831	0.8
131.08575	1.0
136.07558	2.8
137.02939	1.1
137.05989	3.7
145.03484	1.0
147.07603	0.8
148.36758	0.8
159.09207	0.8
161.02916	1.0
161.05916	0.8
165.09123	2.7
169.33937	0.7
171.11606	0.8
173.02916	1.2
173.12962	0.9
185.02916	2.7
203.04016	5.1
241.12854	4.0
259.13943	3.1
275.07382	1.2
275.32791	0.7
283.13882	2.6
317.08505	1.1
335.09363	3.1
341.19067	1.0
357.49991	0.8
385.18036	5.4
473.23431	9.7
517.22430	100.0
518.22742	4.9
525.64874	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00251	1.0
53.03885	0.9
55.01807	1.8
55.05451	26.9
57.03370	7.9
57.07010	11.4
59.03339	0.6
61.02847	3.8
62.50082	0.7
65.03841	1.0
67.05426	95.1
69.03338	3.2
69.06986	29.8
71.04913	1.7
71.08534	4.4
73.02816	1.6
79.04957	1.3
79.05405	28.8
81.03331	1.5
81.06973	100.0
82.61967	0.8
83.04890	1.1
83.08537	20.7
85.02824	4.8
85.06493	2.8
85.10107	1.5
91.03899	0.7
91.05396	21.3
93.06973	31.3
95.04896	3.7
95.08530	79.9
97.02817	1.9
97.06477	7.3
97.10113	11.7
99.04386	0.9
99.08042	1.0
105.06965	14.2
107.04910	1.1
107.08538	17.6
109.06448	1.5
109.10106	36.2
109.10863	1.5
111.08012	3.2
111.11643	2.9
113.09651	1.0
117.06949	1.2
119.08527	16.2
121.10101	21.6
123.08051	1.4
123.11662	15.6
123.77323	0.8
125.09557	1.4
127.11143	1.0
131.08517	1.7
133.10091	13.6
135.11661	9.7
137.09596	1.3
137.13210	5.3
139.33789	0.8
145.10056	1.0
147.11676	8.4
149.13239	7.1
151.11171	1.2
151.14798	3.2
155.14282	3.4
157.04001	0.9
161.13181	9.5
163.14780	5.1
165.16357	3.3
175.14806	7.7
177.16281	1.8
179.14316	0.9
179.17886	1.5
181.15823	1.0
189.16318	4.5
217.19360	1.3
245.22585	28.4
251.36688	1.0
263.23648	34.8
264.23987	0.8
337.27316	32.5
337.31418	1.0
355.28256	0.9
357.90100	0.9
359.17117	3.8
359.66669	0.9
499.32452	5.0
532.13080	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	1.4
55.01797	0.8
55.05450	23.4
55.08601	0.8
56.10571	0.7
56.73809	0.8
57.03358	5.2
57.07002	9.1
61.02836	3.7
61.49320	0.8
61.59461	0.7
65.03861	1.1
67.05426	93.1
67.59655	0.7
69.03342	3.4
69.06985	28.3
71.04910	1.3
71.08524	4.9
79.04960	1.2
79.05408	25.0
81.06973	100.0
82.07317	1.3
83.04859	3.2
83.08534	15.0
85.02827	2.0
85.06444	1.0
85.10088	1.9
86.05521	0.9
91.05405	20.8
93.06964	30.4
94.79581	1.0
95.04896	1.9
95.08530	85.7
96.08825	0.9
97.02799	1.5
97.06467	6.4
97.10100	9.9
99.08006	1.8
105.06977	13.3
107.08537	16.5
109.09404	1.8
109.10103	35.2
109.57073	0.8
111.08029	1.8
111.11678	1.1
117.06918	1.4
119.08543	14.0
121.10100	17.6
123.08054	1.6
123.11658	12.5
125.09555	1.3
133.10075	14.3
135.11647	10.9
137.13220	5.3
145.10161	1.0
147.11670	8.2
149.13240	4.9
151.14767	3.3
159.11517	0.9
161.13193	8.9
163.14769	5.1
165.16307	3.9
174.98462	1.1
175.14711	8.1
177.16216	1.1
179.47174	0.9
189.16330	3.2
213.00078	1.1
245.20297	1.4
245.22603	27.9
263.23636	32.3
337.27325	15.8
353.25339	0.9
481.32190	0.9
493.97421	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31765	0.9
53.03872	1.8
55.05224	1.4
55.05455	25.2
57.03364	5.2
57.07007	10.3
57.20950	1.0
61.02856	1.7
63.16166	1.1
66.44541	1.0
67.05427	92.7
67.57597	1.0
68.65558	1.0
69.03344	2.2
69.06986	26.1
71.04877	1.4
71.08546	2.7
72.99583	1.1
73.02827	1.5
79.05407	31.0
81.03320	1.3
81.06973	100.0
82.07307	1.1
83.04890	1.8
83.08536	16.5
85.02843	1.6
85.51924	1.1
91.05412	19.2
92.10262	6.4
93.06975	25.4
95.04885	1.9
95.08537	81.7
96.08838	1.2
97.02785	1.5
97.06448	7.7
97.10095	8.3
99.08025	2.1
105.06985	13.9
107.08532	17.8
109.06431	1.7
109.10112	37.4
111.08031	2.9
113.09566	1.3
117.90929	1.1
119.08531	16.4
121.10114	21.1
123.11641	6.6
131.08572	1.8
133.10120	14.3
135.11658	7.5
137.13225	5.0
147.11591	8.5
149.13200	7.1
161.13237	9.1
163.14778	7.2
165.16353	2.3
172.95219	6.5
175.14763	6.7
176.78088	1.3
179.17918	1.4
189.16324	2.2
190.96201	5.3
245.22607	21.7
263.23639	30.0
313.33621	1.5
337.27341	20.9
475.20898	1.9
476.21277	2.0
499.32831	1.7
524.70135	1.2
534.28967	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00231	0.9
55.01789	1.1
55.05446	29.2
57.03368	7.6
57.06778	0.7
57.07005	12.5
59.58218	0.8
61.02840	4.1
62.39602	0.8
64.33244	1.1
65.03834	2.1
66.22218	0.8
67.05423	86.8
69.03328	1.6
69.06979	33.5
71.04895	1.3
71.08532	4.3
74.37216	1.0
79.05396	24.4
81.03320	1.3
81.06969	100.0
83.04877	2.2
83.08529	18.4
85.02814	2.3
85.06453	1.6
85.10073	1.5
85.13198	0.9
91.03832	1.2
91.05393	20.2
93.06967	32.6
94.25363	1.0
95.04900	2.0
95.08526	79.7
97.02798	1.7
97.06442	4.4
97.10091	10.1
99.08032	1.3
104.10653	1.6
105.06963	12.5
107.08536	17.7
107.09213	1.6
109.10091	32.7
111.08015	2.2
111.11610	1.6
117.06929	1.3
119.08535	12.8
121.10076	16.4
123.11636	15.7
125.09536	1.4
133.10085	14.7
135.11623	7.3
137.13211	5.0
139.11096	1.3
141.12704	1.2
145.10103	1.3
147.11674	10.0
149.13213	7.2
151.14781	2.3
154.94104	5.3
155.14207	1.1
159.11790	1.3
161.13213	9.9
163.14742	6.5
165.16289	2.0
172.95181	21.0
175.14767	5.7
179.17934	1.3
185.68939	0.9
189.16325	4.0
190.96255	16.2
228.97778	6.0
245.22545	25.7
263.23624	33.4
337.27280	26.5
339.21661	1.6
340.21960	1.9
355.28339	2.0
458.20108	1.5
475.21155	2.4
476.21527	9.1
499.32535	1.6
541.91998	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.53612	1.6
62.69817	1.6
64.12656	2.0
67.05396	2.9
69.06983	1.9
71.60242	1.8
75.73158	1.7
80.08272	1.5
81.06987	7.2
95.08527	4.0
121.10071	1.8
138.18085	2.0
158.37560	1.7
181.08333	7.3
181.31033	2.2
340.74509	1.8
417.46725	1.9
486.67722	2.0
517.34839	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03867	16.0
53.73660	2.8
55.05436	16.3
57.03369	3.2
57.06743	3.2
57.07009	90.2
58.94402	2.9
60.37042	2.9
60.89420	3.5
67.05424	29.5
69.03344	70.9
69.06974	18.3
70.87817	3.1
71.04900	7.0
71.08545	69.5
81.03331	100.0
81.06969	43.3
83.08536	26.6
85.02835	43.2
85.10107	35.5
95.08522	42.2
97.02811	73.8
97.10077	6.1
99.04375	15.9
109.02833	44.3
109.10081	24.0
123.11636	4.0
124.15667	3.1
127.03870	35.8
137.13245	5.0
145.04918	8.7
151.32835	3.7
183.24680	3.9
208.38846	3.6
239.23650	36.8
242.31119	3.7
269.14938	4.0
300.61700	3.7
321.08759	3.6
383.27798	90.3
401.28690	19.1
462.15836	4.1
504.09497	4.2
517.36707	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	518.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	9.5
55.05433	2.4
57.03358	3.3
61.02856	2.2
67.05412	4.3
69.03348	27.1
69.06989	3.2
70.06517	15.8
71.04900	8.3
72.08099	2.1
73.02821	4.1
79.05396	4.6
81.03345	22.3
81.06953	13.9
84.08070	8.7
85.02822	91.5
86.09628	15.5
87.04384	3.4
89.05952	2.2
91.05386	3.3
92.10337	2.2
93.06962	13.2
95.04884	2.7
95.08502	3.5
97.02826	45.4
99.04384	76.9
103.03877	100.0
105.06994	15.2
107.04912	22.7
107.08518	11.5
109.02825	27.9
109.06423	3.5
109.10072	3.0
110.07095	3.1
115.03825	2.5
119.08537	13.0
121.10101	5.2
127.03873	94.1
131.08540	9.2
133.10083	4.2
135.08023	8.5
135.11717	2.4
137.05927	2.2
137.09503	3.2
145.04948	32.2
145.10081	11.2
147.07982	2.7
147.11671	3.6
157.10078	3.8
159.08034	2.6
159.11678	3.8
163.06004	18.7
163.07504	15.0
165.09062	2.7
167.06956	2.3
171.11711	3.1
173.13239	5.0
187.07541	2.5
187.14746	2.7
195.10120	19.4
205.08531	5.2
207.10170	4.3
231.15358	2.0
253.64330	2.2
271.05875	8.7
301.21716	2.4
342.68518	2.7
368.75150	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	518.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52974	1.0
53.03893	9.2
53.37744	0.9
54.03027	1.0
55.01807	1.2
55.05455	9.3
56.66697	1.0
56.96488	1.6
57.03370	2.9
61.02842	6.7
64.33883	1.2
66.96539	1.1
67.05436	5.0
69.03343	21.4
69.06966	1.8
70.06509	10.3
71.04904	8.3
72.08056	4.7
73.02814	8.6
74.44169	1.1
79.05394	2.6
81.03334	32.2
81.06966	8.0
81.07408	1.1
83.04910	2.5
84.04456	2.0
84.08074	2.5
85.02827	81.8
86.09632	8.9
87.09940	1.3
91.05396	3.0
93.06964	3.2
95.04896	1.6
95.08505	2.0
97.02824	53.5
98.09617	1.5
98.97499	1.4
99.04382	66.1
100.11182	8.7
103.03873	94.6
103.05375	1.8
105.06967	7.3
107.04845	2.4
107.08534	5.9
108.04430	1.9
109.02135	2.5
109.02828	32.3
109.10091	1.5
112.36430	1.2
114.09099	1.4
119.08543	2.5
120.08076	1.4
121.10101	2.5
127.03873	100.0
133.10115	3.1
136.07552	1.3
137.05908	2.0
137.62814	1.2
145.04926	33.9
145.05980	2.3
145.10118	2.5
147.11700	2.2
154.06224	8.2
157.10059	1.8
159.09201	1.5
159.11610	2.1
163.05988	24.7
163.07477	5.6
165.08974	1.7
167.07132	1.3
173.13286	1.7
182.15379	2.0
183.11566	1.5
187.06015	3.0
195.10117	8.5
209.16379	2.3
271.05771	2.2
271.08282	4.4
285.22272	1.3
286.40112	1.4
289.09033	1.7
303.22928	1.4
307.10211	5.6
311.77722	1.3
517.23883	1.9
518.24188	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	518.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91798	0.4
51.64861	0.4
52.76117	0.4
58.06514	0.4
58.95857	0.4
60.08091	8.9
67.05408	0.6
71.07278	3.8
71.53739	0.4
73.11595	0.4
79.05380	0.6
79.10832	0.4
86.09622	48.7
92.10880	1.2
93.06957	0.5
98.98374	4.7
104.10663	4.9
124.99953	38.1
137.87718	0.5
162.47243	0.5
172.30760	0.5
179.46254	0.4
184.07289	100.0
223.99747	0.5
257.82840	0.5
312.64645	0.6
354.51791	0.5
467.75647	0.5
518.32123	2.1
520.94794	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96456	0.8
55.05424	1.4
56.04963	1.2
58.06532	1.1
60.08092	23.8
64.33560	1.0
65.97707	1.0
67.05419	5.4
69.06984	1.1
71.07284	10.5
74.36881	0.9
76.56509	1.3
78.36929	1.0
79.05404	5.3
81.06971	2.5
86.09623	73.7
91.05389	1.2
93.06968	2.6
95.08522	4.5
98.98384	5.6
104.07108	1.2
104.10674	97.3
107.08551	1.4
108.82008	1.0
110.72435	1.1
119.08469	1.2
124.99954	48.3
126.41451	1.0
176.55939	1.1
184.07292	100.0
232.38556	1.2
258.10913	1.5
271.06046	1.7
303.05582	1.3
409.06900	1.1
457.02777	1.2
500.31348	8.0
505.15747	1.3
518.32208	31.6
519.32574	1.5
526.74939	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	3.1
55.05444	37.2
56.04979	4.4
57.03360	5.3
57.07004	3.3
61.02839	3.9
67.05434	31.2
69.03343	18.5
69.06985	20.2
70.06510	53.5
71.04911	8.3
71.06815	2.7
72.08059	27.4
74.05991	2.4
79.05396	32.8
81.03349	4.5
81.06976	77.0
82.89815	2.0
83.04893	5.4
83.08541	5.1
84.04427	20.6
84.08066	36.1
85.02824	50.4
85.06483	3.4
86.09621	43.7
91.05410	46.3
93.06970	70.7
95.04911	4.6
95.08530	72.5
97.02818	11.8
97.06463	4.3
99.04348	4.0
101.10683	2.2
102.05486	4.9
103.05378	4.0
103.53262	2.3
105.06974	95.2
107.08532	59.8
109.02811	2.9
109.06483	9.7
109.10104	46.1
110.07102	14.4
111.08031	59.7
117.06969	21.3
119.08533	83.2
120.08069	15.7
121.06453	3.1
121.10100	50.9
123.08025	2.7
123.11684	17.4
124.80080	2.0
127.03873	2.7
128.06157	4.5
129.06973	17.0
129.10196	13.7
131.04948	2.5
131.08530	55.0
133.10094	72.4
135.08008	2.8
135.11652	22.9
137.05949	9.4
137.09612	3.8
138.09959	2.3
139.11267	2.9
140.24998	1.9
141.06900	2.5
142.07773	4.5
143.08519	38.3
144.09325	3.4
145.04947	3.0
145.10097	98.1
147.11665	71.4
148.12047	3.0
149.09645	4.8
149.13232	14.9
151.11143	5.0
153.01765	4.0
155.08536	16.2
156.09285	3.3
157.10094	39.9
158.10863	2.5
159.09215	2.5
159.11664	44.8
161.13200	20.5
163.11185	4.2
163.14792	4.6
169.10103	14.6
170.10764	2.8
171.11646	42.8
172.12381	10.4
173.13211	35.3
175.14777	72.9
177.12711	5.3
177.16304	3.8
182.10933	2.6
183.11584	23.4
185.13197	35.7
187.14749	46.5
189.12741	3.9
189.16156	3.2
191.14302	10.1
197.13228	20.6
199.14787	23.5
201.16411	15.5
205.15828	49.1
211.14844	16.8
213.16393	9.5
223.16853	8.9
225.16324	13.6
227.17931	54.8
228.18259	2.8
229.15796	2.7
239.17859	5.5
241.19193	3.0
245.18927	23.4
255.20961	9.8
257.22617	4.3
267.20987	38.7
271.05954	31.0
273.22156	8.9
285.22058	100.0
303.19852	4.2
303.23096	50.8
321.24142	11.6
331.40250	2.6
519.25409	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	519.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03866	1.0
55.05452	5.0
56.04967	5.2
56.96505	1.4
57.03364	1.2
60.04452	5.3
60.05568	2.3
67.05418	4.3
69.03338	5.4
69.06995	2.2
70.06503	65.9
71.04906	1.7
71.06857	1.3
72.08065	27.3
74.05978	1.5
78.42906	1.0
79.05408	1.7
81.03321	2.5
81.06969	5.3
83.04903	1.4
84.04423	24.4
84.08061	47.7
85.02819	16.2
85.08381	2.6
86.09621	38.2
87.05515	1.5
87.09961	1.9
88.03909	2.3
88.07501	1.1
91.05404	2.2
95.04881	1.4
95.08519	7.9
97.02835	5.6
99.04372	9.3
101.99812	1.2
102.05458	9.6
103.03872	15.0
103.05383	1.6
105.06998	1.8
107.04897	8.7
107.08573	1.2
109.02845	2.3
109.10090	1.5
109.53378	1.1
110.07128	11.1
111.08035	2.6
112.08705	4.7
114.45364	1.2
115.08626	2.5
116.07047	6.8
116.98546	1.3
119.08509	1.8
120.08076	6.2
121.10090	1.7
123.08026	1.7
126.05466	1.5
127.03863	9.8
129.10179	27.9
130.04942	2.1
130.06511	4.5
130.10576	2.1
131.04861	1.7
132.08054	4.5
134.99623	1.9
135.08015	2.0
136.07539	2.4
137.05968	2.2
141.06602	1.2
141.10161	1.5
141.41673	1.0
142.06502	1.2
143.08354	1.1
143.11737	1.8
144.08101	5.1
145.04950	2.7
145.06429	1.3
145.07573	2.0
148.06120	1.3
153.10251	1.3
155.08151	4.6
157.85686	1.1
158.09233	4.0
159.09109	9.1
163.06158	1.6
163.07486	3.6
165.09001	0.9
165.12828	1.1
167.06963	14.2
167.11658	1.0
170.05922	2.3
183.11357	1.7
187.08656	2.0
195.10135	4.5
207.13869	1.3
213.09317	1.2
213.11113	8.7
224.05742	1.1
227.34103	1.2
254.35912	1.4
269.16415	1.2
271.06024	1.9
272.17545	1.9
299.51730	1.2
307.10553	1.3
357.24805	4.9
421.12985	1.4
429.11652	1.5
444.13901	5.9
499.57532	1.3
519.18256	100.0
519.30267	13.4
520.18707	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	519.2563
Annotation	Asp Thr Gln Arg
Peak:m/z	Relative Intensity
52.04566	0.5
55.05444	2.4
55.31850	0.6
56.04954	1.0
58.55186	0.5
62.30217	0.5
64.55537	0.5
67.05428	2.5
67.87926	0.8
69.03339	1.2
69.06983	1.1
70.06498	6.3
71.04908	1.2
71.31590	0.5
72.08069	3.3
72.31051	0.5
79.05375	1.3
81.06984	4.6
81.07399	0.6
84.04438	2.8
84.08054	5.8
85.02813	1.5
86.09626	8.5
86.54567	0.6
88.03902	0.8
91.05411	3.8
93.06964	4.0
95.04918	1.3
95.08530	3.6
97.06441	0.8
99.15591	0.6
102.05460	0.7
103.05479	0.6
105.06972	6.6
107.08531	4.4
109.06477	0.9
109.10100	3.6
110.07097	1.1
119.04903	1.3
119.08550	2.2
120.07318	0.7
120.07993	4.0
121.06464	0.8
121.10095	2.3
123.08012	0.7
123.11678	1.0
125.09564	0.7
127.84508	0.7
128.06221	0.6
129.10202	3.0
131.04839	0.8
131.08545	1.1
133.10104	3.9
133.88092	0.6
135.08107	0.8
136.07574	0.8
137.05959	6.1
143.08501	0.6
145.10161	2.5
147.04372	0.7
147.11668	2.7
157.10121	0.6
163.44243	0.8
171.11472	0.8
172.05167	0.8
173.12936	1.0
187.07541	1.1
199.14810	0.7
201.16417	0.8
270.31070	0.6
271.06042	1.3
273.64709	0.7
303.22888	2.0
519.25586	100.0
520.25806	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	519.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00234	1.0
53.01881	1.0
55.05439	4.6
64.71259	0.9
69.03347	2.5
69.06985	4.8
70.06506	10.7
71.04910	2.6
72.08075	4.3
79.05392	1.4
80.81453	1.1
81.06968	4.9
83.04901	1.4
83.08553	1.4
84.08078	9.5
85.02824	4.8
85.06438	1.2
86.09631	11.2
91.05402	4.9
93.06967	5.1
95.04901	1.2
95.08555	2.1
97.02847	1.6
97.06459	1.4
100.11160	8.3
105.06974	9.7
107.08538	4.9
109.10140	1.3
115.03866	1.6
117.06968	1.2
119.08536	6.8
120.08058	6.0
123.11673	1.6
129.10213	2.4
131.04919	2.0
131.08534	2.7
133.10103	2.6
135.11649	1.8
137.05956	5.8
145.10085	2.4
147.11739	1.8
151.03835	1.1
152.43814	1.0
161.13217	2.8
161.97919	1.3
182.15343	1.2
188.95992	1.2
191.14273	2.4
211.07524	1.1
271.05881	4.7
278.83429	1.1
369.13028	1.8
390.99939	1.1
519.25549	100.0
520.25964	6.7
539.10760	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3315
Annotation	Saponaceolide A
Peak:m/z	Relative Intensity
55.05443	9.0
57.77945	5.8
67.05414	13.6
69.03359	6.2
69.06973	22.5
70.06514	13.7
72.08070	8.3
79.05395	8.0
81.06984	45.8
83.08532	6.1
86.09620	11.2
89.05927	5.5
90.21667	5.0
91.05416	13.3
93.06973	52.5
95.04900	7.5
95.08524	50.0
97.06454	8.1
105.06985	78.7
107.08552	50.5
109.10087	25.4
109.94251	5.3
110.07122	6.5
119.08547	81.2
120.08067	6.9
121.10101	36.5
123.08001	6.2
123.11648	9.5
131.08511	43.5
131.10164	5.7
133.10059	45.4
135.11703	22.9
137.05957	6.7
143.08513	21.7
145.10081	69.3
147.11664	36.0
149.09471	6.4
149.13284	11.9
157.10094	12.5
158.10815	10.3
159.11617	57.5
161.13243	14.4
168.97798	5.6
171.11658	26.5
173.13203	75.1
175.14777	23.9
175.47543	6.4
177.16290	13.9
183.11835	7.2
185.13243	31.7
187.14790	59.4
189.16328	9.8
199.14807	14.5
201.16362	11.5
205.15906	45.6
217.15645	6.3
219.13823	11.1
223.14822	6.2
233.15363	11.6
267.64038	6.4
271.05981	100.0
272.06296	7.7
325.23172	6.4
391.29947	12.4
465.29993	13.4
483.30963	13.3
518.37183	50.9
519.37878	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	519.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56081	5.1
54.81835	5.9
55.05436	29.0
56.04973	9.0
57.51184	4.1
59.31265	4.5
67.05415	31.0
69.03350	9.0
69.06981	29.6
70.06507	72.3
71.04900	6.2
72.08060	61.7
76.56511	5.5
79.05403	21.9
81.06956	58.3
83.04884	6.6
83.08549	6.8
83.40517	4.9
84.04430	37.4
84.08044	48.8
85.06411	5.2
86.09621	78.8
91.05393	37.8
93.06973	53.0
95.04885	9.3
95.08530	66.7
97.06477	9.2
97.10116	7.2
103.03921	7.6
103.05386	8.1
105.06965	97.7
107.08537	70.8
109.06474	9.0
109.10104	38.8
110.07117	7.6
111.08009	6.3
113.07110	5.3
115.05425	7.1
116.01714	5.1
117.06966	6.2
119.08541	82.0
120.08074	27.8
121.06449	6.4
121.10112	47.7
123.11645	22.2
125.09533	8.9
129.10181	25.7
130.55402	5.1
131.08548	45.5
133.10080	60.1
135.08070	8.6
135.11629	10.6
137.05931	30.3
143.08455	9.3
145.10103	80.4
147.11659	40.0
149.09572	6.1
149.13214	12.2
157.10074	25.0
159.11646	68.8
161.05844	6.5
161.13191	37.1
169.10074	8.3
169.96973	5.6
171.11610	37.4
173.13216	100.0
175.14844	35.7
177.16356	22.6
183.11597	7.0
185.13211	50.7
187.14778	73.0
189.16310	11.3
197.13177	10.1
199.14760	26.6
201.16306	22.4
205.15860	60.9
210.20251	5.2
217.15836	9.2
219.13727	21.5
231.13828	10.1
233.15323	22.4
271.05981	32.5
377.37827	6.9
391.29666	12.9
419.29260	11.0
437.30341	37.9
465.29959	18.3
483.30762	20.5
518.83447	7.8
519.25555	81.1
519.32764	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	519.332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01782	3.7
55.05440	16.1
57.03376	3.2
59.14708	2.3
60.04456	3.8
60.45633	2.8
67.05413	16.0
69.03350	8.1
69.06967	13.4
70.06520	30.4
71.04913	4.1
72.08047	14.2
72.58414	2.7
73.95146	2.9
77.93300	3.1
79.05390	16.5
81.06977	32.8
83.04875	6.5
83.08514	4.3
84.04434	6.3
84.08063	32.9
85.02804	15.3
86.09596	18.9
91.05401	29.8
93.06967	35.3
93.26123	3.1
95.04873	11.9
95.08537	35.9
96.08059	3.5
97.06489	4.3
98.97449	4.2
102.76888	3.1
103.05352	4.3
105.06963	49.1
107.08532	38.7
109.02869	3.6
109.10088	20.9
110.07103	6.1
115.08600	3.9
117.06894	5.5
117.59876	3.4
119.08546	39.3
120.08038	17.2
121.06441	4.2
121.10063	31.8
123.07960	4.9
123.11665	4.0
125.06051	3.4
125.09612	3.4
129.10147	5.1
131.04872	5.8
131.08531	33.4
133.10069	31.7
135.07997	5.1
135.11652	12.5
137.05948	15.1
142.07745	3.6
143.08540	12.9
145.10081	40.6
147.11644	19.3
149.13246	6.3
150.84451	3.4
157.10120	16.0
159.11636	30.6
161.09598	3.7
161.13234	16.6
163.11072	5.5
163.14749	4.9
165.09119	7.1
171.11638	11.7
173.09358	3.4
173.13242	25.0
175.11115	6.0
175.14767	17.1
178.19667	3.8
184.92812	3.4
185.13181	22.6
187.14793	14.8
189.16280	5.0
191.14301	3.8
197.13261	5.2
199.14754	5.5
203.14297	12.6
205.15823	15.4
211.14606	3.5
215.14297	5.8
217.15915	3.6
231.13791	5.3
271.05933	18.0
419.29413	6.2
437.30069	7.0
455.31479	5.2
462.22137	3.7
465.29565	4.7
473.31857	4.2
483.30084	4.1
487.31924	4.6
519.25208	39.9
519.32990	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13898	1.2
53.00227	1.2
53.03862	1.1
55.05191	2.7
55.05448	73.2
57.03364	15.6
57.07004	32.0
61.02840	6.9
67.05424	72.8
67.32858	1.2
69.03342	1.8
69.06984	100.0
71.04896	6.3
71.08545	18.4
73.02805	1.8
75.04385	2.4
79.05402	37.8
81.06967	80.6
83.04897	3.3
83.08534	66.4
85.02803	5.5
85.06458	2.3
85.10093	7.3
89.89793	1.4
91.03852	2.7
91.05376	2.6
93.06968	55.7
95.08529	86.6
97.02818	2.0
97.06451	14.3
97.10092	41.3
99.08026	2.0
102.36606	1.6
107.07866	2.0
107.08533	32.8
109.10098	35.1
111.08031	9.0
111.11681	10.8
117.59302	1.5
121.10091	57.5
123.11645	12.4
125.09642	2.1
129.57208	1.7
135.11642	41.0
137.13167	2.5
139.11119	2.3
139.42337	1.4
149.13213	16.5
151.14813	1.7
153.12691	1.8
163.14774	6.8
165.16373	5.9
165.74757	1.4
177.16373	2.2
191.17999	2.2
247.24147	33.0
265.25177	60.3
283.26260	8.2
339.28894	77.8
340.29111	2.6
357.29962	6.9
402.30377	1.3
501.33585	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	519.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19099	1.5
53.00238	2.0
55.05186	2.4
55.05451	68.8
56.41187	1.5
57.03379	13.0
57.06778	1.9
57.07016	34.4
59.69756	1.5
61.02857	4.6
67.05079	2.2
67.05430	74.3
69.06986	100.0
71.04904	4.1
71.08549	14.6
73.02823	1.6
75.04375	2.0
76.56782	2.1
79.05416	35.3
81.06973	86.3
81.07449	3.7
83.08541	66.5
85.02815	4.0
85.06480	2.5
85.10101	9.2
86.47359	1.7
91.05399	2.5
93.06975	51.5
95.04893	2.1
95.08533	85.4
97.06477	15.4
97.10098	42.6
99.08006	2.0
105.06950	2.7
107.08537	34.3
109.10119	35.1
111.08042	10.2
111.11662	12.4
118.18772	1.9
121.10087	65.3
123.11636	12.8
125.09608	2.9
125.13192	2.8
135.11655	46.2
137.13280	2.3
139.11179	3.3
148.05341	1.8
149.13205	16.4
149.19615	1.7
151.14761	7.5
163.14748	8.1
165.16478	2.7
177.16408	2.7
186.38255	2.0
213.00040	3.5
247.24185	33.2
265.25189	80.8
265.65875	2.1
283.26236	4.1
339.28900	83.1
340.28958	2.8
357.29810	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	519.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53160	4.9
53.27031	4.9
53.54622	4.2
55.05449	85.5
57.03362	11.1
57.07005	34.2
62.20387	4.8
67.05424	96.3
69.03318	4.8
69.06982	100.0
71.08546	11.8
72.50434	4.8
75.04369	5.9
76.56100	5.5
79.05424	43.7
81.06972	95.0
83.08523	74.9
91.05429	8.9
93.06966	56.9
95.08525	77.9
97.06462	8.0
97.10104	50.2
99.08067	5.6
103.68568	5.2
107.08521	42.3
108.71190	5.5
109.10101	48.7
111.11680	7.8
113.04070	5.3
121.10082	69.9
132.24927	5.1
135.11656	53.9
149.13225	20.8
185.19620	5.6
247.24167	34.5
265.25153	64.2
271.05936	57.1
339.28912	78.1
423.92426	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	519.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	1.9
55.05454	75.5
55.72779	1.0
57.03380	11.8
57.07012	31.4
60.05578	3.2
61.02843	6.6
65.19509	1.1
67.05431	80.3
69.06990	100.0
71.04915	5.4
71.08548	13.0
72.66844	1.2
73.02840	1.4
75.04379	1.4
78.28038	1.3
79.05411	43.1
81.06979	88.3
83.08544	64.4
85.02834	6.6
85.06461	2.9
85.10093	6.9
91.03906	1.3
91.05396	6.3
92.10851	1.4
93.06981	49.9
95.04905	2.2
95.08538	77.1
97.02817	2.3
97.06480	14.8
97.10107	39.8
99.07973	2.1
107.08537	33.6
109.10116	32.7
111.08030	9.2
111.11667	10.2
121.10104	56.8
123.11672	8.5
132.82227	1.2
135.11656	39.0
137.13263	2.2
139.11166	4.7
148.00223	1.4
149.13246	13.6
151.14832	2.5
153.12709	2.0
163.14825	5.2
165.16362	2.4
167.28870	1.2
169.39066	1.3
170.49246	1.3
191.18059	1.6
247.24129	31.3
260.29861	1.3
265.25204	58.3
271.05969	5.6
283.26291	7.0
339.28891	53.4
357.29816	7.1
457.73907	1.3
461.00574	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	0.4
56.04972	0.2
57.03368	0.2
58.36826	0.1
60.04439	0.2
60.72944	0.1
69.03336	0.9
70.06137	0.2
70.06508	3.6
71.06834	0.1
72.08070	1.6
73.73840	0.1
74.05992	0.2
74.09566	0.1
81.03334	0.1
84.04428	1.3
84.08067	2.2
85.02834	0.8
86.05975	0.9
86.09624	1.1
87.04392	2.2
87.05515	0.1
90.75237	0.1
91.05388	0.2
95.04865	0.1
97.02817	0.5
98.05976	0.1
99.04395	0.1
101.07060	0.1
102.05433	0.4
103.05386	0.5
104.07034	1.9
107.04897	1.9
110.07120	1.1
112.08675	0.1
115.03875	0.1
115.08591	0.1
116.07026	0.2
119.04871	0.1
120.08068	0.2
121.02846	0.4
123.04365	0.1
129.10188	1.4
130.05034	0.1
131.04890	0.8
133.04901	0.1
135.04376	2.3
136.07529	0.6
137.05939	0.1
138.03163	0.3
149.02312	8.6
150.02876	0.1
153.05437	2.6
159.69495	0.1
163.03862	6.3
163.05266	0.2
163.07489	0.2
164.04158	0.1
165.05441	0.5
166.02536	0.8
177.01805	0.8
181.04898	3.2
194.02065	6.9
195.02359	0.1
209.04410	100.0
210.04755	2.8
255.12024	0.1
418.67245	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	520.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	1.9
55.01805	3.4
55.05452	12.6
56.04963	9.4
56.96504	2.1
57.03361	4.2
57.07002	2.5
60.04455	7.8
62.93509	1.6
65.03846	2.5
65.18623	1.4
67.05421	28.1
68.04956	1.5
69.03361	17.1
69.06997	14.2
70.02828	1.7
70.06144	3.9
70.06508	91.3
71.04897	8.4
71.06866	1.7
72.08067	24.3
73.02833	3.7
74.05991	7.2
76.02123	2.0
79.05401	29.2
81.03334	7.2
81.06973	100.0
81.07447	3.9
83.04876	7.2
83.06004	3.7
84.04424	29.3
84.08067	41.6
85.01050	34.7
85.02345	2.3
85.02827	34.6
85.06478	2.6
85.08380	2.1
86.09628	69.3
87.02604	4.0
87.04418	2.0
88.02116	8.4
88.03922	27.7
91.05412	34.9
91.26591	1.9
93.06971	43.8
95.04884	7.9
95.08524	41.4
96.08061	2.4
97.02837	12.2
97.06455	3.4
99.02592	3.3
99.04372	2.5
101.07067	4.2
102.05486	2.4
103.05363	2.9
105.06973	69.3
106.07294	2.2
107.04863	3.7
107.08536	40.3
109.06480	9.4
109.10093	14.0
110.07106	23.5
111.02589	3.9
112.08672	3.2
113.04200	2.3
115.05371	2.7
115.86135	1.7
116.07029	2.3
117.06205	2.3
117.06964	19.4
118.06388	1.8
119.04866	2.3
119.08538	62.5
120.08068	15.0
121.06424	2.7
121.10078	10.7
122.02673	18.1
123.11652	83.5
123.12500	3.9
124.07567	2.2
125.05909	2.8
126.03647	1.9
127.03879	2.1
128.06190	1.8
129.06938	8.8
129.10205	14.6
130.04858	1.9
131.01601	14.3
131.08530	62.2
132.01068	2.8
132.77342	1.9
133.05948	1.7
133.10097	44.6
135.08026	3.9
135.11641	11.5
136.07558	11.7
137.05928	9.6
137.09523	2.6
142.07774	3.0
143.08583	17.0
144.09279	3.2
145.03078	3.0
145.06465	4.1
145.10098	62.8
147.04378	1.9
147.08002	9.0
147.11668	58.1
149.04118	2.8
149.13144	2.4
151.11234	2.0
155.08514	7.5
156.04785	6.4
157.10066	15.2
157.13348	2.7
158.10855	7.5
159.07932	7.3
159.09137	3.4
159.11658	30.9
161.09651	13.7
161.13216	30.1
163.05714	7.5
163.07474	6.4
163.14751	2.3
165.05475	2.2
168.09235	4.3
169.10025	2.7
171.11641	23.0
173.09599	2.7
173.13228	67.8
174.13617	3.0
175.11150	2.3
175.14764	19.8
177.05365	6.8
177.07288	3.5
177.08931	2.5
182.10840	2.9
183.11598	14.3
183.14816	2.2
187.11139	2.5
189.12711	58.5
190.12939	3.4
191.14250	7.7
197.13029	1.8
199.10948	2.5
201.12709	47.0
202.05267	7.8
203.08775	2.2
205.10403	11.6
207.13811	8.4
219.11702	2.0
219.13754	44.9
221.09909	8.6
233.09801	3.0
237.14760	2.6
239.10966	3.5
251.10942	9.9
269.12012	23.8
287.05362	8.7
294.03326	1.9
310.14633	23.6
312.16068	2.9
322.14670	2.2
328.15723	21.5
340.12057	2.2
340.15720	37.9
358.16742	97.3
499.25079	2.3
519.24530	2.2
520.22925	3.4
521.32941	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	520.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17018	2.2
54.81500	2.2
55.05444	12.9
55.26675	2.0
56.04958	16.0
57.03373	8.9
57.98758	1.8
58.99512	25.3
59.00842	2.0
59.86813	2.5
60.04445	3.3
62.11223	1.8
65.03885	2.1
67.05418	27.1
68.04935	4.0
68.46136	1.9
69.03335	15.8
69.06976	14.6
70.06507	48.4
71.04906	4.3
72.08055	12.7
74.00574	3.3
75.56861	1.8
76.02135	54.3
76.03909	2.1
77.17551	2.3
77.86820	2.2
79.05402	16.2
80.04869	2.5
80.56519	2.1
81.06978	43.7
82.06484	3.4
83.04886	3.5
83.06008	3.9
83.08546	5.1
83.28989	2.5
84.04419	35.9
84.08069	24.6
85.01047	3.7
85.02830	16.6
85.06450	4.5
86.00564	14.6
86.09635	25.1
86.98975	14.1
87.02608	3.0
87.04399	5.4
88.02085	4.7
88.03909	3.8
91.05374	26.9
92.10321	2.7
93.06957	39.5
95.04865	3.8
95.08521	28.8
97.01044	12.9
97.02803	5.9
97.06464	5.8
99.05518	3.1
102.05460	15.4
103.05359	3.4
105.06971	21.9
107.08530	26.9
109.06432	3.4
109.10075	10.2
110.07084	12.6
111.02606	11.3
111.08034	3.4
114.03753	2.4
115.03901	4.2
116.01619	56.4
117.07000	5.4
119.08531	23.6
120.08051	15.6
121.06454	2.9
121.10088	11.6
123.08012	3.0
123.11617	4.1
129.06534	2.5
129.10188	13.5
130.04919	9.4
131.08510	14.6
133.02829	2.8
133.04893	4.1
133.10094	16.6
135.08015	3.9
135.11630	13.4
136.07564	4.2
137.04198	3.0
137.05963	4.9
142.03160	3.9
144.01109	15.9
145.10060	9.6
147.11685	4.1
149.13237	12.9
151.11201	4.7
157.10028	3.4
159.11638	11.7
161.13232	4.7
162.02187	34.5
173.13240	5.4
177.12717	5.1
179.04863	16.2
181.06276	2.4
183.11473	2.6
191.14201	4.3
195.13747	3.8
201.16470	4.0
206.15315	3.1
206.90956	2.4
209.15320	20.5
212.16621	3.2
213.48085	2.5
217.99434	2.8
218.15378	2.9
226.12502	2.9
233.06036	2.8
252.14090	17.9
253.12564	2.8
270.14795	24.0
271.05716	2.9
272.06412	3.0
273.14383	2.2
288.16138	15.5
312.12451	3.3
373.17819	100.0
374.18134	3.0
391.18710	10.1
396.00345	2.6
445.19882	3.7
487.52820	3.0
520.23102	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	520.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	8.4
53.04109	1.2
55.01815	2.1
55.05438	6.1
57.03369	6.8
59.04918	1.7
61.02847	2.8
67.05426	5.4
67.43578	1.5
69.03349	30.2
69.06992	25.8
70.06492	5.7
71.04917	10.0
71.05240	1.3
73.02810	8.7
78.04653	1.2
79.05402	7.6
81.02557	1.3
81.03338	23.9
81.06973	16.6
83.04907	1.7
84.08053	2.2
84.17691	1.3
85.02824	89.3
85.06472	1.8
86.09616	2.5
87.04398	12.2
91.05393	9.4
93.06967	23.5
95.04880	7.1
95.08533	29.9
97.02814	51.3
97.06441	5.3
99.04385	60.9
103.03876	99.1
105.06969	26.4
107.08531	14.9
108.04410	2.5
109.02817	33.3
109.10093	5.9
110.07070	1.4
115.03876	10.1
119.08535	31.5
120.08870	1.6
121.10108	11.8
123.11668	1.9
125.34238	2.0
127.03875	100.0
131.08546	3.1
133.04915	6.6
133.10088	18.2
135.11653	18.5
137.05916	2.8
139.11189	2.4
145.04939	33.6
145.10066	8.4
147.11655	7.5
149.13223	2.2
151.11137	2.7
157.09882	1.7
159.11633	2.5
159.84714	1.4
161.13228	14.2
163.05984	22.1
165.09044	10.6
165.12688	5.6
171.11450	1.7
173.09555	1.6
173.13208	7.4
179.14221	2.8
187.05978	3.3
191.14235	9.8
197.11638	14.2
209.11855	2.1
209.15318	49.0
271.07947	5.1
287.23550	1.9
289.05402	1.6
289.09018	3.4
305.13638	7.1
307.10126	2.7
309.04999	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25074	0.8
53.00241	1.1
53.03875	0.7
54.44307	0.7
55.01805	1.5
55.05456	10.7
56.96508	0.8
57.03373	14.5
57.07016	2.9
59.04934	3.8
59.44257	0.7
67.05421	9.6
69.03351	39.2
69.06991	41.4
70.06497	3.9
71.04906	10.9
72.08082	1.3
73.02829	4.0
73.06445	0.7
75.04379	4.7
79.05405	11.7
81.03362	1.1
81.06975	32.1
83.04916	2.9
83.08541	3.3
84.08054	1.9
85.02827	32.8
85.06454	4.4
86.09628	2.9
87.04388	22.3
91.05396	13.7
93.06973	49.9
95.04890	3.2
95.08534	78.0
97.02828	27.5
97.06475	7.6
97.10098	1.9
99.08029	1.1
103.05367	1.1
105.06978	54.2
107.08543	33.6
109.02864	0.9
109.06445	4.7
109.10098	10.3
111.08035	1.8
111.11662	5.7
115.03885	18.8
115.07504	1.7
117.07002	1.4
119.08539	71.4
120.08849	1.3
121.06514	0.7
121.10100	19.6
123.08056	1.1
123.11672	6.1
127.03883	3.3
127.07511	2.7
129.10202	1.0
131.08525	12.2
133.04942	12.8
133.10095	31.9
135.08025	1.1
135.11655	35.2
137.09552	1.1
137.13190	0.9
139.11137	4.1
143.08565	1.2
145.04953	1.5
145.10107	10.0
147.11673	17.7
149.13220	4.4
151.11148	8.0
157.10086	3.3
159.11653	3.8
161.13217	27.7
163.11150	1.3
163.14787	7.1
165.12729	11.6
171.11635	3.8
173.13205	9.1
175.14809	1.0
177.16248	1.2
179.14297	5.2
181.12241	3.9
185.13257	1.5
187.14806	1.4
189.12741	1.1
189.16245	1.2
191.14279	19.3
193.15909	1.0
199.14816	1.1
201.16434	1.0
209.15338	100.0
210.15720	3.5
213.16324	1.3
215.17889	1.0
254.80327	0.8
269.22607	3.5
272.66150	0.8
274.20483	0.8
277.38925	1.0
287.23685	3.5
305.24957	1.1
334.57932	0.8
344.14075	0.8
371.20358	1.1
462.63913	0.8
468.45819	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09700	0.4
54.86904	0.5
55.05457	0.5
60.08094	10.3
60.50752	0.4
67.05401	0.6
71.07294	4.5
76.46814	0.5
81.06982	0.9
86.09621	52.3
98.98390	4.8
104.10678	3.9
124.99953	36.0
143.01025	0.8
160.24622	0.6
163.77614	0.5
180.28123	0.6
182.56361	0.6
184.07292	100.0
239.57530	0.6
351.02328	0.6
520.33917	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	520.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05422	1.3
56.04982	0.9
58.06527	1.1
58.62220	0.8
60.07788	1.0
60.08093	24.5
67.05420	1.8
69.06953	0.9
71.07289	10.3
76.98717	0.9
79.05404	0.9
81.06966	2.0
86.09628	80.9
90.40792	0.8
92.10327	1.3
93.06995	1.1
95.08482	1.2
95.62256	0.9
98.98422	7.2
104.10680	93.9
124.99968	49.9
125.86232	1.0
163.01428	1.3
184.07301	100.0
482.00311	1.1
502.32672	9.2
520.33856	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	521.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02324	0.2
53.03889	0.5
55.01806	1.2
55.05447	0.6
56.04979	0.6
57.03368	0.4
58.00764	0.2
60.04448	0.5
60.68264	0.2
61.02854	0.4
61.93796	0.2
62.66861	0.2
66.52668	0.2
69.03346	2.0
69.06989	0.3
70.01678	0.2
70.02848	0.2
70.06509	7.5
70.06889	0.3
71.04877	0.3
72.08064	4.0
73.02823	0.4
75.02323	0.2
77.03847	0.5
79.05413	1.8
81.03326	1.0
81.06975	0.3
84.04420	2.2
84.08065	4.4
85.02837	3.6
86.09619	4.7
88.03935	0.3
91.05402	5.7
94.04097	0.3
95.04897	1.9
97.02818	1.5
99.04382	0.3
101.07117	0.3
102.04618	0.4
102.05477	0.9
103.05399	67.2
104.05746	0.9
105.06976	10.3
105.07651	0.5
107.04905	2.5
109.02831	0.3
109.06461	0.4
110.07110	2.1
112.08688	0.2
113.07066	0.2
113.28471	0.3
115.05395	2.5
116.07036	0.5
117.06952	1.0
119.04887	5.9
119.08508	0.2
120.08042	2.1
121.06457	2.0
122.03592	2.3
123.04410	0.3
126.33581	0.3
127.03883	0.5
128.06210	0.9
129.06981	1.8
129.10185	1.9
131.04889	100.0
132.05252	1.2
133.06459	8.2
133.07478	0.3
135.08031	1.0
137.05951	39.0
138.06279	0.3
143.04987	0.3
143.06004	0.5
145.06468	0.4
146.03627	0.3
147.03308	0.5
147.04376	4.6
147.07941	0.5
148.05113	0.2
149.05931	1.0
151.03876	1.0
151.07527	4.4
157.06482	1.1
158.07181	0.2
159.07887	0.3
161.05943	9.9
161.09671	0.4
162.06744	0.3
163.07506	20.5
164.07907	0.4
165.06987	0.3
167.06950	0.2
172.05231	0.3
174.06738	1.5
175.07460	2.6
177.05247	0.3
177.09093	3.0
178.07709	0.3
179.03365	1.1
179.07025	1.4
181.06241	0.2
187.07516	1.6
189.09045	3.4
189.10583	0.4
190.07739	0.4
191.08533	0.9
193.06468	0.4
193.08516	0.5
193.10132	0.5
194.07251	1.2
199.07405	0.3
202.07727	0.3
202.92537	0.2
203.08583	0.5
205.06467	0.6
205.10115	0.3
207.08167	0.3
208.08739	0.3
209.09392	0.2
210.87680	0.3
218.07147	0.5
219.08066	0.5
219.10115	0.3
221.09581	1.3
222.06743	0.5
233.09570	1.3
235.07367	0.4
236.08432	0.3
237.08995	0.4
238.99966	0.3
247.07446	0.3
249.09053	0.5
250.09706	0.3
251.10678	0.5
252.07909	0.2
253.01671	0.3
253.12190	2.0
261.09091	0.5
264.07614	0.3
265.08517	2.6
265.11139	0.3
279.10077	0.5
281.11703	1.4
285.10999	0.9
291.10089	1.0
293.11752	1.0
295.09576	0.4
297.11160	2.4
310.11655	0.3
311.12772	1.2
313.14264	4.0
325.14246	1.6
343.04788	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02326	0.2
53.03877	0.2
55.01820	0.4
55.05451	0.2
56.04977	0.4
57.03363	0.2
58.06543	0.2
60.04472	0.2
69.03341	0.6
70.06511	4.2
72.08078	2.4
74.05987	0.3
77.03842	0.2
78.94440	0.2
79.05401	1.4
81.03322	0.3
81.50065	0.1
84.04422	1.9
84.08068	2.8
85.02834	1.4
86.09633	2.4
87.05537	0.2
88.03826	0.2
91.05417	1.8
94.54633	0.2
95.04898	1.7
97.02815	0.3
102.04629	0.3
102.05468	0.4
103.05405	67.6
104.05772	1.3
105.04461	0.2
105.06978	12.4
106.07334	0.2
107.04886	0.8
109.02821	0.2
110.07096	1.1
111.04376	0.2
115.05409	2.2
116.07044	0.2
119.04893	2.2
120.08060	0.7
121.06499	0.3
122.03580	0.3
125.07062	0.2
126.05433	0.2
126.42173	0.1
129.10207	1.3
130.04953	0.2
131.04897	100.0
132.05173	2.0
133.06458	8.9
136.07568	0.2
137.05948	5.8
143.05992	0.9
145.06403	0.2
147.04399	1.5
147.08095	0.2
149.05997	0.3
151.03902	0.2
151.07446	0.2
159.07980	0.2
161.05946	13.2
162.06332	0.2
163.03830	0.3
163.07513	16.6
164.07831	0.3
169.98907	0.2
172.05139	0.4
175.07501	1.2
179.06932	0.3
187.07445	1.5
191.08435	0.2
214.01462	0.2
218.06961	0.2
219.07980	0.4
231.07756	0.2
247.07390	0.2
251.10637	0.9
257.08694	0.2
279.10059	0.3
291.10211	0.3
311.12610	0.8
359.13068	1.8
371.10971	0.3
374.00037	0.2
376.35611	0.2
389.24670	0.2
521.18585	2.1
521.25854	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	1.1
55.01794	1.1
55.05446	2.7
56.04973	2.9
57.03379	0.8
58.22774	0.5
60.04449	2.6
66.12458	0.5
67.05409	0.9
69.03331	3.9
69.06987	0.8
70.06136	1.1
70.06507	22.3
72.08068	12.1
74.05975	1.3
79.05396	3.2
81.03314	0.6
81.06957	1.3
84.04427	9.0
84.08064	16.2
85.02825	9.7
86.09626	13.8
88.03912	1.2
91.05407	6.1
93.04462	0.6
95.04882	1.3
95.06004	0.7
95.08529	0.9
95.40643	0.5
97.02817	3.4
98.97518	0.8
101.88445	0.5
102.05469	2.3
103.05399	59.8
105.06976	14.6
107.04914	0.9
107.08491	0.7
109.02776	0.8
110.07117	7.3
112.07559	0.7
112.08658	0.7
114.09111	3.6
115.05408	3.2
115.08643	0.9
116.07036	1.1
116.98573	0.6
119.04883	7.2
120.08067	6.2
121.06463	0.7
122.03618	0.7
127.03883	0.8
127.08649	0.6
128.10732	0.7
129.10181	7.6
130.04962	3.7
131.04890	100.0
132.05217	2.1
133.06454	10.5
136.07530	1.2
137.05954	15.7
138.06424	0.6
143.06024	0.7
143.11877	0.6
145.04993	0.9
147.04381	7.6
147.07607	3.9
151.03929	1.1
151.07535	2.8
157.06424	0.6
159.09163	0.8
161.05960	12.0
163.07503	17.6
167.06912	0.8
172.05225	0.7
173.13031	0.7
175.03645	0.8
175.07442	1.4
177.00630	0.8
177.09123	0.9
179.06935	3.3
187.07547	0.8
189.05200	4.2
189.06879	0.7
189.08943	1.2
191.08656	0.6
219.07971	0.8
249.07317	1.3
263.78033	0.8
279.10104	1.0
323.12289	0.7
328.87317	0.7
521.19598	12.3
523.54889	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	9.5
56.96507	1.8
66.61539	1.4
69.06977	2.3
70.06496	6.2
70.87652	1.5
81.06959	3.6
83.08525	7.4
84.04421	1.7
84.05693	1.5
84.08040	3.5
85.02823	3.4
86.09624	6.6
91.05367	1.7
92.64065	1.4
93.06954	1.9
95.08521	3.2
98.09565	2.3
98.97504	1.7
100.11179	29.3
105.06982	3.2
107.08537	2.1
111.04373	2.0
116.98589	1.7
119.08491	2.3
129.10202	1.6
131.04924	1.6
137.05956	11.4
139.08696	1.6
168.17403	20.3
173.13159	1.6
182.15340	12.6
185.09641	3.1
187.14775	1.7
198.54547	1.5
205.15851	1.9
209.16409	3.0
210.14885	6.2
282.05322	1.8
310.04782	2.7
325.06967	10.1
346.08325	2.3
356.06580	1.7
357.07419	2.6
370.04843	2.1
384.41150	1.8
385.06824	12.7
389.10156	2.2
394.34326	6.1
402.07257	3.1
403.08371	2.3
413.06381	7.4
417.09592	16.5
419.07794	2.3
434.09778	2.1
441.05927	3.3
445.09048	7.2
449.12198	21.0
462.09271	2.3
473.08517	8.7
478.30728	2.5
490.09030	3.5
503.39429	2.4
505.11163	100.0
521.40509	33.1
522.40540	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	522.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46883	0.8
50.69386	1.1
54.64173	1.2
54.81350	1.2
55.05438	2.5
58.87998	1.1
61.81459	1.3
62.39271	1.0
68.11650	1.1
69.03341	1.9
69.06956	1.3
70.06484	6.7
72.08059	2.7
74.52025	1.2
81.06931	1.7
84.08062	2.3
85.02817	6.1
86.09616	2.9
92.10994	2.5
93.06949	1.3
95.04874	1.3
95.08517	2.0
100.11182	16.8
105.06933	2.0
107.08537	2.6
109.10108	1.9
110.07093	2.7
111.91122	1.3
118.84749	1.2
119.08511	2.7
120.08095	1.4
122.03587	2.0
126.02424	3.0
127.03872	2.1
128.07092	1.5
129.10187	2.1
133.10060	1.6
137.05917	10.5
140.31631	1.2
168.17430	5.2
173.13312	1.6
178.04938	2.9
182.15442	2.6
185.09834	3.0
210.14713	1.8
308.30869	1.6
311.05493	1.6
315.06238	1.6
325.07193	15.3
329.07980	1.9
342.05273	2.2
345.07474	2.5
356.06531	2.4
357.07321	6.6
370.04547	2.2
374.07892	1.7
384.06186	1.8
385.07013	11.3
387.04657	2.0
389.09848	1.9
394.33740	1.7
395.34723	1.5
398.03940	1.7
402.07294	2.2
403.07831	2.6
413.06396	7.0
417.09564	15.5
428.08664	1.6
429.05743	2.2
441.05948	2.6
445.08951	7.1
449.12277	23.5
472.07480	2.4
473.08371	4.6
477.11417	1.8
490.08817	2.8
495.60022	1.6
505.11160	100.0
506.11407	6.9
521.40289	6.6
522.40485	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	522.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55181	1.2
54.82037	1.3
55.05455	28.2
55.88190	1.1
57.03373	18.2
57.07019	2.5
59.45551	1.2
62.37264	1.3
63.63644	1.3
67.05424	55.2
69.06985	33.2
69.46152	1.3
71.04889	2.0
74.45264	1.4
78.63379	1.1
79.05401	8.8
81.06972	59.4
83.08530	14.1
88.03905	10.7
90.05473	2.1
91.05395	11.6
93.06959	15.2
95.04888	1.7
95.08530	35.9
97.02868	1.5
97.06492	1.9
97.10104	3.3
98.03332	1.3
98.98379	11.9
102.57315	1.6
105.06975	6.8
106.04950	2.1
107.08559	9.2
109.10127	14.7
111.07907	1.6
119.08553	2.9
121.10113	6.4
123.11637	3.4
133.10127	3.0
135.11673	2.1
135.78566	1.8
137.13168	1.5
147.11679	2.5
148.11035	1.7
155.00902	1.4
180.13387	1.5
246.84892	1.4
266.80521	1.6
314.59384	1.6
337.27304	100.0
338.27710	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	522.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03897	0.8
54.82129	0.7
55.01797	2.0
55.05453	9.2
56.56938	0.7
56.96493	0.9
57.03357	0.7
58.06529	1.5
59.07291	0.7
60.08089	19.7
67.04154	1.6
67.05422	10.1
68.04940	4.3
69.03308	0.9
69.05719	5.5
69.06976	5.6
70.06520	0.8
75.71533	0.7
79.05399	10.3
81.03313	1.1
81.06505	1.4
81.06968	30.2
83.08525	4.5
85.02808	1.0
91.05406	8.4
92.10341	0.9
93.06980	7.4
94.05236	0.9
95.04874	4.7
95.08525	8.0
97.06448	1.5
97.09998	0.7
99.01356	1.2
100.02140	5.9
105.06969	8.2
106.06447	0.8
107.04852	1.3
107.08520	5.8
109.06450	5.2
109.10088	4.3
111.07961	1.1
113.01671	0.8
113.10782	0.8
117.06959	1.7
119.08516	5.5
121.06429	1.6
121.10059	3.5
123.07961	0.9
123.11618	1.5
125.01652	1.5
126.02440	24.3
127.03210	77.6
128.03574	0.7
129.04733	0.8
131.08534	3.8
133.10056	4.5
135.11662	0.8
138.05475	0.9
139.03168	1.3
143.02666	1.4
143.08539	1.2
144.38481	0.8
145.04276	66.0
145.10141	1.5
147.11629	4.0
151.11256	1.0
157.06633	1.3
159.11667	1.5
165.12691	1.1
184.09036	1.7
185.09770	42.1
186.10507	5.6
215.13791	0.8
221.04106	1.0
275.20020	1.4
309.16116	1.5
350.16891	0.9
402.21521	0.9
419.23596	5.8
478.30865	100.0
479.31427	6.6
486.22955	0.9
522.29761	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	522.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81516	1.4
56.36712	1.7
57.07021	1.7
57.47876	1.3
65.17075	1.5
71.00854	1.6
85.72210	1.5
127.61217	1.6
135.34561	2.1
495.32999	9.1
518.12421	2.3
522.33887	100.0
522.59570	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	522.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	1.8
56.04942	1.6
58.06522	0.9
60.07827	1.2
60.08092	24.1
63.18930	0.7
69.06959	4.2
71.07286	9.4
81.06954	1.2
83.08524	1.5
86.09622	78.9
95.08532	1.7
98.98392	7.2
104.10674	99.5
113.68203	1.0
121.10072	1.0
124.99950	53.2
136.35661	0.9
157.63089	1.0
184.07295	100.0
185.07596	1.3
241.77956	1.0
488.74097	1.1
504.11420	1.0
504.33936	5.9
522.35406	34.1
523.35657	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	522.355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88933	0.3
52.77208	0.3
56.04958	0.3
56.28194	0.4
59.24421	0.4
60.07827	0.5
60.08089	9.2
69.06968	0.6
71.07283	4.3
81.54634	0.4
83.08511	0.4
86.09620	48.3
89.71571	0.3
91.06874	0.4
93.06928	0.4
98.98389	3.9
104.10658	3.3
124.99952	36.5
158.42873	0.3
184.07288	100.0
185.07642	2.4
196.09001	0.4
274.92981	0.4
284.82404	0.5
504.34100	0.6
522.35321	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	522.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71592	0.3
55.05452	0.4
55.78228	0.4
57.07002	0.4
67.05435	0.3
69.07004	0.5
72.92472	0.3
76.11247	0.3
79.05408	1.8
81.06993	0.6
83.04900	0.5
86.09647	0.5
91.05394	3.6
93.06967	1.5
95.04893	0.6
95.08549	0.5
103.05387	0.9
105.06971	28.8
106.07274	0.4
107.08553	1.9
109.10101	0.8
110.27238	0.4
114.03914	0.4
117.06985	0.6
119.07674	0.7
119.08533	19.8
120.08860	0.5
121.06456	25.4
121.10081	0.9
122.06751	0.5
129.76166	0.4
131.08548	0.5
133.06453	81.4
133.10062	4.4
134.06805	1.8
134.10858	0.8
135.07994	7.5
135.11630	0.8
137.09589	17.8
138.09891	0.6
143.08395	0.4
144.09317	0.6
145.20782	0.4
147.08038	9.8
147.09096	0.9
149.09586	2.4
149.13235	5.2
151.07524	8.1
159.11653	0.6
161.09576	4.6
163.07538	0.7
165.09058	2.8
167.34575	0.4
177.09079	64.5
177.12695	100.0
178.09415	1.8
178.13005	3.0
184.07188	0.4
194.18382	0.4
241.12161	9.6
260.39438	0.4
285.14780	24.3
286.15128	0.7
297.18454	1.2
341.20853	1.5
393.20303	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86602	3.3
55.05450	58.3
56.03925	3.6
57.03370	11.0
57.07014	33.3
60.08097	4.3
61.02839	16.4
63.00665	3.9
67.05419	70.4
69.06989	100.0
71.04887	4.4
71.08538	24.9
77.63505	4.4
79.05417	37.9
81.06975	78.4
83.08536	66.9
83.10124	4.8
85.02836	19.3
85.06506	4.1
86.09619	45.6
86.10080	5.9
93.06981	59.4
95.08533	74.9
97.06454	24.8
97.10096	50.8
101.27557	4.3
104.10700	34.5
107.08556	31.6
109.10115	30.5
111.07964	6.6
111.11650	6.7
121.10100	88.8
121.42853	4.4
123.11632	9.6
124.99960	17.7
135.11656	49.2
137.13246	7.3
149.13196	25.1
151.14789	7.8
163.14772	7.4
184.07297	68.4
233.22647	39.2
251.23596	96.2
258.98230	5.2
269.24719	16.5
325.27341	71.9
343.28253	32.6
386.04987	4.8
522.35168	7.5
523.24274	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	522.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61549	5.3
55.05443	30.8
57.03356	6.6
60.62156	5.4
67.05421	25.7
67.69629	5.6
69.03344	9.0
69.06982	27.1
70.06506	40.0
72.08062	25.1
76.76455	5.7
79.05410	25.3
81.06976	61.8
83.08537	10.6
84.04424	6.9
84.08068	15.3
85.02818	14.5
86.09615	33.9
91.03886	6.8
91.05392	41.0
92.03914	7.1
93.06973	69.9
95.08538	87.4
97.02834	10.3
99.02551	6.5
100.11182	7.0
103.49342	7.2
105.06964	90.3
107.08540	100.0
109.10088	38.2
110.07096	13.1
114.09073	6.4
116.98553	8.9
117.06966	14.0
119.08534	81.4
120.07976	8.6
121.10091	74.8
123.11623	23.5
125.09581	29.3
131.08524	49.3
133.10098	75.7
135.08086	9.6
135.11656	32.2
143.08479	12.9
145.10104	97.2
147.11638	34.2
149.13239	14.7
151.11212	6.9
157.10104	38.5
159.11673	68.0
161.13269	37.4
171.11650	25.5
171.68307	7.2
173.13223	40.1
175.14793	41.6
183.11568	6.8
185.13235	32.5
187.14720	49.7
189.16376	31.2
193.15872	10.2
199.14749	46.0
201.16338	50.6
203.14200	8.2
205.15869	26.6
211.14786	9.3
213.16313	33.4
215.17999	8.4
219.17358	15.4
231.17325	24.8
405.31302	37.3
423.32224	40.2
451.31802	42.3
469.32996	38.8
523.28174	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	523.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	2.7
55.01802	2.4
55.05441	0.4
57.03369	5.6
59.04934	0.3
61.02852	12.9
69.03347	20.1
70.06522	0.6
71.04902	3.1
72.08044	0.5
73.02824	5.0
73.06477	3.6
81.02903	0.6
81.03342	8.0
83.01256	0.5
84.04395	0.4
85.02824	100.0
86.03156	0.3
86.09608	0.4
87.04376	3.7
91.03883	5.6
97.02824	22.5
97.03452	0.7
98.97511	0.5
99.04374	5.0
101.02337	0.4
104.23090	0.4
109.02820	6.9
115.03889	1.6
117.17549	0.4
127.02930	0.8
127.03868	20.5
128.66980	0.4
132.08136	0.4
136.07465	0.4
144.08057	0.7
145.04930	30.9
159.09184	0.9
161.02974	0.6
163.05978	11.8
163.89908	0.4
177.73314	0.4
237.02745	0.7
237.10120	0.4
245.09123	0.5
262.12833	2.6
325.11282	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29852	0.5
50.45142	0.5
55.05438	1.1
57.03369	2.5
57.07005	3.1
67.05416	0.8
71.08535	2.6
74.45211	0.6
81.06995	1.2
83.08543	0.9
85.05904	0.5
85.10065	0.7
95.08535	0.9
96.08887	0.6
97.10117	0.9
107.08522	0.8
107.21657	0.7
121.62963	0.6
211.09332	4.9
219.45061	0.7
267.11877	1.2
313.27319	1.4
403.42297	0.6
486.37061	0.7
523.35925	100.0
524.36090	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	0.3
55.01794	0.3
58.97052	0.3
69.03356	0.4
85.02805	0.6
88.30813	0.3
91.05402	14.5
92.10375	0.5
93.06964	0.5
93.69836	0.3
95.04896	6.1
103.05405	0.6
113.94192	0.3
118.06561	0.4
119.04897	29.7
121.06434	1.4
123.04382	44.8
124.04752	0.5
127.03853	0.5
134.38808	0.3
136.07552	100.0
137.05858	0.4
137.07907	1.7
147.04387	17.4
158.66177	0.3
165.05438	55.2
166.05792	1.2
180.30415	0.3
182.08090	49.7
183.08418	0.6
221.42616	0.4
539.85126	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51804	0.1
53.00222	0.1
53.03877	0.2
54.81667	0.1
55.05433	0.4
56.04957	0.3
57.03373	1.0
60.04454	0.3
62.05980	0.1
67.05418	0.2
69.03348	0.2
69.06982	0.2
70.06198	0.1
70.06509	2.6
71.04903	6.3
72.08067	1.6
73.02819	0.1
74.05985	0.2
74.73129	0.1
78.04599	0.1
79.05400	0.5
81.03315	0.1
81.06976	0.2
83.04898	0.5
83.06019	0.1
84.04414	1.1
84.08057	2.6
85.02821	6.4
85.80943	0.1
86.09615	2.2
87.05489	0.1
89.17277	0.1
91.05381	1.2
92.10276	0.1
93.06974	0.5
95.04877	0.8
95.08512	0.5
97.02853	0.1
101.62943	0.1
102.05457	0.2
103.05411	0.4
106.04105	0.2
107.04882	1.1
107.08530	0.2
108.05691	0.2
109.06456	0.6
110.07096	0.8
115.08607	0.1
119.04867	0.1
120.05672	0.3
120.08037	1.0
120.79650	0.1
121.06432	0.3
122.07217	0.1
123.04369	1.1
129.05455	1.2
129.10197	1.1
131.04881	0.6
133.02834	0.1
135.04388	0.2
135.07961	0.1
136.05151	0.7
136.07535	0.7
137.05951	3.4
138.06728	2.4
143.11697	0.1
146.06415	0.1
147.06493	0.4
148.05156	12.9
149.05920	0.2
151.03860	1.5
163.07471	0.1
164.09177	0.2
165.05421	0.5
166.06198	0.4
167.06984	0.2
181.08546	100.0
182.08882	1.6
195.10101	0.6
201.12257	0.2
327.08456	0.2
355.95322	0.1
434.11969	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	524.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81860	14.7
55.05452	13.0
57.03352	15.8
57.07003	13.5
66.36301	13.5
72.18684	13.0
87.04383	28.4
92.10918	17.1
107.08570	20.1
111.46513	15.2
130.23007	15.5
183.24438	15.2
262.98154	16.0
295.87387	16.2
315.32129	15.2
342.13580	18.6
412.17789	14.8
483.34329	92.3
524.29755	100.0
542.02246	17.0
551.53876	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	524.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60827	3.9
57.03368	12.0
57.07015	60.4
67.05426	18.0
69.03347	11.5
69.06989	12.1
71.08533	47.6
81.06963	21.8
83.08521	11.6
85.02823	60.3
85.10108	28.0
86.09628	8.1
89.05933	5.0
93.05424	8.7
95.01254	47.1
95.08523	26.7
97.02809	7.1
97.10159	8.3
102.45440	4.5
104.10664	7.9
106.76389	4.3
109.10119	11.0
113.02317	28.2
116.27224	5.5
123.11630	7.0
131.03333	23.6
141.01784	100.0
141.02811	7.3
141.50642	5.2
142.34714	5.1
159.02876	12.0
184.07262	11.4
239.23630	24.7
257.24622	5.8
313.27316	6.3
322.05426	5.4
415.26633	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	524.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69167	0.5
56.04972	0.8
57.07003	4.4
58.06530	0.9
58.90847	0.6
60.08094	25.8
64.33563	0.6
68.43972	0.6
71.07284	9.1
71.08537	3.2
79.05428	0.6
79.19492	0.6
80.75526	0.7
81.06959	1.3
83.94656	0.8
86.09624	71.2
89.36928	0.6
98.98403	4.4
101.76530	0.6
102.63676	0.6
104.10675	92.9
109.10065	0.8
124.99963	40.1
163.01549	0.9
184.07297	100.0
185.07504	1.0
247.84846	0.7
271.65808	0.8
321.92889	0.7
341.30408	0.9
506.35992	6.0
524.37018	37.7
525.37335	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	524.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05458	18.5
57.03359	13.1
59.04924	2.1
67.05428	100.0
69.06982	9.6
73.67176	2.4
77.13250	2.0
77.82914	2.1
79.05408	22.7
81.06975	36.5
83.08534	5.4
85.06449	2.8
87.04398	3.7
91.05391	14.7
91.57103	1.9
93.06984	22.1
95.04893	2.6
95.08529	32.0
105.06950	10.0
107.08517	13.2
109.10105	58.1
117.06969	2.7
119.08535	9.4
121.10075	9.5
133.10100	4.9
135.11591	2.8
145.10069	2.8
157.72754	2.5
161.13167	2.7
173.11650	9.1
173.13094	2.9
182.68564	2.4
220.86116	2.1
222.56828	2.3
229.14302	39.4
257.34595	2.6
261.22031	5.2
289.07495	2.6
322.31793	2.5
335.25720	31.6
345.96555	2.9
489.35767	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90035	1.3
54.27720	1.2
55.05441	3.5
57.07015	49.8
62.34367	1.2
69.06993	3.4
71.08196	1.9
71.08552	32.7
73.06439	6.0
83.08554	3.3
85.10105	20.8
87.04351	1.8
89.05956	100.0
92.10247	3.2
97.10094	6.9
107.07009	7.8
113.21152	1.6
133.08577	22.4
163.19936	1.9
177.11101	11.6
177.88600	1.5
238.86334	1.7
239.15038	2.4
259.54822	1.7
283.17435	13.0
289.21017	1.8
313.30814	2.8
507.42548	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	525.2329
Annotation	Mascaroside
Peak:m/z	Relative Intensity
53.03891	0.3
55.01802	0.4
55.05437	0.3
56.04968	0.3
56.59425	0.1
56.96506	0.2
57.03358	0.8
60.04445	1.1
65.03863	0.3
66.04642	0.2
66.69266	0.1
67.05424	0.4
69.03343	1.4
69.06962	0.7
70.06133	0.3
70.06506	7.3
71.04904	1.4
72.08061	2.4
74.05982	0.2
74.31818	0.2
79.05401	1.7
79.53723	0.2
81.03341	1.7
81.06966	1.6
83.04884	0.3
84.04423	2.3
84.08063	4.3
85.02818	3.1
85.08421	0.2
86.03163	0.2
86.09625	4.5
87.04394	0.2
88.03913	0.3
91.05410	3.0
93.06956	0.9
94.04099	2.6
95.04874	1.1
95.08507	1.0
97.02810	0.8
99.04382	0.2
99.98062	0.2
101.07081	0.3
101.61428	0.2
102.05463	0.4
103.05390	7.0
104.22728	0.2
105.06966	3.5
107.04880	1.2
107.08516	0.3
109.06468	1.2
109.10110	0.3
110.07103	2.2
111.04401	0.2
113.51138	0.2
115.05405	0.9
116.06153	0.2
117.06950	1.7
119.04885	0.8
119.08562	0.3
120.08044	2.6
121.06453	2.7
122.03593	8.1
123.04376	0.4
123.08015	0.7
123.11639	0.3
127.03873	0.2
128.06160	1.1
129.06950	1.6
129.10185	2.1
130.04961	0.3
131.04889	10.4
131.08499	1.1
132.05179	0.2
133.06448	10.7
134.06865	0.2
134.73610	0.2
135.08012	5.1
136.05237	0.3
136.07535	0.3
137.05945	100.0
138.06261	2.7
141.06926	0.8
143.04916	0.2
143.08517	1.9
143.11794	0.3
144.05698	0.4
145.06453	4.0
145.10080	0.2
147.08018	1.2
149.05983	1.1
151.07516	6.9
152.14307	0.3
153.07095	0.2
157.06438	2.0
159.08008	1.2
160.05099	0.4
161.05959	1.6
162.06740	0.3
163.07497	19.9
164.07935	0.7
165.09010	0.3
167.06969	0.3
169.06499	0.2
170.09180	0.4
171.08015	1.8
174.06723	2.4
175.07501	3.9
176.08025	0.3
177.09067	12.4
177.16365	0.2
178.09311	0.2
181.04924	0.2
181.08565	0.2
186.06688	0.3
187.07431	1.1
188.08275	1.0
189.09030	4.3
190.09398	1.0
191.10672	0.2
194.09198	0.2
199.07550	0.3
201.09123	1.3
203.10648	2.9
205.08382	0.2
209.11163	0.2
217.08583	0.9
219.10115	4.1
220.10493	1.8
221.11693	1.9
235.11188	0.3
245.09546	0.2
247.09932	0.2
248.08118	0.3
261.08777	0.2
263.10559	1.4
288.51352	0.2
292.19220	0.2
295.13211	5.3
296.13406	0.2
313.10358	0.2
313.61487	0.2
325.14059	0.3
327.15842	7.6
328.16241	0.7
337.14343	0.2
344.24380	0.2
345.16797	0.4
355.15714	0.2
483.04037	0.2
506.29709	0.2
525.23047	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.0
53.00240	1.5
55.01817	1.3
55.05449	1.3
56.96477	0.8
57.03361	1.6
67.05421	4.5
69.03342	6.5
69.07007	1.0
70.06506	1.3
71.04918	1.9
73.06467	100.0
79.05415	5.9
81.06972	4.4
91.05410	4.5
93.06972	2.3
95.04903	1.5
95.08537	1.8
96.12215	0.9
100.11184	1.0
103.05394	1.1
105.06995	7.1
107.04898	1.0
107.08538	2.2
109.06483	3.8
117.06960	1.8
119.04858	2.3
119.08533	1.0
121.06458	1.6
127.03888	1.3
128.06119	1.4
129.06972	4.0
129.10188	1.2
131.08530	1.8
133.06456	1.3
135.08026	1.3
137.05948	2.3
139.29062	1.0
141.06999	1.4
143.08537	2.2
145.06467	1.9
145.10179	1.0
147.08032	1.0
155.08533	1.8
157.10147	1.0
159.08113	1.3
161.05946	1.1
165.06918	1.2
167.08519	3.8
169.06435	1.8
169.10106	1.6
171.08017	4.1
179.08482	2.1
181.10118	2.4
183.07976	2.1
192.09300	1.4
195.07936	1.9
197.09608	5.5
203.08516	1.0
205.10144	1.1
207.08003	1.7
207.11653	1.8
209.09628	1.9
211.07608	2.1
211.11165	1.7
213.09087	1.5
220.09044	1.1
221.09596	2.3
223.11153	4.3
225.09073	7.4
227.20212	1.2
235.07460	1.2
235.11209	2.0
237.09111	3.4
237.12564	1.6
239.10654	5.6
243.11552	1.7
244.12328	1.3
245.09541	1.8
245.13316	2.0
247.11124	1.4
249.09087	3.8
251.10573	1.5
253.12378	1.1
257.09244	1.2
258.10336	1.6
259.11179	4.0
261.12598	3.9
263.10666	4.5
265.12250	1.5
271.11130	1.2
273.12576	2.0
275.14212	2.0
277.12112	2.2
279.13751	4.6
284.12064	1.3
289.12286	1.4
297.12567	1.5
299.14438	1.6
301.12656	1.6
301.15811	6.5
302.12955	1.0
303.13705	1.6
305.15268	2.3
311.14243	1.2
319.13132	1.1
333.14835	2.3
356.15796	1.8
365.17252	2.0
397.17291	1.3
407.18436	9.6
411.17950	11.2
429.20831	1.4
447.21478	6.1
465.22729	1.6
475.21066	6.5
483.23691	4.4
493.22232	2.0
507.23792	11.2
525.23438	17.1
525.30310	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	525.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31860	1.7
51.92578	1.5
53.03881	11.1
55.01812	8.7
55.05449	41.2
57.03373	9.9
57.07016	13.5
65.03852	3.8
67.05072	4.1
67.05426	99.9
69.03350	42.5
69.06979	25.0
69.45082	1.9
71.04905	11.5
71.08549	3.1
73.02821	2.7
76.56465	1.9
79.05405	81.2
81.03338	100.0
81.06975	99.1
83.04900	11.3
83.08543	15.3
83.50594	1.9
85.02821	25.7
85.06491	2.2
87.04372	2.0
89.05946	7.8
91.05408	62.5
93.06970	94.4
95.04884	18.8
95.08534	77.8
97.02827	37.5
97.06454	7.7
99.04391	10.5
100.61052	2.0
105.06973	55.1
107.04884	4.7
107.08539	53.5
109.02834	21.0
109.06467	8.7
109.10112	28.8
111.04387	4.3
111.08068	3.2
111.11677	2.2
117.06973	23.8
119.08532	38.1
121.06408	6.9
121.10106	40.8
121.70460	2.2
123.08010	3.1
123.11653	9.6
123.38084	2.0
127.03873	8.2
128.06198	2.2
129.06979	17.9
130.07715	2.4
131.08539	37.6
133.06444	3.9
133.10089	24.6
135.07996	4.1
135.11642	29.1
137.09549	3.6
141.06950	3.7
142.07748	3.0
143.08553	16.2
145.06479	2.3
145.10080	25.7
147.08029	4.2
147.11664	23.7
149.09563	2.7
149.13251	16.5
157.10136	9.7
159.11656	24.0
161.09584	2.2
161.13226	9.1
161.97084	2.1
163.14818	3.3
169.10118	2.8
171.11639	4.7
173.09674	2.6
173.13214	9.2
179.10681	1.9
183.11633	4.2
185.09549	2.4
185.13304	3.5
187.14725	7.9
197.13245	3.0
199.14777	2.8
200.00133	2.4
235.13380	2.5
243.21098	4.6
259.20605	3.0
261.22098	15.6
277.21432	2.1
285.21896	2.4
289.21738	2.8
290.87543	2.1
301.21570	3.0
303.23129	4.7
315.22989	3.5
319.22775	2.4
327.22995	2.8
341.24628	7.0
351.23026	9.7
366.27704	3.4
369.24335	18.3
387.25241	18.9
405.26266	20.8
423.26874	2.9
450.28455	2.8
509.40076	2.8
525.36249	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44292	0.4
53.03877	0.9
55.01801	0.8
55.05452	7.7
56.04968	2.5
56.96480	0.6
57.03101	0.8
57.03375	14.1
57.06993	0.8
59.04928	0.8
60.04452	0.7
61.01084	0.7
61.02834	1.1
63.18636	0.4
67.05429	8.2
69.03355	4.5
69.06985	4.8
70.06514	16.2
71.01248	0.5
71.04908	89.9
72.08082	5.7
73.02812	2.6
73.08385	0.5
74.05964	0.6
75.04406	4.9
76.56694	0.7
77.09155	0.4
79.05406	3.5
81.03313	0.6
81.06502	1.0
81.06973	24.8
83.04898	14.5
83.08530	4.6
84.04399	2.2
84.08067	6.1
85.02827	100.0
85.06469	12.8
85.08388	0.6
86.03133	0.5
86.09628	9.2
87.04389	3.2
87.09957	0.7
89.05934	2.2
91.05415	5.5
93.06948	4.4
95.04900	2.1
95.08527	7.5
97.02821	3.9
97.06454	3.9
98.92117	0.6
99.04372	2.2
99.07992	3.6
100.07556	0.7
100.11169	0.9
101.05928	0.6
102.05450	0.8
103.03888	0.8
103.05404	0.8
105.06967	9.3
107.08537	4.0
109.02811	0.7
109.06441	0.8
109.10085	2.5
110.07098	3.3
111.03807	0.6
111.04409	11.5
111.07997	1.2
119.04881	0.7
119.08510	5.7
120.08061	6.1
121.10088	7.0
123.04379	0.9
123.08027	1.2
123.11658	22.7
127.03830	2.9
129.04491	1.0
129.05435	21.8
129.10181	4.6
131.04839	0.9
133.06447	0.7
136.07561	0.7
137.05917	3.4
137.09544	0.6
137.13251	1.2
141.10182	0.7
145.04933	0.7
146.08116	0.7
147.06517	7.6
147.11659	17.2
148.12041	0.6
151.03918	0.9
159.09180	0.7
163.07445	0.9
164.09117	2.4
165.12715	16.2
167.07034	0.9
181.06171	0.6
183.13762	25.0
184.14154	0.9
186.97249	0.5
201.14827	18.8
202.15134	0.9
237.07516	0.7
273.09726	1.0
278.66104	0.6
293.17255	0.8
296.09076	0.9
303.08804	0.7
309.11609	1.1
347.20233	0.7
413.62738	0.6
527.14709	0.7
546.59949	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13219	0.3
53.00256	0.4
53.03892	0.8
55.01818	0.7
55.05450	8.4
55.53051	0.3
56.04975	0.3
57.03373	14.3
57.07013	0.3
59.04929	1.5
61.02857	2.3
67.05429	8.9
69.03344	4.2
69.06991	4.0
70.06503	3.7
71.01260	0.7
71.04909	80.0
72.05242	0.6
72.08066	2.4
73.02837	3.4
75.04396	5.2
79.05404	3.3
81.03338	2.2
81.06973	36.9
83.04434	0.6
83.04902	15.7
83.08157	0.4
83.08538	5.2
84.04428	1.6
84.08073	4.0
85.02826	100.0
85.06453	1.8
86.03165	0.5
86.09612	2.0
87.04379	2.4
91.05403	5.7
93.06976	5.8
95.04877	0.9
95.08533	8.8
97.02821	4.0
97.06482	1.6
99.04394	2.9
99.08021	0.7
101.05930	0.5
102.05428	0.3
103.03855	1.5
103.05354	0.5
105.06973	16.1
106.11702	0.4
107.08540	6.0
109.02811	2.2
109.06440	1.4
109.10091	0.8
110.07088	1.5
110.10449	0.4
111.04382	11.0
111.07977	0.6
113.05952	0.5
119.08526	9.1
120.08029	1.9
121.10094	15.5
123.08013	1.6
123.11657	67.3
124.11996	0.5
127.03880	3.9
129.04489	0.7
129.05441	21.7
129.10143	0.4
131.08434	0.4
137.05891	1.4
137.13223	3.4
145.04915	1.4
145.10056	2.2
147.05414	0.4
147.06499	10.0
147.11665	36.2
148.11900	0.4
163.11101	0.5
164.09109	0.8
165.07471	0.4
165.12711	33.0
166.12968	0.5
183.13766	19.4
183.85301	0.4
187.14658	0.4
201.13130	0.5
201.14813	8.8
206.87589	0.4
255.08415	1.5
273.09543	2.4
297.34543	0.4
309.11774	3.5
311.18384	0.4
384.93979	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22934	0.6
53.00244	1.3
54.81314	0.6
55.05448	24.4
57.03369	14.6
57.06992	3.6
64.84607	0.7
65.58659	0.8
66.11277	0.7
66.67931	0.7
67.05423	44.8
69.06985	26.5
79.05404	12.0
81.06969	45.4
83.04883	1.5
83.08533	11.6
87.34136	0.8
89.05903	0.7
91.05405	8.3
92.10978	2.1
93.06963	14.8
95.04893	1.4
95.08528	33.5
97.06468	1.9
97.10098	6.2
98.97828	0.9
98.98392	12.9
105.06961	5.1
107.08532	6.5
107.78098	0.9
109.10079	10.7
111.08028	1.0
111.11597	1.0
119.08522	6.6
121.10080	4.5
123.11626	4.0
133.10094	4.2
135.11630	3.9
137.13181	1.1
147.11600	1.3
155.01033	4.4
158.63426	0.8
161.13179	1.5
163.14653	0.9
173.02019	1.3
245.22520	0.9
263.23560	1.7
274.96344	0.8
290.12173	0.9
337.27261	100.0
338.27612	3.9
339.11115	0.9
355.44577	0.9
410.50302	0.9
449.69159	0.9
473.26114	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00233	2.3
53.03887	1.8
54.81820	0.9
55.01802	1.3
55.05436	8.4
55.51142	1.3
56.04963	2.4
56.96470	1.5
57.03371	21.5
57.07000	2.8
58.27914	1.0
58.31437	0.9
59.04918	5.5
60.04443	8.1
61.02844	2.0
61.96721	1.0
67.05431	10.7
67.05729	1.0
69.03344	65.8
69.06976	11.0
70.06139	2.0
70.06501	37.8
71.04879	2.5
72.08060	19.6
73.02827	4.6
74.05982	2.4
75.04372	7.0
79.05401	5.7
81.03326	8.4
81.06969	28.5
83.08528	8.7
84.04433	12.3
84.08060	22.2
85.02824	80.1
86.09624	21.9
87.04391	37.1
91.05398	5.1
93.06987	2.0
95.04932	1.7
95.08525	28.4
97.02226	2.2
97.02811	47.4
97.10086	8.8
99.08008	1.7
100.11191	1.8
102.05474	5.5
103.05383	7.8
105.06986	2.4
107.08511	2.3
109.02829	3.2
109.06452	2.4
109.10101	34.5
110.05981	1.5
110.07098	12.4
111.04350	2.5
115.03869	44.8
119.04870	2.6
120.08053	14.3
121.06443	2.8
121.10042	2.2
122.03601	5.6
123.11652	39.7
127.03863	9.1
129.10184	13.2
130.04935	1.9
131.04874	13.5
131.08517	1.4
132.08093	1.5
133.04913	32.5
133.06415	3.9
135.04329	1.7
135.07986	2.7
136.07544	3.0
137.05940	100.0
137.13196	9.5
138.06268	19.3
145.04930	10.6
145.06438	5.9
146.74817	1.3
148.05965	1.6
149.05856	2.7
150.07623	5.6
151.07526	2.1
153.06952	1.6
159.07996	5.6
161.06017	1.6
163.03821	3.1
163.05986	5.3
163.07495	20.0
164.07829	6.6
175.07458	1.5
176.07994	1.9
177.09047	25.9
177.16287	1.4
178.09415	16.5
178.41701	1.5
179.17888	20.8
181.04935	26.6
181.06400	3.2
182.15344	1.5
193.04868	1.7
195.17213	1.4
197.18944	18.7
207.06512	1.8
209.06033	1.5
210.14723	1.8
211.07436	1.5
213.08961	1.4
221.05801	1.7
221.11792	1.8
222.12146	1.5
239.06950	1.9
254.34973	1.4
295.10043	2.2
297.07413	2.1
299.08972	14.6
299.16263	2.0
311.08829	1.5
313.10611	8.8
317.10117	5.4
328.16061	1.5
329.10065	6.2
329.17331	7.6
329.23047	5.3
347.10983	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	526.431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	2.4
57.06734	1.9
57.07011	56.2
57.23478	0.8
63.60803	1.0
68.45264	0.9
69.06985	4.5
70.22556	0.9
71.08549	41.5
73.06466	2.2
75.83102	0.9
83.08526	1.4
85.10101	21.6
87.04386	6.5
89.05951	100.0
99.11640	1.3
107.07022	4.5
107.49260	0.9
111.11670	1.0
113.13213	1.9
133.08577	40.5
142.29298	1.1
149.58693	1.1
164.08742	1.1
171.63565	1.0
177.11150	11.6
183.21059	1.3
221.13686	1.7
239.14856	2.5
270.76199	1.0
271.26263	1.8
283.17252	1.8
321.58313	1.2
327.20038	28.3
390.94864	1.2
509.40399	23.1
526.24762	5.4
526.33337	6.1
526.42896	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	527.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77866	1.0
53.00224	1.3
53.03875	1.2
55.05442	9.2
56.04953	5.7
56.96494	1.7
57.03358	1.6
57.07018	1.4
60.04447	2.0
60.05536	1.3
67.05423	2.3
69.03351	9.7
69.06972	12.6
70.06134	2.3
70.06500	43.8
71.04887	6.3
72.07719	1.6
72.08064	26.2
74.05978	2.5
78.91889	1.2
81.03324	2.0
81.06960	10.8
81.87130	1.2
83.04876	3.2
83.05982	1.7
84.04410	8.2
84.08064	20.6
85.02813	10.0
85.06451	1.8
86.09615	26.9
88.03889	2.1
91.05391	7.4
91.29032	1.4
92.10897	2.3
92.43473	1.2
93.06953	6.7
95.04876	1.7
95.05988	1.7
95.08508	8.2
97.02784	7.8
102.05448	1.8
103.05405	2.9
105.06976	11.2
107.08496	5.0
109.10114	3.0
110.07117	17.6
111.40726	1.3
116.98540	1.9
117.06933	6.9
118.38084	1.5
119.08531	10.9
120.08054	15.8
123.11642	4.9
129.10194	11.2
131.08522	32.6
133.10062	1.7
134.99588	1.7
135.07890	1.4
136.07512	5.2
137.05940	3.2
142.07784	1.4
143.08458	1.8
145.10089	100.0
146.07288	1.5
147.07990	6.9
149.09247	1.2
153.05437	1.3
155.08478	2.6
156.09280	1.8
157.10080	6.1
159.07961	6.2
159.11649	12.7
161.01102	1.6
161.05963	1.8
167.07005	1.9
169.09909	1.6
171.11537	2.4
173.09557	6.6
173.13142	5.6
185.04332	1.3
186.02007	1.5
187.14769	37.5
197.13184	5.6
215.14255	58.3
233.15291	23.3
247.14449	1.6
348.18860	1.4
395.20670	1.5
460.52942	1.3
463.13556	1.5
527.15326	2.0
527.23633	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.313
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81696	1.7
60.34003	1.3
63.75147	1.5
72.79744	1.5
89.05950	40.4
102.80074	1.7
133.08583	14.0
190.04555	1.8
306.16058	2.6
327.19977	14.4
356.23392	2.1
406.95670	2.1
482.28214	3.6
526.41089	3.0
527.31213	100.0
527.38708	4.4
528.31482	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	527.369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00252	1.9
53.03888	11.4
54.81933	2.0
55.01808	8.5
55.05446	29.9
56.62474	1.5
57.03372	7.6
57.07019	20.0
61.02861	1.7
64.35867	1.6
65.03859	2.4
67.05427	100.0
67.05783	3.6
68.35496	1.9
69.03352	40.5
69.06987	40.2
71.01287	1.7
71.04920	8.1
71.08546	8.8
79.05408	43.9
81.03339	80.9
81.06975	99.7
83.04913	7.9
83.08543	14.6
85.02825	29.3
85.10083	2.5
87.04412	2.1
89.05955	48.5
89.06465	2.9
90.06309	1.8
91.05400	28.9
93.06969	48.9
95.04906	13.4
95.08534	81.7
97.02823	38.0
97.06452	3.9
97.10115	8.7
99.04375	9.2
99.08050	3.6
105.06960	20.3
107.04855	2.5
107.08536	24.6
109.02792	17.9
109.10112	25.9
111.04390	3.9
111.08053	2.6
117.06960	9.3
119.08530	21.3
121.06458	3.4
121.10100	22.1
123.11650	12.1
127.03877	10.6
129.07013	4.2
131.08533	14.6
133.06522	2.1
133.08577	27.7
133.10065	15.8
135.11636	8.7
143.08548	3.2
145.06429	2.2
145.10095	11.0
147.11703	8.3
149.13245	4.4
157.10114	6.6
159.11703	6.4
161.13228	10.5
163.14842	3.0
175.14841	2.6
177.11244	3.3
177.12669	2.6
177.16339	2.1
185.13260	2.1
187.14743	2.9
196.90469	2.0
245.22649	3.6
263.23636	13.6
279.23257	1.9
288.64355	1.8
291.23062	2.3
295.15118	2.0
303.23026	2.6
305.24783	2.9
317.24792	1.8
327.20105	22.0
328.20490	8.8
343.26251	7.3
353.24673	3.6
361.27258	2.1
371.25797	18.6
389.26706	26.2
407.27786	21.5
418.49338	2.0
425.29184	1.8
477.36020	2.0
510.41168	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	527.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67085	1.3
57.03378	1.3
57.07017	1.4
67.05418	2.5
67.61465	1.5
69.04449	2.4
81.06987	2.4
82.54010	1.5
89.05953	32.7
92.10346	2.2
97.11460	1.4
107.07100	1.6
109.10074	1.7
112.43302	1.8
123.83061	1.4
127.71305	1.4
133.08571	10.4
143.36263	1.7
229.14388	2.0
327.19974	8.6
328.20633	2.2
339.28979	2.6
394.83322	1.7
527.40631	100.0
528.41760	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	527.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76250	0.5
57.07013	5.7
58.16891	0.4
62.05210	0.5
70.06509	8.4
71.08528	1.3
81.06929	0.5
84.08058	1.1
85.10081	1.0
86.09608	0.6
88.07550	14.0
88.08056	1.1
90.40159	0.5
102.09107	5.2
106.08604	7.5
125.94968	0.5
153.40295	0.6
202.21623	0.9
228.23184	5.6
246.24213	100.0
247.24443	2.3
254.69638	0.5
458.28607	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46070	0.6
53.63029	0.5
55.01803	2.9
55.05436	3.5
56.04958	3.5
60.04447	2.7
62.06012	1.0
67.05413	1.5
67.64075	0.7
69.03347	1.4
69.06970	2.5
70.02853	0.7
70.06505	21.9
71.06818	0.7
72.08058	11.5
74.05979	1.6
79.05418	5.5
81.03345	1.2
81.06960	0.9
84.04426	9.0
84.08063	19.8
85.02811	3.9
86.05964	0.8
86.09608	8.9
88.03901	3.3
91.05408	11.3
93.06950	4.1
93.07878	0.8
95.04894	5.3
97.02803	1.4
98.97501	1.1
102.05502	7.0
103.05389	6.0
105.03295	0.7
105.06973	35.2
107.04891	4.8
107.08515	1.4
109.06456	1.6
110.07115	7.9
111.04397	1.4
112.08666	1.1
114.05447	1.2
115.05418	6.9
115.08585	0.9
116.07053	0.9
116.98549	1.0
117.06959	6.7
119.04906	8.0
119.08482	0.8
120.08033	3.4
121.06424	3.5
123.04397	6.6
123.08012	5.3
124.05142	1.0
125.05979	1.2
128.06157	1.3
129.06981	12.2
129.10202	11.5
130.08521	0.8
131.04878	4.3
132.05629	1.2
133.02831	10.7
133.06462	29.8
135.04341	1.3
135.08012	1.5
136.05089	1.7
136.07549	3.9
137.05959	11.5
139.03880	1.6
143.04895	1.4
143.05978	1.6
145.06464	11.6
147.04369	4.4
147.08009	5.8
147.23674	0.7
148.12584	0.8
149.05952	6.6
151.03857	4.0
151.07521	16.8
152.04655	0.9
153.05417	1.8
157.06467	7.4
160.05161	3.3
161.05942	24.8
162.06641	1.6
163.07500	6.7
165.05460	2.7
165.09119	4.2
166.06058	0.8
167.06993	89.5
173.05927	5.0
174.06660	0.8
175.06035	1.6
175.07495	40.7
176.04665	1.1
177.09055	35.5
178.06177	2.7
179.06981	50.0
181.08528	3.8
185.05927	4.4
187.07281	0.7
187.10918	1.0
189.09061	11.0
191.06966	7.3
193.08559	100.0
194.08939	1.2
196.09586	0.7
199.10837	0.8
205.08556	26.8
207.00528	0.7
207.10120	2.9
209.07928	5.7
211.09529	3.1
217.08539	1.6
225.05681	3.6
235.09584	19.6
271.40100	0.8
309.11063	3.3
312.08807	1.4
315.12045	0.7
329.13751	4.5
330.09976	5.0
339.94617	0.7
341.13745	7.0
342.16910	1.0
342.89676	0.9
353.13791	1.1
359.14783	12.2
371.14835	4.2
377.15765	5.4
389.15720	0.8
450.56064	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12016	0.4
55.01804	2.8
55.05442	0.9
56.04958	2.9
57.03381	0.5
58.99518	0.4
60.04445	2.0
62.06003	1.8
63.71075	0.4
67.05404	1.0
67.94621	0.4
69.03335	1.7
69.06971	0.5
70.06507	19.4
71.04901	0.7
71.06854	0.5
72.08068	11.2
74.02388	0.4
74.05972	2.1
78.04613	1.0
79.05416	5.9
81.03339	0.5
81.06952	0.6
82.37858	0.4
83.04912	0.6
83.05971	0.5
84.04430	9.3
84.07648	0.6
84.08061	15.0
85.02799	2.6
86.05970	0.9
86.09627	8.4
87.05495	0.6
88.03914	1.0
91.05396	9.8
93.06955	4.0
95.04902	4.2
95.05988	0.6
95.08519	1.8
97.02791	0.6
102.05485	7.6
103.05387	4.4
104.05267	0.7
104.06149	0.5
105.06974	35.8
106.04100	0.5
107.04898	5.4
107.08516	0.8
108.05685	0.5
109.02794	0.7
109.06477	3.2
110.07111	8.5
111.04366	0.9
112.08649	0.9
114.05456	1.9
115.05417	6.2
115.08642	0.8
116.07014	1.1
117.06960	5.6
118.04086	0.6
119.04919	5.5
119.08516	2.6
120.08016	2.1
121.06428	3.7
123.04381	5.5
123.08024	5.3
124.05138	1.8
125.05962	0.9
128.06186	0.9
129.06953	12.0
129.10197	8.8
130.10551	0.6
131.04904	4.1
132.05693	0.8
133.02811	7.6
133.06456	27.7
134.03540	0.8
135.04427	0.5
135.08031	1.8
136.05159	2.2
136.07526	3.0
137.05977	7.8
139.03853	1.0
140.04593	0.8
140.07011	0.6
143.04860	2.0
143.05988	1.9
145.06483	9.9
145.10094	0.4
147.04385	3.4
147.08022	4.7
148.05051	0.6
149.05968	5.4
150.06680	1.9
151.03874	1.1
151.07513	15.5
152.04662	0.7
153.05420	1.0
157.06493	5.8
160.05150	2.2
161.04614	0.9
161.05942	24.8
162.06702	2.2
163.07497	6.4
165.05440	1.1
165.09016	3.8
166.06126	0.5
167.06996	77.1
168.07336	0.9
169.09825	0.6
169.13257	0.5
171.07693	0.6
173.05952	4.6
174.06741	0.7
175.07503	36.2
177.09064	34.0
178.06219	1.9
179.06992	48.0
181.08469	3.1
183.06496	0.7
185.05931	4.8
187.07549	0.6
189.09061	10.2
191.06950	8.9
193.08557	100.0
194.08868	0.8
205.08557	27.3
207.06512	1.0
207.10066	1.9
209.06255	0.8
209.08040	6.9
211.09633	2.4
217.08604	4.4
225.05791	2.9
235.09592	23.1
236.10033	0.8
243.09747	0.9
249.05795	0.5
249.09105	1.1
253.08443	0.5
256.15970	0.4
261.09311	0.6
263.07178	0.6
265.08466	0.8
277.08417	1.0
279.10217	0.6
281.11652	2.3
283.66663	0.5
294.08560	0.7
295.09555	0.7
309.11166	2.8
310.11963	0.5
312.08838	0.8
321.11099	0.6
329.13797	3.2
330.10046	3.2
341.13812	7.6
342.16602	0.9
353.13733	1.1
359.14792	14.2
371.14664	3.7
375.29861	0.5
377.15704	2.5
394.91626	0.5
407.16907	0.7
494.05133	0.5
528.28021	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	0.5
55.01800	0.5
55.05436	0.9
56.04974	0.9
57.03373	1.9
67.05419	1.1
69.03342	3.2
69.06979	2.4
70.06506	8.8
71.04907	7.7
72.08073	4.7
74.05967	0.6
75.04369	0.5
79.05382	5.9
81.03336	8.7
81.06982	0.7
83.04916	0.8
83.08567	1.6
84.04427	3.8
84.08060	8.5
85.02815	10.3
86.09621	9.8
91.05399	8.6
91.20004	0.5
92.10329	0.7
93.06974	2.3
97.02861	1.0
99.04388	1.0
103.05367	0.9
105.06948	6.1
107.04894	3.3
107.08534	31.4
109.02822	3.3
109.06441	4.7
110.07106	3.4
111.04385	0.7
112.09351	0.6
115.05425	6.2
116.98558	0.6
117.06960	11.2
119.06040	1.2
119.08517	1.0
120.08039	9.5
121.08406	0.7
125.09598	0.6
125.13239	0.7
127.03908	0.7
129.05420	2.0
129.10153	3.9
130.06551	0.8
133.06485	0.7
135.08015	100.0
136.08394	1.8
137.05992	0.8
143.11775	3.1
149.13260	0.9
163.07495	19.5
167.14264	0.9
181.08568	22.2
181.10101	1.0
185.15305	3.1
203.16512	1.0
214.23692	0.6
263.10355	0.8
276.97415	0.6
325.12814	4.2
343.13867	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	528.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02312	1.9
53.03887	2.1
55.01799	10.1
55.05436	9.5
56.04969	5.0
57.03361	4.3
59.04918	1.9
60.04448	4.1
62.70370	2.1
65.03854	2.7
67.05420	8.5
69.03356	16.8
69.06969	10.1
70.06146	3.2
70.06510	80.5
71.04905	3.4
72.04411	10.1
72.08066	24.5
74.05968	4.6
75.04378	4.3
79.05396	12.1
81.03336	3.8
81.06971	14.8
83.06031	2.4
84.04425	21.5
84.08064	42.8
85.02831	37.8
85.06447	3.8
86.09145	3.4
86.09625	67.2
87.04392	7.4
87.05496	4.5
91.05409	60.4
92.10864	4.2
93.03336	4.4
93.06955	9.5
95.04884	7.4
95.08535	18.7
97.02818	16.7
97.06452	3.1
102.05453	4.7
103.05393	26.6
105.06976	71.7
106.04140	29.3
107.04893	12.9
107.08511	2.3
109.06473	2.4
109.10094	9.9
110.07121	18.1
115.03865	3.1
115.05418	17.3
116.07044	3.6
117.06914	3.0
118.04086	8.0
118.04949	12.3
119.04861	4.3
119.08488	2.1
120.08095	21.0
121.06456	39.8
121.69032	2.0
123.11665	4.6
125.05943	5.0
127.03892	3.6
129.10182	24.7
129.55498	2.1
131.04909	30.6
133.04906	2.7
133.06464	64.6
134.03569	5.0
135.08029	7.8
136.07533	9.6
137.05952	100.0
138.06305	9.1
139.07541	2.7
143.06036	3.9
145.04924	3.6
145.06453	2.5
147.04379	2.1
147.08017	10.4
148.05162	8.1
149.05965	44.0
151.07588	2.7
153.09067	9.8
159.07896	4.5
159.09166	2.9
161.05957	89.8
161.09589	2.4
163.03886	4.8
163.07486	30.8
167.06953	11.2
173.09566	23.9
175.07491	11.9
175.11113	30.9
176.08270	3.7
177.05412	15.7
181.08611	17.5
181.09879	2.2
191.06984	65.5
191.78244	2.4
192.07346	2.6
193.08557	44.2
201.12320	3.9
209.08089	26.4
215.14223	9.6
229.12091	2.0
229.15521	2.4
233.15285	17.7
248.66818	2.0
277.12112	7.5
295.13269	7.7
300.50867	2.1
313.14255	7.8
366.22733	20.3
481.32574	2.5
528.28088	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	528.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98280	0.9
53.03875	1.6
54.82182	1.4
55.01810	1.0
55.05447	12.1
56.04967	1.5
57.03372	13.3
57.07022	1.8
59.04934	1.5
60.04433	1.2
61.02856	1.0
63.25807	1.0
67.05432	4.7
68.04879	1.0
69.03344	5.2
69.06983	20.3
69.76324	1.1
70.06504	14.9
71.01238	0.9
71.04905	79.6
72.08065	5.0
73.02826	2.0
75.04401	5.5
76.02129	1.1
79.05402	1.9
81.03352	2.0
81.06966	8.4
83.04900	12.4
83.08540	14.7
84.04427	7.7
84.08064	10.8
85.02823	100.0
86.03136	1.1
86.09621	12.5
87.04392	2.3
88.99641	1.1
91.05401	4.4
93.06970	13.5
95.04871	1.2
95.08540	7.4
97.02827	6.5
97.06454	4.6
97.10086	4.0
99.04399	1.4
102.05496	1.3
105.06956	8.4
107.08530	14.5
109.02812	1.2
109.10107	4.4
110.07148	1.9
110.13766	1.0
111.04382	12.3
111.08002	8.5
115.05370	1.0
116.01624	4.4
117.06973	1.7
119.08521	7.0
120.08039	6.2
121.10096	6.5
123.11647	1.8
125.13208	5.0
127.03888	2.5
129.05434	20.6
129.10214	6.7
131.08533	4.4
133.10098	2.1
135.08017	1.9
136.07556	2.5
137.05971	1.9
139.89766	1.0
143.08498	2.1
144.01134	1.2
145.04939	1.8
145.10124	2.0
147.06468	9.4
147.11649	2.2
149.13214	18.1
157.10104	4.6
157.29779	1.0
159.11639	1.5
161.09622	1.3
161.13268	1.0
163.07509	1.7
164.09198	1.4
167.14268	22.1
171.11636	1.2
173.13205	5.5
175.14899	1.5
177.66481	1.2
185.15315	56.7
187.11191	1.2
203.14267	5.6
203.16382	6.4
223.14845	1.2
224.41783	1.1
224.46303	1.0
237.02904	1.0
308.05951	1.1
309.11734	2.2
331.18872	2.2
349.20065	2.0
381.18338	4.4
510.22354	1.8
551.96045	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11802	0.1
56.85563	0.1
57.03365	1.1
59.04920	0.2
59.92174	0.1
64.06242	0.1
64.77876	0.1
65.65350	0.2
66.64538	0.1
69.03349	2.7
69.06650	0.3
69.06990	4.2
70.06510	0.9
72.08064	0.9
73.02830	0.2
74.05992	0.3
75.54255	0.2
80.49052	0.2
82.09448	0.2
84.04443	0.3
84.08067	1.2
85.02827	1.9
86.09627	100.0
87.04396	1.2
87.09960	1.0
97.02800	1.8
97.25393	0.2
98.97515	1.1
102.05495	0.2
115.03889	0.9
116.98588	0.9
127.03896	0.3
128.98607	0.2
129.10236	0.3
133.04962	0.8
134.99634	0.4
143.00142	0.2
146.99606	0.3
161.01201	0.4
177.00691	0.2
188.06958	0.2
189.12308	27.1
190.12621	0.4
199.05412	0.3
213.70561	0.2
219.01678	0.4
237.02808	1.3
265.05859	2.9
283.06982	0.8
360.11761	2.6
379.09116	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2639
Annotation	Tinosinenside
Peak:m/z	Relative Intensity
54.81760	1.3
55.05436	6.6
56.04960	1.4
57.03371	4.9
60.04440	1.6
67.05408	7.6
69.03349	9.6
69.06976	6.0
70.06509	17.9
71.04900	13.0
72.08057	6.5
78.14077	1.1
79.05392	7.0
81.03322	2.0
81.06973	10.3
83.04900	2.0
83.06010	1.2
83.08531	2.6
84.04439	1.8
84.08063	12.5
85.02821	32.3
86.03156	1.2
86.09617	15.2
87.04426	1.7
91.05390	8.7
93.06975	12.8
95.08522	11.0
96.67397	1.0
97.02805	5.4
97.06433	2.0
98.09561	1.4
105.06960	16.9
107.08536	19.0
109.02826	1.7
109.06448	7.1
109.10096	8.2
110.07118	5.4
111.08013	1.6
111.59664	1.1
111.85575	1.2
117.06924	2.0
119.04939	1.4
119.08504	10.7
120.08066	9.6
121.06436	5.7
121.10067	7.2
123.08008	5.9
127.03882	1.6
129.05437	1.3
129.10170	6.2
131.08536	5.3
133.10092	24.1
135.08022	8.2
137.05925	5.5
137.09555	5.4
142.07712	1.8
143.08551	5.1
145.10092	6.1
147.07996	2.0
147.11661	2.9
149.09505	1.6
149.13237	2.8
157.10046	7.1
159.11623	9.3
161.09555	8.5
161.13202	2.8
165.09050	1.9
167.06955	2.0
167.14195	1.9
171.11511	1.8
173.13168	2.3
175.11130	2.5
175.14684	2.1
176.57704	1.6
177.12721	2.6
180.71159	1.3
182.15344	1.3
185.15237	3.1
187.14813	2.0
189.16333	1.8
199.14764	6.8
217.15852	15.6
217.21371	1.4
235.16872	100.0
236.17163	2.2
397.21774	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	529.3504
Annotation	Sapelin E acetate
Peak:m/z	Relative Intensity
55.05446	3.7
56.86757	2.1
57.07004	5.5
67.05419	12.5
69.03339	3.3
69.07006	4.1
71.08543	2.9
79.05399	4.4
79.82002	2.2
80.09476	2.1
81.03362	3.8
81.06977	4.9
89.05946	12.7
93.06976	3.9
95.08518	5.1
102.38762	2.4
109.10117	4.3
133.08623	2.5
135.11671	2.2
166.80586	2.3
195.09918	2.8
256.26318	3.6
322.24069	2.6
424.32205	2.6
529.34857	100.0
530.34692	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	529.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	13.6
55.01792	3.2
55.05449	44.3
56.02240	1.5
57.03366	7.3
57.06760	1.9
57.07011	24.2
62.99942	2.9
65.80751	1.7
67.05424	61.3
69.02966	1.9
69.03347	53.7
69.06986	63.1
70.06512	3.9
71.04907	9.0
71.08545	12.8
73.02831	2.9
79.05401	29.2
81.03336	100.0
81.06974	61.3
83.04894	2.7
83.08535	41.4
85.02825	23.9
88.07551	4.3
89.05936	1.9
91.05383	12.7
93.06963	35.8
95.04893	6.9
95.08528	53.9
97.02222	3.0
97.02817	50.3
97.06468	6.8
97.10100	25.9
99.04359	8.9
105.06946	14.9
107.04852	2.3
107.08528	20.1
109.02821	29.5
109.10103	25.9
111.04419	2.9
111.07997	7.3
111.11668	8.1
117.06944	2.6
119.08533	10.8
121.10091	33.9
123.04389	3.8
123.11641	8.8
127.03867	26.2
131.08498	7.9
133.06490	1.9
133.10045	5.6
135.08023	2.1
135.11655	23.0
145.04921	3.8
145.10109	4.3
147.11644	1.9
149.13226	8.6
165.16362	3.0
173.09773	1.7
177.16312	2.5
185.73534	1.7
191.17844	1.9
210.55722	2.0
215.24930	1.8
247.24135	3.1
256.26251	34.4
265.25171	17.3
289.25208	1.8
307.26126	2.7
319.26276	3.0
323.25629	2.5
331.26102	2.4
345.27707	2.9
355.26270	7.0
373.27316	30.1
374.27573	2.3
391.28354	32.4
409.29370	42.2
410.29459	2.3
427.30362	6.2
482.94839	1.9
529.35895	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	530.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	1.9
55.05452	5.7
56.04944	1.2
56.96526	1.2
57.03374	2.2
60.71606	1.1
65.03833	1.5
67.05424	24.0
69.03333	7.2
69.06975	1.9
70.06507	19.0
72.08067	6.8
73.40082	1.3
74.05995	1.7
79.05367	1.3
81.03326	16.2
81.06973	12.8
84.04436	2.5
84.08064	13.0
85.02831	5.3
86.09613	13.5
91.05391	3.2
93.06956	5.0
95.04880	5.8
95.08521	7.9
97.02818	2.5
102.05415	1.7
104.53938	1.2
105.06970	2.4
106.67645	1.3
107.08520	5.5
109.02813	11.4
109.06424	2.3
109.10098	55.9
110.07072	2.1
117.06938	1.4
119.08528	7.5
120.08039	6.3
124.59057	1.3
125.05942	2.1
127.03897	5.0
129.10223	3.2
135.08031	3.3
135.60643	1.3
137.05937	2.8
137.09584	100.0
138.10028	1.6
151.03926	1.5
155.10638	5.6
159.11757	1.2
163.07582	1.9
165.09076	50.1
167.06979	1.4
181.08430	1.6
183.10139	5.0
201.11198	6.6
223.95995	1.4
237.18427	1.6
264.86920	1.6
291.12134	2.3
309.13199	27.4
327.14249	9.1
333.20483	1.8
433.12558	1.3
520.36646	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29263	1.3
54.81461	1.4
55.01816	2.2
55.05455	13.6
56.04958	6.5
57.03371	3.3
60.04448	3.9
61.02856	1.7
67.05430	3.1
69.03355	12.2
69.06981	9.3
70.02879	1.9
70.06508	67.3
71.04906	6.5
71.06827	2.5
72.08071	33.0
74.05973	6.2
79.05403	7.6
81.03336	3.3
81.06989	9.0
83.04882	3.3
83.06017	2.0
83.08553	2.3
84.04424	20.9
84.07596	2.3
84.08067	42.6
85.02823	23.5
85.06465	1.8
86.09632	60.1
87.04412	2.1
87.05523	1.8
87.09960	3.3
88.03903	2.6
91.05409	12.4
91.05888	1.4
93.06982	19.5
95.04887	9.3
95.08533	8.9
97.02835	5.5
97.06448	2.0
97.10098	6.6
99.04417	1.8
100.68941	1.5
102.05497	7.2
105.06959	18.7
107.04944	2.0
107.08542	12.7
109.02824	7.0
109.06449	6.4
109.10094	2.8
110.07130	18.4
111.08012	5.8
113.05906	2.8
116.07034	3.5
117.02757	1.5
117.06953	3.6
119.08573	14.2
120.08087	10.8
121.06441	15.1
121.10103	9.1
123.07994	3.8
125.09577	3.7
127.03913	2.4
127.08659	1.6
129.06908	2.7
129.10179	21.6
130.04909	1.6
130.10487	1.8
131.05011	1.4
131.08516	20.6
133.10098	6.1
135.08018	8.9
136.07547	8.8
137.05954	6.2
137.09624	2.9
141.06873	1.7
142.07755	2.5
143.08565	17.2
145.06308	2.7
145.10103	20.8
147.01285	1.5
147.07996	9.3
149.09595	3.3
155.08504	12.1
155.11790	1.7
157.10126	14.4
159.08014	2.7
159.11653	12.2
161.09595	12.1
161.13356	2.0
163.07416	2.1
167.08485	3.7
169.10091	12.6
171.07979	2.2
171.11559	14.6
173.09586	6.3
173.13121	7.1
175.07393	2.0
175.11137	7.5
177.00783	2.1
179.08609	1.9
181.10081	8.0
182.10913	2.5
183.11626	10.2
185.09450	2.9
185.13232	8.0
187.10939	8.3
187.14696	2.7
189.11140	5.7
189.12708	5.8
193.10034	1.7
195.11649	7.6
196.12341	1.8
197.13153	8.6
199.07080	1.9
199.11046	2.9
199.14841	3.2
201.12592	6.5
203.14243	1.8
207.11705	1.8
209.13272	7.0
211.10944	1.7
211.14752	2.8
213.12637	3.1
213.16312	2.5
215.14166	10.3
220.89548	1.6
225.12604	2.3
225.16240	3.0
227.10469	1.6
227.14331	2.6
235.93919	1.5
237.09195	1.6
237.16417	1.7
239.14273	3.6
241.19279	2.1
243.13742	13.2
243.17293	3.7
251.17786	2.7
253.15858	2.1
257.15158	4.6
261.14734	27.9
269.18936	3.6
271.16696	2.9
273.18167	1.6
279.17450	2.7
285.14841	2.8
287.20255	1.8
297.18381	13.7
303.15866	2.1
315.19482	22.5
327.92297	1.6
333.20505	17.1
351.21561	100.0
352.21912	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	530.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
63.54822	0.7
65.93746	0.8
70.43110	0.8
71.87084	0.7
74.93281	0.8
81.03095	0.9
84.81487	0.8
118.02579	0.9
124.26316	0.8
144.22804	1.1
148.90733	0.9
201.01984	0.8
209.00987	0.9
256.26355	1.3
270.68677	1.0
280.38754	0.9
503.29651	8.1
530.30750	100.0
531.31189	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	530.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09460	1.7
55.01804	3.1
55.05439	4.6
57.03358	4.6
57.07016	20.2
65.04716	1.8
67.05415	2.4
69.03342	8.9
69.06976	9.5
79.05393	10.5
81.06959	9.5
83.04888	3.5
85.02824	4.4
85.06467	17.2
91.05399	35.3
93.06955	3.3
105.06946	10.8
109.06444	3.7
111.08009	12.0
127.07482	9.4
133.10089	100.0
147.07950	4.7
148.59628	2.6
149.09595	35.4
153.09065	12.1
171.10117	11.2
189.11224	16.9
256.26324	3.2
304.11749	2.7
337.19870	4.4
381.47601	2.5
485.28729	5.0
530.33929	5.4
531.38733	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	531.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	2.2
56.04975	1.9
59.43712	0.8
60.04455	1.2
61.01080	0.9
61.47247	0.8
69.06976	3.4
70.06509	25.8
71.04895	1.1
72.08073	11.3
73.08408	0.8
74.05990	1.7
79.28039	0.9
81.07001	1.4
83.04914	1.0
84.04430	7.6
84.08063	15.1
85.02823	4.3
86.09621	17.3
91.05412	2.2
93.06957	1.1
95.01907	1.0
95.04919	1.4
98.97510	1.3
102.05479	1.9
103.05436	1.1
105.06994	3.5
107.08556	1.1
110.07119	5.8
115.08661	1.1
116.07037	1.2
119.01855	11.1
119.08542	1.6
120.08054	8.3
123.07969	1.0
126.97917	1.1
129.10211	5.8
130.04968	1.1
131.08543	1.3
136.07520	2.0
137.02904	4.0
137.05972	1.9
145.03476	0.9
155.11838	0.9
167.07007	1.7
171.11453	0.9
187.04503	2.0
197.13803	1.1
223.11760	2.2
241.12791	9.0
259.13934	5.8
283.13770	6.8
315.19470	0.9
341.19339	3.9
349.11072	1.0
385.17953	15.8
487.25037	10.7
513.11798	2.1
531.23956	100.0
532.23926	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	531.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15799	0.1
52.61256	0.2
53.03881	0.2
55.01842	0.2
55.05444	0.8
57.03365	0.3
60.88021	0.2
65.03848	0.3
66.12774	0.2
69.03343	2.7
79.05404	1.1
81.03334	0.8
83.04902	2.4
83.71204	0.2
85.02812	1.6
91.05403	8.3
93.06989	0.7
93.85069	0.2
95.04881	0.3
98.80270	0.2
99.04359	0.3
103.05393	0.9
103.87329	0.2
104.06194	0.9
105.06964	1.6
107.08523	2.8
109.06523	0.2
111.04404	1.0
115.05405	0.3
117.06964	2.5
119.08533	100.0
120.08863	2.0
123.08000	0.3
133.06458	9.8
133.07487	0.5
133.10023	0.2
135.08000	1.4
148.97005	0.2
156.09277	0.2
157.10104	0.4
166.53233	0.2
199.11079	0.2
235.14726	0.3
263.12616	1.5
411.18097	0.2
531.27045	0.4
547.64587	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	1.1
65.03848	0.4
67.05434	0.3
69.03349	2.6
69.06978	0.2
70.06508	0.4
79.05394	1.1
81.03320	0.4
83.04897	2.9
85.02815	1.0
86.09592	0.2
91.05402	9.3
93.06951	1.0
95.04881	0.5
95.09602	0.2
99.04385	0.3
99.58893	0.2
100.07570	0.3
103.05396	0.9
104.06171	0.9
104.09889	0.2
105.06966	2.1
107.08535	3.2
109.06464	0.4
111.04394	1.1
116.07018	0.4
116.08197	0.3
117.06961	2.9
117.10242	0.2
119.08530	100.0
120.08858	2.4
121.27274	0.2
123.08021	0.9
129.05412	0.3
133.06461	9.5
133.07472	0.5
135.07965	1.4
142.07709	0.3
145.10085	0.4
147.08043	0.3
151.18909	0.2
157.10144	0.3
161.09566	0.4
184.04485	0.2
263.12775	1.1
271.43869	0.2
284.75806	0.2
486.28159	0.3
531.27826	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.308
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13558	1.1
55.05451	1.3
62.20540	1.3
66.05990	1.3
72.28175	1.3
72.71009	1.4
91.05415	1.5
92.98504	1.6
119.08533	34.7
133.06490	6.1
142.44463	1.4
210.37015	1.5
258.60840	1.3
445.23468	37.7
531.30792	100.0
531.39148	16.0
532.31323	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	531.3652
Annotation	Cordianol F
Peak:m/z	Relative Intensity
50.44537	1.0
50.49133	0.9
53.38268	0.9
56.07316	1.2
63.96432	1.1
67.05405	7.0
70.65385	1.1
71.41899	1.2
74.09635	1.3
74.26522	1.3
79.44357	1.2
79.56536	1.1
80.21471	1.1
81.06955	2.0
92.10233	2.5
95.08533	1.3
102.91997	1.2
109.10087	2.3
123.82391	1.4
124.61982	1.3
137.79892	1.5
164.26845	1.2
195.09843	5.1
229.81165	1.4
251.12457	2.0
363.97705	1.2
434.53622	1.5
489.92731	1.4
522.69183	1.4
531.36444	100.0
532.37299	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05440	18.6
56.96502	4.6
57.07001	6.4
60.56093	2.5
62.55288	2.2
67.05419	26.1
69.06987	28.4
79.05396	18.2
81.06969	56.5
83.04913	3.3
83.08542	13.1
84.08042	2.7
86.09624	3.5
91.05398	20.3
93.06972	46.2
95.04885	4.6
95.08527	70.9
97.10139	4.3
105.06968	69.2
107.08539	85.5
109.06427	4.1
109.10110	61.4
111.08005	5.2
117.06926	5.9
119.08539	95.7
121.06455	9.9
121.10094	64.5
123.11643	19.2
131.08542	48.6
133.10092	94.5
135.11649	40.6
137.09579	3.2
137.13199	5.9
139.96649	2.4
143.08537	14.9
145.10086	87.1
147.11661	64.7
149.01198	6.1
149.13263	22.0
151.11148	3.3
155.08525	3.7
157.10089	20.5
159.11650	62.3
161.13229	45.5
163.07521	3.2
163.11163	45.4
163.14827	24.4
169.10086	3.5
171.11665	12.4
173.13242	31.1
175.14749	32.9
177.16318	12.5
179.14201	3.3
183.11650	6.3
185.13184	22.8
187.14787	57.2
189.16344	100.0
191.14250	4.1
191.17912	6.2
195.09137	3.0
197.13245	5.0
199.14778	21.8
201.16325	64.4
203.14223	5.1
203.17938	31.6
204.11273	2.6
205.15807	29.1
207.17419	5.6
211.14819	4.5
213.11346	6.0
213.16368	12.2
215.17963	9.8
217.15826	14.0
219.17398	23.7
227.17905	4.8
229.19545	3.9
243.17422	2.9
272.78299	3.1
275.24106	2.6
277.42664	3.0
389.31827	3.9
407.32974	41.7
425.33600	14.0
433.10019	2.9
435.32285	11.9
453.27890	4.0
453.33557	61.4
471.34445	16.0
489.82275	3.9
490.32376	3.5
495.34509	6.7
513.35449	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	532.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92064	2.1
53.71764	1.6
57.66805	1.9
76.56773	2.7
92.10893	3.0
93.47532	1.9
141.28905	1.9
142.99783	2.2
218.44308	2.2
505.31946	3.3
531.38507	26.2
532.32251	100.0
532.39117	19.7
533.32892	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	533.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83539	1.3
58.91884	1.5
72.08049	1.9
75.86716	1.7
84.04432	3.8
84.08057	2.5
85.02823	9.2
86.09651	1.7
91.03825	2.0
92.10354	2.0
97.02810	3.5
102.05457	2.0
120.08075	8.3
121.57240	2.0
127.03883	2.4
130.05008	2.1
177.00699	1.8
238.03236	1.7
240.58574	1.8
286.06818	100.0
287.07159	1.9
310.05399	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	533.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52277	1.4
55.05437	2.8
56.04964	1.7
60.04446	3.0
67.05416	1.9
69.03345	5.7
69.06973	9.3
70.06509	42.1
70.06883	2.1
71.04916	2.4
72.08063	20.7
74.05996	2.5
78.94292	1.5
79.05413	1.9
81.03365	1.7
81.06965	9.1
83.04909	1.9
83.08514	1.9
84.04432	12.9
84.08060	29.9
85.02838	10.5
86.09621	22.0
91.05397	6.3
93.06951	10.8
95.04868	1.8
95.08538	3.3
97.02812	2.5
101.07078	1.4
102.05476	2.1
105.06941	6.2
107.04855	2.6
107.08522	12.3
109.06470	2.9
109.10084	7.0
110.07120	11.9
111.08011	1.6
117.05337	1.4
119.08508	4.9
120.08054	10.5
121.06448	5.5
121.10091	7.8
122.07245	2.2
123.08009	1.4
129.09358	1.4
129.10172	13.7
131.08557	3.2
133.10088	42.9
135.08031	13.3
135.11597	2.0
136.07558	5.4
137.09590	33.0
143.11772	1.7
145.10081	2.3
147.11668	7.2
149.09586	3.2
149.13246	5.7
157.34660	1.3
163.14793	2.2
173.13167	3.5
174.37769	1.6
179.52744	1.6
191.14244	25.0
191.15683	2.0
205.04665	28.2
209.15279	11.4
218.05435	11.2
232.06989	19.1
245.07704	1.9
287.05597	2.0
293.09927	28.1
296.19077	1.6
299.19922	1.8
307.11493	27.9
335.22110	3.1
435.41013	1.5
533.19727	100.0
533.25861	3.7
534.19849	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	533.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52277	1.4
55.05437	2.8
56.04964	1.7
60.04446	3.0
67.05416	1.9
69.03345	5.7
69.06973	9.3
70.06509	42.1
70.06883	2.1
71.04916	2.4
72.08063	20.7
74.05996	2.5
78.94292	1.5
79.05413	1.9
81.03365	1.7
81.06965	9.1
83.04909	1.9
83.08514	1.9
84.04432	12.9
84.08060	29.9
85.02838	10.5
86.09621	22.0
91.05397	6.3
93.06951	10.8
95.04868	1.8
95.08538	3.3
97.02812	2.5
101.07078	1.4
102.05476	2.1
105.06941	6.2
107.04855	2.6
107.08522	12.3
109.06470	2.9
109.10084	7.0
110.07120	11.9
111.08011	1.6
117.05337	1.4
119.08508	4.9
120.08054	10.5
121.06448	5.5
121.10091	7.8
122.07245	2.2
123.08009	1.4
129.09358	1.4
129.10172	13.7
131.08557	3.2
133.10088	42.9
135.08031	13.3
135.11597	2.0
136.07558	5.4
137.09590	33.0
143.11772	1.7
145.10081	2.3
147.11668	7.2
149.09586	3.2
149.13246	5.7
157.34660	1.3
163.14793	2.2
173.13167	3.5
174.37769	1.6
179.52744	1.6
191.14244	25.0
191.15683	2.0
205.04665	28.2
209.15279	11.4
218.05435	11.2
232.06989	19.1
245.07704	1.9
287.05597	2.0
293.09927	28.1
296.19077	1.6
299.19922	1.8
307.11493	27.9
335.22110	3.1
435.41013	1.5
533.19727	100.0
533.25861	3.7
534.19849	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	533.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00844	0.5
51.49488	0.5
55.01804	0.9
55.05432	1.3
56.04963	2.7
57.03356	1.1
59.42340	0.6
60.04445	1.0
67.05430	0.8
69.03329	4.6
69.06960	1.1
70.06503	21.1
71.04893	0.7
72.08065	9.0
73.25147	0.6
74.05984	1.4
76.02110	1.0
78.04599	2.4
79.05401	10.3
81.03316	0.7
81.06951	3.3
82.03699	0.6
83.04906	0.6
84.04415	7.5
84.08058	14.3
85.02825	6.2
85.06447	0.8
86.09615	14.9
87.05528	0.8
87.09940	0.7
91.05376	6.8
93.06950	1.3
95.04874	3.6
95.08514	1.2
97.02820	1.5
102.05484	1.5
103.05402	5.6
105.06966	11.8
106.04080	1.4
107.04899	13.7
107.08513	1.5
109.06461	1.1
109.10111	0.8
109.61121	0.7
110.07098	5.3
111.04443	0.8
115.05423	4.8
115.62946	0.7
116.06998	1.0
117.06946	1.6
118.04091	1.1
119.04904	1.0
119.08520	4.4
120.08057	4.6
121.06420	1.5
121.10101	1.3
123.04368	9.1
123.08083	0.9
124.05135	3.9
125.05893	1.4
128.06151	4.0
129.06958	10.2
129.10190	5.1
131.04861	4.6
131.08447	0.8
132.05652	3.1
133.06445	7.1
133.10054	2.8
136.07529	2.6
137.05930	3.5
137.09564	0.9
141.06940	1.0
143.11708	0.8
144.05646	1.5
145.06424	4.6
145.10066	1.5
147.08022	4.1
147.11752	0.7
148.05124	1.0
149.05945	0.8
149.09529	1.3
151.03879	1.4
151.11073	1.0
152.04616	1.3
153.05382	0.9
155.04834	1.0
156.05626	1.2
157.06337	0.9
159.07993	10.8
160.05135	1.2
161.05927	9.7
167.06990	100.0
168.05682	0.9
168.07262	0.9
169.06451	0.8
171.08003	1.0
172.05138	4.3
173.05826	0.7
175.07498	18.5
176.04633	1.3
177.05443	1.3
178.07701	1.1
179.06981	0.9
184.05157	1.0
187.07492	22.9
190.07713	2.6
191.07001	5.5
191.08481	0.9
191.14072	1.1
193.10094	0.8
195.08257	0.7
199.07506	8.1
200.13904	0.7
202.07738	1.1
203.08516	3.6
205.06416	0.9
205.10141	0.8
206.07176	3.4
207.07808	0.8
215.08533	1.4
217.06453	1.3
217.08434	0.8
218.07216	3.9
219.08003	3.3
220.08647	1.1
221.09674	4.9
231.08022	3.9
232.08807	1.2
233.05798	0.8
233.09592	3.1
234.06717	3.4
235.07436	1.5
245.05893	1.3
246.06590	1.2
247.07442	1.0
248.08206	1.3
249.09077	5.9
250.06239	0.7
250.09691	1.4
251.06923	1.6
260.08237	0.8
261.09012	4.3
262.09738	0.7
263.06989	2.4
265.08521	1.0
266.09250	1.5
274.06039	1.2
275.06992	0.8
277.08472	3.9
278.09271	2.5
279.06473	1.0
281.11758	8.6
285.07523	4.2
289.08459	4.3
291.10257	0.9
293.11578	2.6
294.08850	2.5
295.09613	1.4
299.20041	0.8
309.11179	7.9
310.11658	0.9
317.21069	1.1
321.11108	6.3
322.11902	1.0
326.11356	1.6
341.13760	24.9
342.13824	0.9
353.13696	8.2
353.22757	1.0
416.43457	0.8
473.62289	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10194	1.1
53.03883	2.7
53.84060	1.1
55.01820	2.6
55.05449	9.5
55.41612	1.2
56.04956	5.3
56.96497	11.5
57.03371	5.4
57.68758	1.2
58.26210	1.4
60.04450	1.8
61.02858	1.8
67.05437	2.1
69.03339	18.6
69.06984	3.0
70.06512	43.7
71.04898	6.4
71.59715	1.3
71.95184	1.7
72.08065	25.3
73.02825	2.7
73.56890	1.5
74.06001	2.0
78.04630	2.6
79.05415	14.9
81.03342	3.7
81.06968	10.4
83.04887	1.9
84.04431	13.9
84.08062	30.7
85.02820	27.0
86.09619	35.0
86.76658	1.4
88.03893	1.9
88.73714	1.4
91.05401	18.8
93.06963	11.7
95.04893	9.0
95.08517	12.7
97.02811	10.0
97.06458	2.2
97.10095	2.0
98.27698	1.5
98.97510	17.4
103.05403	6.9
105.06969	26.6
107.04894	17.7
107.08532	8.0
109.02802	2.9
109.06469	2.3
109.10101	2.4
110.07082	10.1
115.05373	6.6
115.08646	2.3
116.01635	1.6
116.98564	12.6
117.06963	6.6
119.04845	1.8
119.08529	21.1
120.08049	16.2
121.06466	2.6
121.10114	5.5
123.04388	9.6
124.05189	3.3
125.05975	2.1
127.03876	2.6
128.06197	3.1
129.06958	10.8
129.10202	12.2
130.06490	2.6
131.04883	7.9
131.08543	3.0
132.05649	7.6
132.08070	2.6
133.06464	12.9
133.10086	6.8
134.99597	11.9
135.08018	2.0
135.11659	2.8
136.07570	6.2
137.05930	6.6
143.00121	3.6
143.08554	2.2
145.04967	1.7
145.06360	1.6
147.04356	2.0
147.08031	7.0
147.11665	1.7
149.05922	1.7
151.03932	1.7
152.04695	2.7
159.07985	8.3
159.09180	5.2
160.05164	2.2
161.01160	11.0
161.05945	9.7
161.13237	1.9
163.14813	1.7
165.27156	1.5
167.06992	100.0
169.06482	1.7
173.01147	1.9
173.09502	1.5
175.07504	39.5
177.00711	6.2
179.02174	2.0
181.08580	2.2
186.12672	2.2
187.07408	14.6
189.00676	7.4
190.07735	2.3
191.06984	6.9
191.14322	7.0
193.08566	15.8
199.07436	10.8
201.00722	9.3
201.08914	1.8
201.12241	2.2
202.07718	3.3
203.08488	5.2
209.15309	10.4
215.08546	3.1
217.08382	1.9
218.07262	3.0
219.01680	11.8
219.08101	2.8
221.09453	2.6
231.08028	2.4
232.08823	2.1
233.09578	2.3
234.06897	4.1
235.07504	6.4
237.02718	3.0
239.09467	7.5
241.13132	1.9
245.06209	2.4
246.06735	2.4
247.07434	1.9
249.02740	11.7
249.09003	8.8
257.10541	26.0
258.15948	3.1
261.09079	5.8
263.06915	2.5
266.09180	1.7
267.03815	8.1
275.11441	1.8
277.08511	2.9
278.09204	2.8
281.11588	9.1
289.08527	3.3
290.09207	1.9
291.03842	2.1
291.10046	1.9
294.08823	2.0
298.26093	1.6
299.11673	2.4
299.19791	1.9
306.08652	2.4
307.09158	1.6
309.11130	6.1
317.20685	1.7
321.10773	10.3
322.11838	2.0
341.13730	19.3
353.13556	13.3
413.15045	3.1
532.24646	5.7
533.18701	44.5
534.19202	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	533.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06289	7.0
60.69162	7.5
64.86380	6.8
67.05418	9.8
68.94952	5.8
69.06966	6.7
72.87582	6.6
81.33291	8.3
85.66982	7.7
91.05457	6.3
104.28969	6.9
213.00406	31.4
281.02744	8.9
297.37515	7.0
317.82776	7.7
356.32275	7.1
399.17841	43.0
464.29388	8.2
473.21594	100.0
532.29596	9.8
533.28943	17.3
533.37793	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	533.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	1.8
57.06998	1.5
59.14788	1.1
61.29961	1.0
61.60426	1.0
69.06995	5.3
81.06977	1.9
85.25623	1.3
95.08547	2.1
97.10098	1.3
99.48154	1.3
109.10105	1.6
117.67989	1.2
121.10079	1.3
135.11664	1.4
195.09929	6.8
459.78360	1.5
515.41370	1.3
533.38043	100.0
534.38428	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	534.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84400	0.3
55.05439	1.5
56.04975	3.4
57.03347	0.4
59.53923	0.3
60.04208	0.3
60.04451	5.3
61.01089	0.3
61.02835	0.4
67.58492	0.2
69.03332	1.7
69.06973	0.3
70.02857	0.5
70.06505	22.8
71.04888	0.4
71.06827	0.3
72.08064	7.8
74.06000	2.2
79.05396	0.5
80.23929	0.3
82.82938	0.3
83.06022	1.6
84.03938	0.4
84.04420	8.7
84.08059	14.9
85.02822	3.7
85.04773	0.4
85.08383	0.4
86.09618	9.5
87.04379	0.4
87.05478	0.3
87.09973	0.5
88.03897	1.9
91.05392	1.7
95.04858	0.3
95.05970	0.4
95.08456	0.4
97.02809	1.3
98.05986	0.3
101.07072	1.4
102.05479	2.5
103.05388	1.6
105.06949	0.7
106.07262	0.3
107.04891	0.6
109.02848	0.4
110.07104	9.0
111.07412	0.3
112.07524	0.3
112.08650	0.5
115.03825	0.4
115.08627	0.6
115.19339	0.3
119.08533	0.3
120.08052	3.9
123.07991	0.3
127.08623	0.5
129.06554	0.6
129.10187	7.7
130.04929	0.7
130.08554	0.5
131.04865	2.6
132.05185	0.6
132.10129	0.5
133.06438	0.3
134.03622	0.4
135.04399	3.0
136.07547	0.5
137.05960	2.6
137.93362	0.3
138.06329	0.5
139.08617	0.5
140.07013	1.6
141.10184	0.5
143.11732	0.4
145.06418	0.7
147.11293	0.4
149.21986	0.3
155.08221	0.3
157.09833	0.3
159.07607	0.5
161.05864	0.5
162.03079	4.8
163.03873	5.0
163.07486	0.6
166.59315	0.3
177.05446	0.5
177.12654	0.4
179.03354	1.8
187.07079	0.5
187.10815	0.3
190.02556	15.8
193.01295	0.4
193.04877	0.5
194.02010	0.3
205.04893	2.1
206.05112	0.4
207.02788	4.7
208.03606	15.9
213.36279	0.4
223.05952	100.0
224.06235	2.0
233.14952	0.3
235.07307	0.4
240.17865	0.3
250.05829	0.3
260.19595	0.6
265.08325	0.3
267.10364	0.3
278.05573	1.1
279.06039	0.6
281.16867	0.3
284.12228	0.7
293.07916	0.6
294.08527	0.6
310.07764	0.4
321.07538	1.5
322.07809	1.7
323.08920	0.5
324.09286	1.0
341.10153	0.7
345.83044	0.3
353.10150	0.5
355.11618	1.7
356.12000	1.6
399.31262	0.3
534.81061	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00247	1.5
55.01800	1.3
55.05446	2.1
57.03371	15.8
59.04927	5.8
61.46272	0.8
64.19230	0.8
67.05419	1.6
69.03348	54.4
69.06961	1.2
69.81440	0.8
70.06500	4.1
71.04906	1.6
72.08079	1.4
75.04379	5.2
79.05400	5.5
81.03347	1.1
81.06971	5.2
84.04431	6.0
84.08053	2.1
85.02824	38.8
86.09625	4.0
86.49133	0.8
87.04394	31.0
91.05392	1.9
92.10889	1.2
93.07005	3.2
95.04874	0.9
95.08526	1.6
97.02824	35.7
99.04366	0.9
103.05402	1.9
104.06177	3.9
105.06973	41.5
106.07291	1.1
107.08521	3.9
109.02811	1.0
109.06471	1.2
109.10101	2.1
111.04340	1.1
114.19514	0.8
115.03879	24.9
116.98608	1.0
117.06993	0.9
119.08539	2.1
121.10076	1.8
124.05200	1.0
127.03799	1.4
129.06941	1.7
130.04941	1.6
131.04872	1.6
132.05701	2.1
133.04950	21.2
133.06453	50.5
133.10091	1.4
135.04451	1.0
135.08067	1.4
137.05959	35.9
137.09544	0.9
139.63136	0.9
145.04903	1.3
145.10080	2.1
149.05899	1.1
150.06728	81.6
150.59535	1.0
161.09595	1.4
163.07486	1.1
165.09076	100.0
166.09406	1.1
177.09024	1.6
183.10057	1.0
189.09023	1.2
193.04979	1.9
213.96455	1.0
223.11067	1.6
223.13232	40.8
224.13689	1.2
301.21625	2.1
319.22751	1.5
385.43433	1.0
398.47455	1.0
481.54837	1.3
558.09167	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94978	4.0
51.54422	3.8
54.92567	3.5
55.05441	23.5
56.96498	5.2
57.03362	7.1
57.07004	5.5
67.05428	37.1
69.03339	24.7
69.06976	21.3
70.06496	26.0
71.04907	44.3
72.08068	7.0
79.05397	26.0
81.06985	76.8
83.04893	10.2
84.04421	7.0
84.08049	22.0
85.02829	36.9
85.67154	3.8
86.09639	21.3
87.04382	5.9
91.05411	48.3
93.06976	72.2
95.04891	7.7
95.08534	69.8
97.02795	18.0
97.06462	9.0
97.10066	10.1
105.06974	84.3
107.04893	7.8
107.08552	98.3
109.06467	8.7
109.10114	68.2
110.07063	6.8
110.36288	4.4
117.06918	7.4
119.08525	62.7
120.08050	9.0
121.06503	14.9
121.10088	57.8
123.07961	16.7
123.11658	10.3
125.09559	26.6
129.10144	5.8
131.08536	34.5
133.04965	6.3
133.10103	100.0
135.08018	22.7
135.11636	28.1
137.05963	9.1
137.09578	10.1
143.08563	6.8
143.10640	6.9
145.04860	4.9
145.10100	59.9
147.08035	6.2
147.11674	40.0
149.09619	9.3
149.13278	5.6
151.11133	17.9
157.10118	7.0
159.11678	48.3
161.09605	16.2
161.13205	17.0
163.11153	6.3
166.51213	5.6
169.10057	6.6
171.11595	5.6
173.13179	29.0
175.14758	8.6
187.14743	10.8
191.14281	23.3
191.17992	6.1
193.04980	6.9
193.15909	6.1
197.13188	9.1
201.16335	24.2
205.15871	6.1
213.16319	6.1
215.14233	6.1
219.17395	9.8
248.62370	4.4
255.21118	5.6
273.22058	9.9
283.20416	6.0
301.21521	73.6
319.22623	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36025	0.9
62.65594	1.2
68.05693	0.9
88.07516	1.1
89.78889	1.1
110.93105	1.3
128.75137	1.1
144.24431	1.1
148.19771	1.0
219.17490	2.4
235.76532	1.2
240.91417	1.1
256.26205	1.8
258.76224	1.2
408.44330	1.4
454.48676	1.2
507.32993	7.0
534.33948	100.0
535.34161	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	535.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00216	0.3
53.03882	1.4
55.01803	0.6
55.05451	4.9
56.04979	1.9
57.03363	1.4
57.07002	0.6
59.04927	1.3
60.04445	0.5
61.02831	0.2
65.03864	5.8
67.05427	8.8
68.04961	0.4
69.03352	6.8
69.06646	0.4
69.06988	6.5
70.06509	23.6
71.04895	2.2
71.08557	0.4
72.08080	3.9
73.02818	0.5
74.05984	2.1
79.05399	1.9
79.31115	0.3
81.03339	6.3
81.06510	0.3
81.06975	7.7
82.04116	2.1
83.04902	4.8
83.06006	0.6
83.08536	3.6
84.04423	3.4
84.08071	4.0
85.02828	9.2
85.06448	1.4
86.09627	8.8
87.04355	0.4
87.09957	0.3
89.05929	0.5
91.05403	2.5
93.03334	0.7
93.06976	4.5
95.04905	4.7
95.08533	13.4
96.08051	0.4
97.02831	3.4
97.06449	2.3
97.10088	0.7
99.04378	1.4
99.08014	1.6
102.05482	1.6
103.05371	0.7
105.06980	2.7
107.04878	0.5
107.07859	0.5
107.08530	8.4
108.02029	0.6
109.02804	1.7
109.06457	3.9
109.10106	35.6
110.03620	3.7
110.07119	6.3
111.04396	2.0
111.08031	1.8
112.08661	0.4
113.07061	0.4
113.09584	0.7
115.05422	0.3
115.08637	0.4
115.88251	0.3
116.98593	0.3
117.06912	0.3
119.04902	0.5
119.08537	10.7
120.06522	1.2
120.08046	5.1
121.10078	4.9
123.04371	1.4
123.08025	5.6
123.11660	3.3
125.05932	1.6
125.07057	3.2
125.09555	0.5
127.03866	0.4
127.08598	0.4
129.10225	2.3
131.04828	0.3
133.02824	7.4
133.10100	7.3
134.05957	0.4
134.99654	0.4
135.06757	0.6
135.11659	25.1
136.07541	1.7
136.08577	0.3
137.05956	2.9
137.09584	6.8
138.03062	1.8
139.11198	0.5
140.04662	8.0
142.02541	2.3
147.11674	0.6
149.05988	0.4
149.09615	0.4
149.13237	2.2
150.06621	0.4
151.11160	4.2
151.14806	4.8
153.05450	0.6
153.12729	0.7
155.07022	2.9
155.08194	0.5
161.05945	0.3
162.09116	0.4
165.05438	1.8
165.16286	1.0
167.07037	0.4
169.13313	0.4
171.06483	8.3
171.07808	0.5
173.07979	0.3
175.14784	9.7
178.02560	2.9
181.04919	100.0
182.05316	1.2
193.04929	25.4
193.15849	11.1
197.12811	0.4
199.05981	4.1
211.16896	28.3
215.14044	0.3
217.09731	0.4
219.08240	0.3
254.12817	1.9
301.27023	0.3
314.14932	1.6
319.22501	0.4
325.08997	2.7
342.14304	1.1
343.10132	1.8
360.15405	0.3
388.14951	0.5
489.20834	0.5
507.22101	2.3
507.30981	0.3
508.29816	0.5
530.42413	0.3
534.23273	0.4
535.22272	1.9
535.31073	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	0.9
55.01787	0.6
55.05448	1.1
57.03364	0.8
65.03853	0.8
67.05412	1.2
69.03342	4.9
69.06990	1.2
70.06496	3.3
71.04911	0.9
72.08070	0.9
72.10381	0.5
75.62928	0.5
79.05409	9.2
79.11544	0.5
81.03336	7.3
81.06963	2.3
81.50011	0.5
83.01267	0.6
84.08060	3.1
85.02827	3.2
86.09615	2.6
91.05415	14.0
93.06963	3.0
95.04882	1.2
95.08517	1.3
97.02821	1.1
97.06461	0.7
99.04346	0.9
105.06969	9.9
107.04902	4.8
107.08537	35.1
109.02784	1.0
109.06504	6.2
109.10118	1.4
115.05408	10.1
116.98572	0.6
117.06168	0.7
117.06976	15.8
118.07230	0.6
119.06034	1.3
119.08515	0.8
120.08105	1.2
121.10077	1.1
122.03530	0.9
123.07996	0.8
133.02814	13.4
133.06451	1.1
135.08018	100.0
136.08357	2.5
137.05911	5.2
147.04376	0.6
156.07245	0.6
163.07513	17.9
165.05481	2.3
167.06992	0.7
178.02609	6.1
181.08551	22.2
193.04927	55.7
280.26321	0.6
280.70920	0.6
319.22406	0.7
325.12665	3.2
343.13882	1.3
370.44614	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96499	5.7
58.06530	7.1
58.99508	3.0
59.00583	0.3
59.04929	9.8
69.03350	4.8
70.06507	0.5
76.02141	18.3
79.05417	0.5
81.03339	0.4
84.08086	0.5
85.02824	4.1
86.05994	0.9
86.09615	1.5
86.98974	2.3
87.04381	0.4
88.03868	0.5
93.06989	0.9
97.02817	2.7
98.97546	0.4
103.05402	6.2
105.00033	5.0
107.04902	1.5
108.04346	0.4
109.02872	0.6
116.05247	0.9
120.08056	100.0
121.08404	1.9
122.02676	36.2
127.03893	0.8
131.04903	2.5
144.04764	0.8
145.03131	0.5
149.05948	0.9
161.02930	0.5
162.05794	20.7
162.07161	0.7
163.06065	0.4
166.08592	16.4
190.05263	4.5
196.06390	1.4
208.06348	35.6
209.06931	0.6
219.01828	0.5
222.04366	1.6
223.04721	0.6
240.05443	3.1
241.05635	0.5
369.11142	0.7
370.11581	1.6
391.52563	0.5
472.49265	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72685	0.2
53.98162	0.2
54.35300	0.2
55.05449	0.3
61.37112	0.2
66.83160	0.2
68.04936	1.1
70.06507	66.6
71.06834	0.3
72.08066	0.3
80.04900	0.3
81.06982	0.2
82.02841	1.8
84.04430	0.8
84.08067	0.8
86.09652	0.3
91.05400	2.6
93.06966	3.5
94.06506	0.4
95.04882	1.0
95.06038	0.2
96.04414	5.9
103.05398	10.2
105.06963	2.0
106.43492	0.2
107.04886	0.4
107.08563	0.2
108.08066	0.9
113.07029	0.2
114.05476	0.2
115.08641	1.1
115.70947	0.2
116.07035	1.0
118.06486	0.3
119.04903	2.5
119.07316	0.3
120.08054	100.0
121.06477	0.2
121.08360	1.7
121.26487	0.2
123.04426	1.9
123.09120	0.3
128.03398	0.4
130.06512	1.3
131.04890	0.3
132.08069	0.2
134.05986	0.4
135.06787	1.1
136.07556	4.4
136.08514	0.3
137.06061	0.3
137.07098	1.4
144.08098	0.3
145.19026	0.2
146.06044	0.3
151.08641	6.5
162.05490	0.2
165.05452	1.0
172.07501	2.6
179.08110	9.5
187.03836	0.2
188.07056	1.7
189.06662	0.2
198.01573	0.2
200.07028	1.9
204.06522	0.4
207.07614	2.5
217.09726	2.1
217.13309	0.3
219.85895	0.2
224.10216	0.3
238.12379	0.2
297.12247	1.7
314.14920	12.3
315.13309	0.4
325.11832	1.7
329.15005	0.9
342.14368	11.7
343.12897	1.6
360.15442	1.6
371.12335	0.4
388.14902	9.8
416.19879	0.3
444.19073	0.4
489.21335	1.1
490.19595	0.5
507.22345	2.4
535.21729	20.7
536.22052	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38906	1.1
53.05540	1.1
53.98376	1.3
54.97047	1.1
55.05442	2.4
56.96496	5.3
57.42208	1.0
65.45711	1.2
67.05424	14.6
69.06977	6.2
79.05398	2.0
81.06979	14.6
83.08538	2.4
91.05431	1.6
92.10928	1.7
93.06968	6.5
95.08547	14.6
107.71086	1.3
109.10081	2.8
115.27396	1.6
118.97294	1.3
121.10091	2.2
123.11648	1.9
133.10110	1.8
136.93073	2.5
154.94121	15.6
172.95206	89.0
190.96252	100.0
194.93382	1.4
208.97420	1.7
210.96739	8.1
213.97878	1.9
223.29314	1.5
228.97830	42.6
230.99422	2.1
245.22565	3.0
246.98911	10.3
263.23569	5.9
264.23953	1.4
321.20828	2.6
339.22070	16.0
357.23001	1.5
401.17569	1.7
416.87518	1.5
457.20343	6.5
475.14694	2.9
475.21191	79.7
476.21298	6.6
493.21680	1.9
498.22772	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	535.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	2.3
56.90612	0.9
56.96489	6.5
61.65791	0.9
67.05431	7.9
69.06982	4.1
81.06977	9.1
83.08533	1.1
90.99679	1.0
91.05367	1.0
93.06965	2.2
95.08520	5.8
102.92515	2.5
107.08513	1.3
109.10126	3.8
119.08485	1.2
123.11694	1.2
136.93094	3.8
154.94139	17.4
172.95192	86.1
190.96251	100.0
195.96814	1.2
208.97336	1.2
210.96736	8.6
212.98320	1.3
213.97945	2.2
228.97807	35.6
230.99342	2.2
246.98798	9.0
263.23669	1.1
321.20724	1.2
337.20453	2.0
337.27167	1.3
339.22000	13.7
357.23172	2.1
373.97641	1.0
401.17386	1.4
419.18628	1.8
457.19913	5.3
475.21231	78.5
476.21445	6.0
493.22101	1.7
498.22458	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07560	1.2
53.03882	3.6
54.81867	1.6
55.01815	5.8
55.05453	22.9
55.78940	1.3
56.04970	2.7
57.03370	9.6
57.06995	3.3
59.04889	1.2
61.02860	11.0
65.03867	1.3
67.05431	21.5
69.03352	25.9
69.06978	20.5
70.06509	29.3
70.92896	1.5
71.04504	1.8
71.04910	74.3
72.08064	8.6
73.02837	6.0
79.05414	21.6
81.03358	10.7
81.06977	93.6
83.04909	1.7
83.08533	10.2
84.04424	8.4
84.08086	14.3
85.02830	100.0
85.03346	3.4
85.06481	41.0
86.09621	25.5
87.04387	7.9
91.03901	2.5
91.05408	20.8
93.06970	52.3
95.04898	5.4
95.08536	94.3
97.02844	19.5
97.06452	8.8
97.10091	8.9
99.04368	3.1
99.08032	10.0
105.06975	34.0
107.08537	59.4
109.02814	8.2
109.06438	3.6
109.10114	25.9
110.07101	5.9
111.08035	17.4
111.11567	1.6
119.08543	34.3
119.53127	1.5
120.08082	11.8
121.06364	1.6
121.10098	32.1
123.08041	1.9
123.11660	24.9
125.09604	2.0
127.03920	14.0
129.09167	1.4
129.10201	7.3
131.08492	3.5
133.10094	23.7
135.11687	14.9
136.07486	2.2
137.05981	1.8
137.09579	1.5
137.13150	1.8
141.12791	1.7
142.98769	1.5
143.08588	1.9
145.04965	16.3
145.10136	2.0
147.11656	16.7
149.05977	2.0
149.13235	32.5
151.11201	1.9
159.11699	2.2
163.06042	3.2
163.14790	68.7
164.15105	1.7
167.06987	1.8
169.10115	1.7
175.14764	19.8
177.16411	1.8
181.04939	2.4
181.15805	41.9
193.15840	30.5
211.16904	93.9
243.75941	1.5
289.56311	1.7
377.67859	1.8
475.30923	1.6
493.20746	1.7
535.25293	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2747
Annotation	Blumenol C 9-O-(4'-O-glucosyl-beta-glucoside)
Peak:m/z	Relative Intensity
53.03868	0.7
55.05452	8.7
56.04978	0.9
56.91180	0.4
57.03370	1.7
57.07014	3.5
59.04920	1.9
61.02850	0.6
67.05431	16.9
69.03353	10.6
69.06984	14.7
70.06511	14.4
71.04930	3.5
71.08509	0.7
72.08069	4.9
74.05984	0.7
79.05395	3.7
81.03328	0.9
81.06973	20.4
81.20172	0.5
83.04432	0.7
83.04901	13.2
83.08535	8.8
84.04440	5.4
84.08061	8.5
85.02819	10.6
85.06484	4.3
86.09626	10.0
87.05517	0.6
87.08026	0.5
87.09925	0.6
91.05381	3.5
92.10790	0.7
93.06979	10.8
95.04905	3.4
95.08530	33.4
97.02816	2.9
97.06398	1.5
97.10093	2.5
99.08008	3.5
102.05460	0.8
103.05406	0.9
105.06966	7.3
107.04904	0.6
107.08533	23.5
109.02821	0.8
109.06454	11.9
109.10104	100.0
110.07118	3.3
110.10421	1.0
111.08024	4.1
113.09573	2.4
116.07006	0.6
117.06930	0.9
119.08530	26.3
120.08090	3.4
121.10088	12.2
123.08023	12.5
123.11660	10.3
125.09590	1.0
127.03873	1.0
127.11168	1.0
129.10191	5.1
131.04974	0.7
133.10098	23.3
134.10471	2.3
135.08000	0.7
135.11658	71.7
136.07564	0.8
136.08542	0.5
136.12044	0.6
137.05949	1.9
137.09587	21.4
138.09962	0.8
139.11168	2.2
145.04976	0.7
147.11690	1.0
149.13254	6.7
151.11157	11.2
151.14789	13.5
151.15913	0.7
153.12735	2.6
155.10585	0.5
161.05959	0.5
165.12770	0.6
165.16347	2.6
167.06992	1.2
173.13228	0.7
175.07518	2.4
175.14778	27.1
181.04890	4.0
191.14334	0.9
192.14645	0.6
193.04944	0.6
193.08626	0.5
193.15846	32.2
194.16096	0.6
201.05464	0.5
211.16902	78.1
212.17252	2.2
234.08000	0.5
305.74811	0.5
306.35352	0.5
535.24939	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	1.8
54.36171	0.3
55.01798	0.7
55.05451	6.0
56.04967	1.0
56.96487	0.5
57.03363	1.7
57.06997	1.9
59.04919	2.3
60.01152	0.3
61.02837	0.5
61.97127	0.3
65.03862	6.1
67.05421	11.5
69.03349	8.0
69.06987	6.8
70.06506	26.0
71.04893	2.3
71.06836	0.5
72.08070	5.0
73.02802	0.5
74.05966	0.8
79.05395	2.1
81.03333	6.0
81.06972	10.7
82.04099	2.3
83.04904	5.0
83.08546	4.3
84.04432	3.7
84.08065	7.1
85.02818	11.0
85.06482	1.4
85.44490	0.4
86.09136	0.8
86.09620	12.1
87.54042	0.4
88.03926	0.6
91.05398	1.8
92.10262	0.6
93.03316	0.9
93.06968	4.5
95.04903	5.1
95.08530	17.2
97.02847	3.0
97.06435	2.6
97.10101	0.8
99.04394	0.9
99.08000	1.6
102.05444	0.7
103.05332	0.6
103.07485	0.4
105.06961	4.5
107.08519	10.0
108.02015	0.7
109.02837	2.4
109.06446	5.6
109.10100	44.2
110.03619	3.0
110.07107	5.3
110.10433	0.5
111.04382	2.4
111.08033	1.9
112.08652	0.5
113.09561	0.7
115.08660	0.6
116.07050	0.5
119.08518	9.4
120.06535	0.6
120.08030	6.1
121.10093	5.8
122.03573	0.6
123.04349	1.9
123.08006	5.4
123.11638	4.0
125.05952	2.8
125.07030	3.6
127.03871	1.8
127.08656	0.5
128.10695	1.7
129.10178	2.7
130.04973	0.7
130.06516	0.5
131.04858	0.8
133.02818	7.4
133.09177	0.6
133.10101	9.4
134.05882	0.4
134.60310	0.4
135.06831	0.4
135.07964	0.5
135.11649	30.6
136.07500	1.6
137.05925	3.9
137.09570	7.5
138.03098	1.8
139.11150	0.9
140.04637	8.7
142.02591	2.4
147.11652	0.5
149.13232	2.8
151.07446	0.6
151.11137	5.4
151.14798	5.1
153.05444	0.5
153.12677	0.8
155.07005	2.8
162.09059	0.5
163.07527	0.5
165.05423	0.5
165.16351	1.7
167.92055	0.4
171.06488	9.4
175.14755	12.0
178.02591	3.7
181.04909	100.0
182.05276	5.2
193.04921	26.5
193.15836	14.0
194.05215	0.9
199.05923	3.7
211.16885	32.0
254.12831	2.1
271.58316	0.4
305.55045	0.5
307.06210	0.5
314.14801	1.8
325.09079	2.5
342.14423	1.0
343.10211	1.7
388.14804	0.7
489.21399	0.8
489.30136	0.6
507.21976	2.7
507.31140	0.7
535.22321	2.4
535.30786	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03297	1.6
55.26981	1.9
58.01644	1.5
58.38820	1.6
73.04664	10.6
79.02083	2.4
82.31905	1.9
83.81268	2.0
91.05149	3.4
91.05713	97.3
93.03650	2.5
109.06763	2.1
125.21279	2.1
143.42783	1.9
149.04474	8.8
159.51378	1.7
167.05495	64.9
170.29985	1.6
207.57341	2.3
223.06477	2.4
225.04211	16.6
227.02119	2.5
239.09468	9.2
266.99905	21.8
283.02914	29.2
285.00830	2.6
299.06113	100.0
300.06339	2.3
344.97516	22.9
359.02692	7.5
415.03488	7.6
420.33548	2.1
503.10788	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	536.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00266	0.8
55.01809	2.3
55.05449	15.0
56.04960	6.5
57.03364	1.5
58.99517	15.9
60.04453	6.0
61.01081	1.7
65.03873	0.9
67.05430	11.2
69.03346	4.3
69.06981	6.5
70.02861	1.4
70.06136	2.0
70.06506	44.5
71.04916	2.0
72.07710	1.6
72.08067	21.6
74.05988	3.7
76.02136	100.0
76.03900	4.5
79.05392	10.4
80.04913	1.4
81.03332	32.5
81.06963	14.7
83.04892	9.9
83.06001	2.1
83.08532	9.0
84.04421	49.3
84.04935	1.7
84.08061	33.3
85.02824	4.1
85.03939	2.1
85.08382	1.1
86.06016	1.1
86.09623	37.3
86.98981	5.7
87.09985	1.1
88.02139	1.4
88.03919	2.4
91.05389	13.7
93.06967	9.6
95.04886	12.6
95.08537	6.3
96.97789	1.1
97.02795	4.2
97.06444	2.3
97.10109	2.2
101.07086	1.1
102.05458	7.0
103.05378	1.9
105.06971	9.6
107.04879	1.5
107.08544	4.3
109.06452	1.8
109.10104	3.6
110.07115	14.3
111.04346	1.4
111.08009	1.8
115.08645	1.8
116.01627	24.9
117.06968	1.1
119.04867	1.7
119.08527	9.4
120.08055	20.6
121.06454	1.2
121.10078	5.4
123.08005	1.2
123.11635	1.0
126.05444	1.0
129.06903	2.2
129.10184	17.8
130.04948	17.2
130.06418	1.0
131.04790	2.1
131.08528	4.9
133.06421	1.1
133.10100	6.0
136.07549	6.5
137.05945	7.8
137.09608	2.4
139.04985	0.9
140.28479	1.0
142.03236	8.6
144.01128	12.5
147.07703	1.9
147.11607	3.6
148.06013	1.4
149.09537	2.3
157.10077	4.6
162.02153	36.3
163.07268	1.0
170.02693	4.0
173.12814	1.4
175.07500	1.3
175.11142	4.1
177.03259	5.6
179.04793	34.8
180.05348	1.1
187.05325	2.2
193.12202	13.7
201.12260	1.5
211.13239	16.3
215.04837	2.3
215.13895	1.6
233.05830	11.7
245.05836	1.6
285.65204	1.0
294.14246	1.5
308.09045	50.4
309.09509	1.5
425.49835	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26669	0.9
53.03878	8.3
54.81989	1.3
55.01797	1.9
55.05450	4.7
56.04961	8.6
57.03360	7.8
60.04451	2.5
61.01057	1.4
61.02853	5.2
67.05395	1.8
69.03346	25.2
69.06976	2.3
70.06506	61.8
71.04907	9.0
71.06814	1.7
72.08066	28.3
73.02815	5.5
74.05979	6.0
78.09100	1.2
79.05399	4.2
81.03326	23.3
83.04868	1.7
83.73466	1.1
84.04420	22.1
84.08061	42.8
85.02821	90.3
85.08401	2.0
86.09621	31.8
87.04371	1.5
87.05518	1.9
88.03909	5.8
91.05397	8.6
93.06968	3.0
93.42370	1.1
95.04900	6.1
95.08536	5.4
97.02818	41.1
98.02242	1.3
99.04378	65.1
101.07088	1.8
102.05460	7.9
103.03872	92.8
103.05386	7.8
104.05206	1.7
105.06952	8.9
107.04887	29.8
107.08511	2.0
108.04419	1.5
108.05157	1.2
109.02811	27.4
109.06456	1.9
109.10104	1.6
110.07114	13.0
111.04383	1.4
115.05418	2.6
115.08636	2.6
116.07028	2.8
117.06956	1.9
119.04892	4.8
119.08514	6.8
120.08071	11.9
120.08797	1.4
121.06463	2.8
123.04359	2.0
127.03868	100.0
128.04208	1.7
129.10199	21.0
130.05006	1.8
130.06456	1.7
131.04889	6.7
133.06244	1.6
133.10062	1.5
135.07954	12.3
136.07527	16.2
137.05936	18.9
145.04927	27.4
145.06206	1.6
149.05984	1.7
155.08075	2.5
161.05971	3.1
163.05975	25.6
163.07500	24.9
164.07941	2.0
167.06985	70.3
177.05507	1.5
179.06990	2.0
180.07700	1.7
181.08542	6.9
187.05942	5.1
187.07503	1.7
194.09464	1.3
195.10127	19.1
207.13658	1.8
213.11166	59.7
267.10260	1.6
271.08063	2.1
289.08963	1.7
303.12152	5.2
307.10233	5.0
312.18930	1.5
321.13266	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	536.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53992	4.7
55.01811	4.8
55.05436	23.8
56.04964	6.3
56.96478	5.9
57.03364	11.1
60.29160	4.5
61.33099	4.5
67.05424	8.9
67.54192	5.3
68.47041	4.6
69.03351	11.7
69.06974	9.9
70.06506	72.8
71.04911	94.1
71.68138	4.8
72.08052	24.3
74.05996	8.6
79.05417	12.7
81.06966	60.0
83.04881	8.7
83.08562	8.2
84.04415	30.5
84.08068	40.2
85.02831	100.0
85.06447	23.5
86.09628	50.6
91.05374	21.3
93.06977	44.0
95.04939	5.9
95.08535	53.3
97.02774	8.3
98.97541	5.1
103.05397	23.9
105.06973	31.4
107.08518	34.0
109.10098	27.7
110.07127	6.2
111.07997	9.0
116.98620	6.3
119.04925	7.3
119.08510	33.5
120.08051	31.5
121.10059	24.4
121.33614	5.1
123.11629	12.0
129.05428	8.7
129.10258	7.8
131.04886	24.1
131.08563	5.7
133.10126	22.1
135.11739	6.4
137.05923	25.6
145.10188	5.9
147.11674	10.9
149.13225	28.6
163.07440	5.9
163.14761	24.9
167.06963	7.6
175.14752	20.9
177.16336	7.4
181.15810	22.7
193.15884	10.1
211.16899	53.7
233.28516	6.3
332.75064	6.4
404.74432	7.6
537.26483	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	536.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51159	0.8
55.05449	1.6
57.03359	1.1
57.07005	1.3
60.08096	8.8
61.06723	0.7
67.05432	1.7
67.05863	0.6
69.06985	1.6
71.07270	4.1
74.19264	0.8
79.05408	1.6
81.06996	1.1
83.08512	1.6
86.09628	47.1
93.06985	1.2
95.08530	1.5
98.98364	3.9
101.55295	0.9
104.10667	5.2
109.10072	1.1
123.66432	0.9
124.99966	35.0
156.19247	0.8
165.68336	0.8
184.07304	100.0
185.07579	1.1
190.96317	0.8
233.32591	0.9
235.60999	0.8
518.36206	1.3
521.69781	1.1
536.36664	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	537.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01805	0.6
55.05440	2.3
56.04965	1.2
56.96505	0.7
60.04450	0.7
64.33743	0.5
67.05419	2.9
69.03322	0.6
69.06985	1.0
70.06507	100.0
71.06843	1.0
72.08064	4.7
78.23112	0.5
79.05428	1.0
81.06979	2.8
84.04431	3.2
84.08065	11.5
85.02827	0.8
85.08852	0.8
86.09622	8.9
91.05407	2.9
92.65424	0.5
93.06973	2.3
94.07301	0.6
95.04894	4.1
95.08540	2.7
98.05978	1.4
102.05460	0.8
103.05393	6.4
105.06969	3.6
107.04910	1.1
107.08533	1.1
108.27884	0.5
109.10124	2.1
109.25085	0.6
110.07102	3.0
111.04497	0.6
111.08031	0.7
112.07542	7.6
115.05385	0.7
115.08634	1.3
117.06986	0.6
119.04901	1.0
119.08530	1.2
120.08057	39.6
121.10107	1.0
122.01941	0.6
122.03610	0.7
125.07064	11.4
125.09615	0.6
129.10196	2.6
130.06529	2.4
131.04883	4.7
131.08487	0.6
136.07593	2.2
136.11319	0.8
137.05956	9.4
140.51711	0.7
145.06494	0.7
146.06143	0.7
147.04430	1.2
160.07565	1.4
161.06009	2.5
164.10660	2.2
165.05377	1.4
165.06781	0.6
166.04193	0.6
175.07402	0.9
177.09041	2.5
181.13335	5.1
182.08075	1.0
187.07579	0.9
189.05438	0.8
189.09102	3.3
190.12321	0.6
192.10187	0.7
202.12178	5.7
207.07957	0.7
209.12851	2.6
209.15382	1.1
217.13280	8.8
218.24390	0.6
219.08092	1.1
219.10124	1.2
220.31660	0.6
227.11772	2.7
231.10129	3.4
245.12828	1.3
248.12691	5.3
251.10468	0.7
253.08612	0.6
254.12698	0.6
255.11208	1.0
265.15424	4.9
329.29486	0.6
339.47696	0.6
426.19983	2.2
430.46344	0.6
492.24878	3.1
509.27264	2.4
537.26959	35.3
538.27570	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	537.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01809	1.5
55.05453	16.6
57.03366	12.8
57.07002	1.5
61.02848	2.1
64.33183	1.1
67.05423	15.5
69.03339	8.3
69.06987	30.7
70.06509	16.8
71.01271	1.3
71.04911	46.2
72.08070	1.6
73.02823	5.0
75.04399	6.8
79.05398	6.5
81.03313	2.4
81.06976	45.7
83.04906	19.6
83.08530	9.6
84.04434	2.0
84.08054	4.5
85.02826	83.3
85.06453	4.1
86.09622	4.1
87.04408	2.0
91.05404	11.3
93.06973	17.3
95.04890	4.4
95.08531	100.0
97.02834	5.1
97.06458	2.4
97.10079	4.5
99.04385	1.5
99.08014	4.6
100.11170	1.4
101.05956	1.3
103.05422	1.8
105.06981	15.4
107.08548	13.7
109.06481	1.2
109.10102	31.8
110.07083	1.4
111.04377	10.1
111.08018	5.8
111.11673	4.1
113.09538	1.1
115.05410	1.4
119.08518	16.7
120.08089	7.1
121.10101	5.1
123.04395	1.4
123.11674	4.0
125.09567	1.2
126.16359	1.2
127.03897	1.7
129.05447	12.4
130.06464	1.7
131.04927	1.4
132.08064	2.1
133.02818	1.4
133.10106	24.3
135.07954	3.7
135.11665	6.3
136.08427	1.3
137.05959	9.4
137.09604	4.9
145.04994	1.2
145.10156	1.8
147.06503	6.3
147.11673	7.4
149.13255	15.4
151.14790	54.5
159.09135	5.4
159.11618	1.3
165.16316	1.4
175.14783	45.0
185.13275	1.3
193.04999	1.5
193.15837	53.8
211.16884	25.5
229.17963	4.7
283.55490	1.2
344.77246	1.3
537.26343	4.9
537.68298	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01814	1.3
55.05447	18.0
57.03372	12.8
57.06989	1.7
59.04913	1.5
61.02841	2.0
67.05430	15.4
69.03334	7.1
69.06982	17.9
70.06503	9.0
71.01259	1.0
71.04907	53.9
73.02814	4.5
73.95374	0.9
75.04391	6.5
76.25410	1.0
79.05397	7.7
81.03339	2.1
81.06979	38.1
83.04443	1.4
83.04897	18.0
83.08539	9.3
83.93977	1.1
84.04409	1.9
84.08048	7.1
85.02824	100.0
85.06436	1.7
86.09613	5.5
87.04362	1.4
87.35683	1.0
91.05390	7.3
93.06957	11.3
95.04920	1.9
95.08531	59.9
97.02828	6.7
97.06467	2.5
97.10092	6.7
103.05370	1.7
105.06980	14.0
107.04891	1.2
107.08539	9.1
109.02847	4.5
109.10101	26.4
110.07098	1.5
111.04371	10.7
111.08016	2.5
111.11653	1.5
119.08553	17.5
120.08057	4.7
121.10081	6.1
123.08038	1.4
123.11674	1.7
127.03858	5.2
129.05434	16.8
129.10155	2.0
131.08478	1.3
133.10068	14.1
135.11647	4.7
137.05954	4.4
137.09608	2.3
147.06503	8.2
147.11647	6.2
149.13246	7.6
151.14790	39.0
153.56201	1.2
175.14792	30.8
193.15836	40.2
211.16907	9.2
229.17953	1.6
255.08508	1.3
309.11502	1.5
365.28452	1.1
499.71939	1.1
537.26501	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	537.5349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23351	0.3
55.05463	0.5
57.07010	6.4
61.07603	1.5
67.05418	0.5
69.06995	0.5
71.08543	3.1
81.06953	0.4
83.08531	0.4
84.38610	0.3
85.10080	0.7
86.93474	0.3
87.58537	0.4
89.17740	0.3
95.08534	0.7
98.06007	0.4
99.92784	0.4
105.56677	0.3
150.10789	0.4
194.98286	0.3
236.20341	0.4
281.29459	22.6
282.27841	100.0
283.28079	3.8
292.71365	0.3
299.27219	0.6
299.30475	10.7
310.31155	0.5
319.91577	0.4
369.86902	0.4
392.78729	0.4
522.52222	0.5
537.53552	8.3
538.53479	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	0.4
54.81989	0.3
55.01806	0.7
55.05439	0.4
56.04985	0.2
57.03359	0.5
61.02832	0.4
69.03324	1.9
70.06502	4.0
72.08051	1.3
79.05389	1.8
81.03331	0.8
81.06966	1.5
84.04420	1.8
84.08047	2.9
84.23599	0.3
85.02832	4.4
86.09624	3.3
91.05408	4.9
93.06962	2.5
94.04098	1.3
95.04866	1.2
95.08520	0.4
97.02834	1.3
103.05400	3.0
105.06974	7.0
106.72121	0.3
107.04904	1.1
107.08517	0.4
109.02833	0.4
109.06475	1.5
109.10129	0.5
110.07098	1.2
115.05392	2.7
116.07076	0.4
117.06964	1.6
117.52155	0.3
119.04887	1.3
119.08498	2.3
120.08064	1.0
121.06459	2.3
122.03596	5.4
128.06126	0.6
129.06966	2.2
129.10184	0.5
131.04884	2.5
131.05788	0.3
131.08614	0.4
132.05669	1.4
133.06451	5.1
136.07484	0.5
137.05946	100.0
138.06277	2.0
143.06030	0.4
144.05630	0.5
145.06462	3.2
146.03535	0.3
147.04393	2.1
147.08044	2.6
149.05963	4.8
151.07555	0.6
155.04857	0.5
156.05734	0.5
159.08011	1.8
160.05174	1.7
161.05928	14.0
162.06659	1.7
163.07512	0.5
171.08069	0.3
172.05099	0.7
173.05949	0.8
175.07500	19.4
176.07860	0.5
177.09058	0.4
179.06941	0.4
179.08490	0.6
181.75438	0.3
185.05829	0.4
187.07477	6.2
189.07043	0.3
189.08875	0.4
190.07727	1.9
191.08536	5.8
193.08554	4.9
199.07491	2.5
202.07753	0.7
203.08456	3.3
205.08601	1.5
207.07935	0.6
208.08760	0.4
217.08536	0.6
218.07289	1.8
219.07990	8.9
220.08730	1.7
221.06017	0.5
231.07961	3.1
232.08768	0.6
235.07452	0.6
236.08266	1.7
237.08978	0.6
247.07458	3.7
248.08231	2.0
251.10612	13.1
252.11110	0.4
253.08554	1.2
259.07465	2.0
261.09192	0.4
263.10544	0.6
264.07770	0.7
265.08441	0.4
267.10138	0.5
268.07095	0.4
269.11740	0.5
277.08521	0.5
279.10068	7.9
280.10782	0.7
281.07986	0.4
281.11749	0.3
291.10046	3.8
292.10794	0.7
296.10229	0.5
309.10898	0.5
311.12680	14.4
312.12909	0.7
323.12796	4.7
329.13858	2.5
341.13776	4.8
359.14731	0.5
409.47433	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03895	0.7
55.01822	0.4
55.05454	2.2
55.72799	0.4
56.04964	3.0
57.03362	1.7
58.61292	0.4
60.04456	0.7
61.01085	0.5
61.02859	0.9
64.33742	0.4
64.95321	0.4
67.05420	1.7
69.03361	5.2
69.06983	2.2
69.23000	0.4
70.06515	8.7
71.04897	1.9
71.06879	0.4
72.08077	7.3
74.06013	0.6
74.50275	0.4
76.59132	0.4
79.05422	1.7
81.03322	1.0
81.06985	3.5
83.06026	0.7
83.08542	0.5
84.04429	3.2
84.08070	10.1
85.02834	13.7
85.06482	0.6
86.09634	8.3
87.04383	1.0
87.09962	0.5
87.35143	0.5
88.03897	1.9
91.03874	0.6
91.05404	2.3
93.06984	3.5
94.04094	0.9
95.04882	1.1
95.08540	3.2
97.02831	5.0
99.04400	0.7
100.10017	0.4
102.05476	0.8
103.05405	5.3
104.05261	0.7
105.07004	3.0
107.04887	1.8
107.08540	2.7
109.02823	1.7
109.06470	0.8
109.10094	2.1
110.07124	7.8
114.09180	0.4
115.03970	0.4
115.05386	0.6
115.08643	0.4
119.04929	1.0
119.08547	1.0
120.08069	6.3
121.06436	0.7
121.08392	0.6
121.10110	0.9
122.03619	5.2
125.09572	0.6
127.03890	0.9
129.06956	0.7
129.10207	4.2
130.06499	1.1
131.04904	15.1
131.08583	0.5
132.08029	0.6
133.04932	0.4
133.06479	0.6
133.10077	0.5
135.04337	0.4
136.07593	0.6
137.05960	100.0
138.06316	3.0
140.22195	0.4
145.04936	0.7
145.06474	0.5
145.10149	0.5
147.11679	0.8
149.05959	2.2
149.13208	0.5
151.03880	2.7
151.07550	0.8
157.06499	0.7
159.09163	0.8
160.05185	0.4
161.05948	0.8
163.07501	5.7
165.05455	2.4
165.82936	0.5
169.07590	0.6
175.07532	2.3
177.05440	1.7
178.06133	0.5
179.07033	0.6
180.08745	0.7
189.09155	0.9
197.15343	1.9
201.16240	0.4
203.08556	1.9
223.09659	0.8
231.08076	3.1
232.08801	0.7
248.08261	1.0
259.07471	1.9
263.10632	4.4
276.07748	0.7
277.08563	0.5
291.10083	6.3
292.10831	0.5
305.11676	1.7
305.24725	0.9
309.10986	0.7
323.12814	3.6
324.47733	0.7
335.11679	0.8
341.13815	17.4
342.14114	1.0
358.23712	1.1
358.28955	0.6
359.14847	15.9
360.15222	0.9
479.15051	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20598	3.5
55.05442	38.5
58.33933	3.5
64.33280	5.6
65.63842	3.5
67.05429	19.7
68.68649	3.4
69.06983	8.2
70.06507	20.2
72.08056	4.2
79.05400	16.2
81.06985	30.3
82.06489	5.3
83.04887	7.7
83.08517	34.0
84.08073	16.9
85.06415	4.6
86.09611	8.8
92.10920	8.4
93.06971	24.8
95.04847	5.4
97.06466	20.9
100.07539	17.8
100.11187	61.6
100.53177	4.8
107.08512	28.4
109.10122	5.1
111.04388	23.0
112.07540	4.6
121.10095	9.0
128.07014	22.1
137.06006	4.2
140.07066	6.0
149.13225	66.4
167.14259	6.8
182.15326	72.7
184.16936	37.1
184.66396	4.2
199.79539	4.4
210.14836	78.2
212.99416	4.8
266.21140	34.5
294.20499	24.5
337.21378	6.2
355.22104	6.8
383.14679	18.7
520.37500	35.1
538.38361	100.0
541.91626	5.0
542.85608	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	538.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	12.3
55.11998	2.1
57.03369	10.3
57.06737	3.3
57.07012	89.0
57.49201	2.0
61.02859	10.2
67.05426	26.6
69.06998	18.2
70.52950	2.2
71.08185	3.3
71.08549	64.8
73.02835	2.6
81.06970	35.5
83.08543	13.0
85.02849	3.9
85.10099	32.2
92.10185	4.0
92.88376	2.3
95.08530	47.7
96.58319	2.3
97.02829	2.9
97.10117	20.7
99.11658	3.0
109.10096	19.9
111.11685	5.1
119.92136	2.2
123.11633	5.1
137.13190	2.4
249.67297	2.3
267.26773	25.9
272.64886	2.5
282.27573	2.4
317.70297	2.4
341.30444	100.0
359.31476	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	539.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34295	0.9
51.87589	1.0
55.05435	1.3
56.04973	1.5
61.23436	1.0
69.03368	1.1
70.06521	8.8
72.08067	2.3
73.41365	1.2
76.54178	1.1
79.05386	1.7
81.06954	2.1
83.06038	1.4
83.41222	0.9
84.04449	1.5
84.08064	7.1
85.02846	4.2
85.37027	1.0
86.06387	1.1
86.09627	13.5
91.05410	5.0
97.02770	1.3
99.04379	1.3
103.03888	5.7
105.06971	1.9
107.04891	6.3
110.07111	6.4
113.10718	1.8
114.37259	1.2
116.05779	1.3
119.04893	1.3
119.08540	1.9
120.08074	2.0
127.03751	7.0
134.99539	1.3
137.05956	6.3
141.05144	2.0
141.10237	1.7
147.11673	1.3
155.03105	1.4
159.09166	1.8
161.05911	1.4
163.07539	2.0
171.02644	4.3
171.04045	1.5
186.06442	9.0
203.05362	2.0
203.10567	1.4
299.26224	1.3
317.08344	13.6
375.12521	6.3
402.74728	1.3
513.72943	1.3
539.20874	100.0
539.28119	10.2
540.21179	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	539.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00246	0.9
53.03873	1.2
54.29575	0.7
55.01808	0.8
55.05188	1.0
55.05447	25.2
57.03372	14.1
57.07005	11.9
58.51219	0.9
58.51508	0.7
59.04919	5.4
61.02849	2.0
61.88916	0.7
64.33289	0.8
67.05431	3.3
69.03342	8.0
69.06982	28.7
70.06491	5.9
71.01237	1.4
71.04904	60.4
71.08539	8.5
73.02833	3.9
73.06452	1.4
74.05976	1.1
75.04378	9.2
76.26946	0.9
79.05391	4.9
81.03334	2.1
81.06969	13.5
83.04896	21.9
83.08530	23.4
84.08064	6.7
85.02822	100.0
85.06483	1.0
85.10085	1.4
86.09613	5.6
87.04367	1.1
91.05406	1.7
93.06966	10.9
95.04890	1.7
95.08530	14.4
97.02836	7.6
97.06450	4.7
97.10094	29.0
99.04371	2.0
99.07976	1.4
101.05942	4.0
103.03851	0.9
103.40943	0.9
105.06953	1.6
107.04893	1.8
107.08554	10.9
109.10098	9.9
110.07108	3.8
111.04398	13.3
111.08025	8.8
111.11641	5.7
115.07532	1.4
119.08505	0.9
120.07975	1.2
121.10105	14.8
123.11666	1.7
125.09544	3.5
127.03849	5.6
129.05429	18.0
129.09070	1.3
129.10164	1.2
133.10104	1.2
135.07913	0.9
135.11641	8.2
137.05963	20.0
137.13313	1.0
139.03783	1.1
139.11160	3.7
147.04385	1.0
147.06494	8.3
149.05954	1.0
153.16379	10.3
163.07399	1.2
174.06680	1.0
174.18639	0.9
177.16336	34.2
185.39821	1.0
195.17389	24.5
213.18443	73.7
273.09528	1.1
309.11670	1.9
345.71359	1.0
428.35199	1.0
539.28253	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	539.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00249	1.9
53.03890	2.1
54.81965	0.9
55.01812	2.5
55.05450	17.5
56.04966	2.4
56.96507	1.1
57.03361	2.6
57.06773	0.9
57.07014	8.7
57.34347	0.9
59.04939	2.5
60.04465	1.8
67.05431	27.2
68.00492	0.9
68.83989	0.9
69.03352	10.8
69.06989	39.4
70.06507	26.5
71.04912	17.6
71.08579	1.1
72.08067	13.2
72.34427	0.8
74.06006	2.2
78.87658	1.0
79.05408	17.0
81.03317	1.6
81.06976	100.0
83.04906	5.7
83.06004	0.9
83.08534	10.2
84.04430	6.7
84.08067	19.7
85.02832	7.5
85.06464	7.3
86.09631	17.1
88.03893	1.2
91.05415	15.7
92.10314	1.2
93.06361	1.5
93.06972	60.5
95.04892	26.1
95.08533	72.3
96.46322	1.2
97.02815	1.6
97.06454	11.8
97.10105	2.4
99.08012	1.9
102.05470	1.9
103.05389	1.3
104.89628	1.0
105.06982	25.2
107.04868	1.5
107.08536	39.7
109.06482	7.2
109.10104	48.0
110.07132	8.4
111.08037	8.0
111.11627	3.7
112.76495	1.0
115.05394	1.5
115.07595	1.0
116.07072	1.1
116.98596	1.4
117.06967	1.9
119.04914	1.0
119.08529	24.1
120.08051	9.5
121.10106	37.3
122.03527	1.1
123.08012	2.1
123.11666	42.9
125.09555	2.0
127.03889	1.1
127.11160	10.1
129.06989	1.4
129.10162	8.5
131.04930	5.0
131.08553	6.6
133.02864	1.4
133.10094	12.4
134.25647	1.2
135.07999	1.6
135.11647	13.1
136.07565	2.0
137.05957	23.7
137.09612	2.5
137.13232	23.5
138.06317	4.7
139.11156	37.8
141.12750	1.6
143.08548	2.4
145.10100	12.5
147.11665	20.3
149.05948	1.1
149.09566	1.1
149.13274	12.4
151.03893	2.0
151.07521	1.9
151.11169	6.3
153.12703	7.2
157.10074	5.3
157.12180	1.4
159.08037	1.3
159.11681	11.4
161.05902	8.2
161.09637	1.1
161.13269	6.2
163.07469	1.4
163.11169	1.9
163.14771	2.4
165.12785	7.5
167.06995	5.1
167.10637	1.8
167.14307	2.4
171.11708	2.4
173.13225	5.8
175.07503	8.5
175.14795	3.6
176.07858	2.3
177.16302	1.6
179.07080	1.0
181.05008	1.1
181.12187	3.9
183.13718	2.3
184.59306	1.1
187.07468	3.8
187.14804	2.0
189.16383	2.4
193.24414	1.1
199.14851	1.6
201.14720	1.6
201.16402	5.1
213.16368	3.9
217.15480	1.1
267.19559	1.5
269.22614	3.8
275.23434	1.3
277.25198	1.2
287.23648	16.8
293.24698	4.1
305.24762	21.2
306.24930	1.5
323.07336	1.2
323.25797	12.9
396.13791	1.4
539.27533	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	7.0
55.05447	29.3
57.03365	9.0
57.06997	8.9
57.87214	7.2
63.32343	7.4
67.05424	95.6
69.03342	43.5
69.06973	13.5
79.05398	76.0
80.91631	7.3
81.03334	100.0
81.06974	54.3
84.94615	8.9
85.02825	13.7
89.05946	15.5
91.05405	38.4
91.40163	7.2
93.06974	94.8
95.04888	12.2
95.08521	79.6
97.02821	19.8
99.04398	11.4
105.06965	47.4
107.08521	44.0
109.02827	10.2
109.10098	36.1
117.06936	18.0
119.08514	34.3
121.10085	16.2
123.11704	9.2
127.03813	12.0
129.06886	12.3
131.08530	40.8
135.11676	18.0
145.10060	20.2
149.13261	10.3
157.10089	10.9
226.60858	8.3
261.22162	9.0
287.86774	8.0
290.75742	8.9
304.32690	8.4
373.66940	9.0
387.25058	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	540.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	5.1
54.41821	1.1
55.01803	6.8
55.05442	14.6
56.04971	10.0
56.05185	1.0
56.78731	1.0
56.96490	1.2
57.03364	2.7
60.04449	6.1
61.01083	1.6
65.03852	7.4
67.05418	8.2
69.03349	10.4
69.06984	13.0
70.02865	1.3
70.06507	66.8
71.04912	1.3
71.06834	1.5
72.08069	23.5
74.05975	5.1
75.04383	9.3
77.93050	1.3
78.04618	2.1
79.05399	15.4
81.03336	5.3
81.06969	22.6
83.04890	5.5
83.08528	1.3
84.04427	27.9
84.08060	41.1
85.02814	20.7
85.06470	2.9
85.08383	1.9
86.09138	2.0
86.09626	34.2
87.04398	2.1
87.09981	1.6
87.45128	1.1
88.03904	5.1
91.05399	46.2
92.05734	1.3
93.03339	20.8
93.06967	28.7
95.04893	15.7
95.08530	12.2
96.49366	1.4
97.02824	7.0
97.06445	8.0
98.05975	1.6
99.08030	2.0
101.07093	2.2
102.05483	6.4
103.05394	16.3
104.05228	2.3
105.04497	1.5
105.06980	15.7
106.04111	65.2
106.07272	1.8
106.86932	1.3
107.04924	11.3
107.08524	30.6
109.02820	2.5
109.06448	6.4
109.10104	16.2
110.07118	19.3
110.10448	1.3
111.04382	6.0
112.08658	5.3
115.05402	1.6
116.07033	5.2
116.98534	1.4
117.06953	10.0
119.04874	3.2
119.08518	8.4
120.08060	18.0
121.06450	70.9
121.10093	5.5
122.03613	1.7
122.07221	1.5
122.10469	1.8
123.04360	1.7
123.08053	1.8
123.11636	6.0
125.05949	21.0
125.09576	2.1
127.03884	5.4
127.08645	1.6
129.06847	2.1
129.10178	17.0
130.04942	2.3
131.04889	8.7
131.08527	1.9
133.06406	1.8
133.10118	2.7
134.03587	8.5
135.04405	1.5
135.08014	62.1
135.11679	7.5
136.07539	8.1
137.05948	46.8
139.07521	3.1
140.04727	1.5
145.02841	1.7
145.06105	1.4
145.10071	2.6
147.04382	1.5
147.08017	1.6
147.11627	4.7
148.05104	5.1
149.05942	93.2
151.03871	7.8
151.07529	6.2
153.05443	6.2
153.09068	23.8
153.12672	1.6
159.11549	1.7
161.05939	8.0
161.13168	1.5
162.03120	1.4
163.03845	1.5
163.07495	27.7
166.06219	5.3
167.06990	7.2
173.13043	1.7
175.07484	2.2
177.05426	38.7
177.10283	1.5
178.05997	1.7
179.06993	2.2
180.35744	1.6
181.08543	47.3
189.09035	2.5
191.06972	2.2
193.15846	5.1
201.12206	1.4
205.04887	1.9
206.05621	1.4
207.06584	1.6
209.08029	100.0
210.08476	2.3
219.10092	2.9
221.05890	1.6
223.04189	9.9
315.04916	6.3
324.25958	1.8
325.12729	2.7
331.15350	2.1
343.13858	5.3
361.09100	31.0
460.18335	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	5.1
54.41821	1.1
55.01803	6.8
55.05442	14.6
56.04971	10.0
56.05185	1.0
56.78731	1.0
56.96490	1.2
57.03364	2.7
60.04449	6.1
61.01083	1.6
65.03852	7.4
67.05418	8.2
69.03349	10.4
69.06984	13.0
70.02865	1.3
70.06507	66.8
71.04912	1.3
71.06834	1.5
72.08069	23.5
74.05975	5.1
75.04383	9.3
77.93050	1.3
78.04618	2.1
79.05399	15.4
81.03336	5.3
81.06969	22.6
83.04890	5.5
83.08528	1.3
84.04427	27.9
84.08060	41.1
85.02814	20.7
85.06470	2.9
85.08383	1.9
86.09138	2.0
86.09626	34.2
87.04398	2.1
87.09981	1.6
87.45128	1.1
88.03904	5.1
91.05399	46.2
92.05734	1.3
93.03339	20.8
93.06967	28.7
95.04893	15.7
95.08530	12.2
96.49366	1.4
97.02824	7.0
97.06445	8.0
98.05975	1.6
99.08030	2.0
101.07093	2.2
102.05483	6.4
103.05394	16.3
104.05228	2.3
105.04497	1.5
105.06980	15.7
106.04111	65.2
106.07272	1.8
106.86932	1.3
107.04924	11.3
107.08524	30.6
109.02820	2.5
109.06448	6.4
109.10104	16.2
110.07118	19.3
110.10448	1.3
111.04382	6.0
112.08658	5.3
115.05402	1.6
116.07033	5.2
116.98534	1.4
117.06953	10.0
119.04874	3.2
119.08518	8.4
120.08060	18.0
121.06450	70.9
121.10093	5.5
122.03613	1.7
122.07221	1.5
122.10469	1.8
123.04360	1.7
123.08053	1.8
123.11636	6.0
125.05949	21.0
125.09576	2.1
127.03884	5.4
127.08645	1.6
129.06847	2.1
129.10178	17.0
130.04942	2.3
131.04889	8.7
131.08527	1.9
133.06406	1.8
133.10118	2.7
134.03587	8.5
135.04405	1.5
135.08014	62.1
135.11679	7.5
136.07539	8.1
137.05948	46.8
139.07521	3.1
140.04727	1.5
145.02841	1.7
145.06105	1.4
145.10071	2.6
147.04382	1.5
147.08017	1.6
147.11627	4.7
148.05104	5.1
149.05942	93.2
151.03871	7.8
151.07529	6.2
153.05443	6.2
153.09068	23.8
153.12672	1.6
159.11549	1.7
161.05939	8.0
161.13168	1.5
162.03120	1.4
163.03845	1.5
163.07495	27.7
166.06219	5.3
167.06990	7.2
173.13043	1.7
175.07484	2.2
177.05426	38.7
177.10283	1.5
178.05997	1.7
179.06993	2.2
180.35744	1.6
181.08543	47.3
189.09035	2.5
191.06972	2.2
193.15846	5.1
201.12206	1.4
205.04887	1.9
206.05621	1.4
207.06584	1.6
209.08029	100.0
210.08476	2.3
219.10092	2.9
221.05890	1.6
223.04189	9.9
315.04916	6.3
324.25958	1.8
325.12729	2.7
331.15350	2.1
343.13858	5.3
361.09100	31.0
460.18335	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10680	0.3
53.00245	0.5
53.03883	1.9
53.76120	0.3
55.01807	2.2
55.05447	3.4
55.83314	0.3
56.04978	0.7
57.03384	2.7
57.06998	0.6
60.04461	0.4
61.02845	2.5
65.03854	0.5
67.05431	4.6
69.03349	7.9
69.06988	5.6
70.06507	8.9
70.07318	0.4
71.04902	3.1
72.08067	3.5
73.02839	0.5
79.05399	4.1
80.61679	0.3
81.03328	2.4
81.06977	15.5
82.07299	0.6
83.04904	1.8
83.08533	0.8
84.04438	3.5
84.08075	7.6
85.02829	18.7
85.03345	0.6
85.06467	0.8
86.09625	5.5
86.48824	0.3
87.04419	0.9
88.03877	0.5
88.36973	0.3
91.03839	0.5
91.05403	19.6
92.05704	0.4
92.64532	0.5
93.06968	8.4
94.04092	0.8
94.07291	0.8
95.04899	8.9
95.08535	9.3
96.08865	2.0
97.02827	5.1
97.06454	2.4
98.64643	0.4
99.04410	0.6
102.05466	0.6
103.05405	5.0
105.06973	7.3
107.04892	5.8
107.08542	5.5
108.08865	0.7
109.02819	1.4
109.06466	6.1
109.10096	6.8
109.18915	0.4
110.07108	3.0
110.10444	0.8
111.04379	1.6
111.08001	0.9
111.11611	0.4
111.90244	0.3
115.05406	1.5
116.06212	0.4
116.98582	0.6
117.06979	1.7
119.04895	14.9
119.08541	3.2
120.08057	3.9
120.56305	0.4
121.06474	5.5
121.10092	5.4
122.03596	2.6
123.04365	0.5
123.08031	0.8
123.11651	5.5
124.12003	0.7
127.03873	2.3
127.11160	0.5
128.06189	2.1
129.06963	11.0
129.10204	3.1
131.04887	9.0
131.08521	2.4
133.06461	2.5
133.10097	2.1
135.08029	5.9
135.11685	3.4
136.05148	2.2
136.07556	0.6
136.12044	0.4
137.05956	76.8
137.13266	2.8
138.06302	2.1
138.13608	0.6
139.07549	0.4
139.11147	2.9
141.07011	0.5
143.04893	0.9
145.04880	0.9
145.06499	3.7
145.10086	0.9
146.07211	0.7
147.04359	1.9
147.07973	0.6
147.11647	2.2
148.05168	1.6
148.11998	0.5
149.05954	12.2
149.13254	0.6
150.06648	0.4
151.04012	3.0
151.07521	82.0
152.06194	0.5
152.07867	0.8
153.12724	2.5
157.06471	11.8
159.07973	0.5
159.11583	0.6
160.05115	0.5
160.11958	0.4
161.05946	13.5
161.09570	2.9
161.13277	1.3
162.06522	0.6
163.03882	0.7
163.07503	22.1
164.08145	0.8
165.06963	3.6
165.09077	5.2
165.12724	0.9
166.07742	0.8
167.07007	2.4
167.08530	7.8
169.06467	0.5
174.06735	6.8
175.07495	7.8
176.08246	0.7
177.05522	0.7
177.09079	6.7
178.07768	2.0
179.07028	0.7
179.08440	0.6
181.04982	0.4
181.06444	1.6
181.10025	0.8
181.12318	0.4
182.07253	0.6
184.08839	0.5
187.07492	2.0
187.14586	0.5
189.09068	26.4
190.09537	0.5
192.09277	0.4
193.06447	4.7
193.08508	0.6
193.10068	5.6
194.07167	1.7
195.08023	19.9
195.09868	0.8
196.08694	1.5
197.05939	1.8
197.09601	1.5
199.11073	0.6
201.09087	0.5
201.16306	0.6
202.07751	0.4
203.08531	1.7
205.06384	0.6
205.43684	0.4
206.07242	0.6
207.08173	0.9
207.10147	3.9
209.05984	0.7
209.09628	3.2
210.06693	2.9
211.07607	2.1
212.08313	3.5
213.16167	0.4
219.08144	1.3
219.10114	0.6
220.08733	1.7
221.06038	7.6
221.09560	9.1
221.11589	0.7
222.06685	0.5
223.07477	8.0
224.08228	2.9
225.05489	0.6
225.09093	8.8
227.10620	27.8
228.10760	1.3
231.08081	0.5
234.06781	0.6
235.07535	0.7
235.11169	0.5
237.09093	2.3
238.06175	2.1
238.09795	0.9
239.06964	1.7
239.10724	0.7
240.07811	2.8
241.08344	0.6
241.12146	0.5
242.09338	0.4
249.08971	4.3
252.07828	0.9
253.08539	11.6
253.12190	13.4
254.09003	0.6
255.10074	24.4
256.10831	0.5
265.08408	0.5
266.09189	0.7
267.10019	5.1
269.08005	4.2
269.11545	1.8
270.08801	1.9
272.10437	3.0
281.11655	4.4
282.12280	0.6
284.10349	0.9
285.11151	16.6
286.11462	0.6
287.12708	33.8
288.13074	0.6
288.24216	0.5
293.11652	0.7
297.11304	1.8
298.11685	0.5
299.12762	2.5
301.14404	0.7
305.24762	2.2
306.24832	0.7
311.12708	0.6
313.14273	20.9
314.14569	0.7
324.26208	0.5
325.14233	0.5
331.15335	100.0
332.15646	4.6
343.15311	3.7
535.00671	0.4
541.29816	0.5
544.77576	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00245	0.3
53.03896	0.3
54.31509	0.2
54.58721	0.2
54.82163	0.3
55.01814	1.2
55.05450	1.3
56.04977	0.6
57.02760	0.3
57.03375	0.4
57.60419	0.2
61.02861	0.5
61.08791	0.2
63.71330	0.2
67.05434	2.1
67.73189	0.3
69.03362	2.5
69.06983	2.2
70.06509	6.6
71.04900	1.3
72.08068	2.4
73.02842	0.3
75.80670	0.3
76.02181	0.4
76.34009	0.2
79.05406	3.0
81.03344	1.1
81.06973	4.6
82.07307	0.3
83.08532	0.3
84.04427	2.1
84.08068	3.8
85.02830	5.6
85.06487	0.3
86.03170	0.3
86.09641	4.8
87.04375	0.4
91.05405	6.8
92.10149	0.3
93.06953	3.0
94.04100	1.4
94.07358	0.3
95.04910	1.7
95.08545	3.2
96.08884	0.3
97.02827	1.9
99.04421	0.3
102.05483	0.4
103.05408	10.0
105.06978	3.7
107.04888	2.9
107.08534	2.2
109.02842	0.4
109.06446	2.2
109.10130	2.5
110.07138	2.5
110.10494	0.3
111.04413	0.5
111.08054	0.5
115.05405	1.7
115.08636	0.3
116.06094	0.3
116.07024	0.3
116.98592	0.3
117.06978	4.2
119.04898	4.3
119.08544	1.5
120.05692	0.3
120.08060	2.6
120.08818	0.4
121.06437	1.9
121.10078	1.2
122.03598	4.1
123.08032	1.5
123.11659	1.4
125.05948	0.4
128.06213	1.3
129.06979	3.4
129.10193	2.0
131.04903	23.5
131.08543	3.3
132.05290	0.4
133.06453	1.6
133.10072	1.2
134.10509	0.3
135.04491	0.3
135.08005	2.5
135.11641	1.2
136.05122	0.5
136.07591	0.5
137.05956	71.0
138.06325	2.8
141.06950	0.5
142.07785	0.3
143.04878	0.4
143.08546	1.6
145.06436	1.3
145.10104	0.4
146.03581	0.3
146.28671	0.3
147.04358	0.5
147.08090	0.3
147.11671	0.5
149.05971	2.8
149.09636	0.4
151.03922	0.6
151.07524	19.0
152.07915	0.5
153.05463	0.5
153.12665	0.5
157.06442	3.2
157.10011	0.3
158.07294	0.5
159.08038	3.1
159.11681	0.3
160.05190	0.4
161.05966	4.9
161.09621	0.5
162.06752	3.2
163.07512	32.6
164.07860	1.2
165.06889	0.4
165.09087	0.4
167.07135	0.5
167.08540	1.8
171.08006	1.2
173.13156	0.3
174.06760	3.7
175.07507	7.5
176.07867	1.0
177.09076	100.0
178.07903	0.4
178.09395	2.4
179.08434	0.4
181.06465	0.3
181.08560	0.5
186.06731	0.3
187.07381	0.4
188.08194	0.3
189.09087	11.4
190.09384	0.4
191.08479	0.3
191.10568	0.7
193.06509	0.5
193.10097	1.1
195.08031	3.7
195.10135	1.8
199.07367	0.4
201.09142	2.6
203.08551	0.4
203.10559	0.7
205.06525	0.4
207.08168	0.3
207.10077	0.4
209.09636	0.5
210.06714	0.6
212.08218	0.7
217.23039	0.3
221.06004	0.9
221.09561	1.8
221.11642	10.3
222.06689	0.4
223.07480	1.4
224.08308	0.3
225.09048	1.8
227.10664	4.2
233.09473	0.6
234.06728	0.4
235.07518	1.2
237.08862	0.5
237.61220	0.3
238.06128	0.5
239.10461	0.4
240.07747	0.5
249.09021	0.5
250.06325	0.5
251.10681	0.3
252.07823	0.5
252.24745	0.3
253.08514	2.2
253.12170	2.5
255.06355	0.3
255.10063	3.9
260.08237	0.4
261.09085	1.1
265.08524	1.6
265.11517	0.3
267.10086	1.4
268.07288	0.3
269.07864	1.2
278.09268	0.7
281.11725	0.5
283.09485	0.4
285.11108	2.7
287.12759	3.8
293.11612	1.2
297.11035	0.5
299.12564	0.5
305.24854	0.6
311.12643	1.8
313.14236	3.2
325.14203	2.4
331.15329	11.2
341.26813	0.4
343.15329	2.1
541.29529	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37770	1.3
55.01807	2.0
55.05447	3.3
56.04967	3.0
57.03358	2.6
60.04457	2.2
61.02856	1.9
61.18176	1.5
65.03851	2.2
67.05412	3.8
69.03339	7.5
69.06985	3.5
70.06514	44.8
70.17104	1.5
71.04900	2.2
72.08069	16.7
79.05408	6.6
81.06965	12.0
83.08500	2.1
84.04441	12.7
84.08057	24.1
85.02805	9.9
86.09618	34.5
88.03870	2.0
91.05400	42.3
93.06942	8.6
95.04890	9.7
95.08526	7.2
99.45330	1.8
102.05525	2.3
103.05397	27.4
105.03344	8.9
105.06978	9.3
107.04891	25.1
107.08529	3.4
109.06446	12.2
109.10081	2.5
110.07133	19.5
112.40379	1.7
117.06946	7.6
119.04898	45.0
119.08540	2.3
120.08059	19.2
121.06455	4.1
122.03581	2.7
123.08011	3.2
124.05155	1.8
129.06937	3.9
129.10243	13.1
130.06459	2.0
130.20906	2.0
131.04898	41.4
133.06442	3.1
135.04395	2.0
135.08017	8.9
136.07521	3.6
137.05949	82.2
138.06267	2.6
145.06421	2.5
147.04337	3.7
149.05949	9.7
151.03983	1.8
151.07513	56.6
157.06445	2.9
159.08002	2.8
159.09224	2.3
161.05960	12.8
162.06586	2.1
163.07495	58.4
164.08250	9.8
167.07027	2.2
167.08459	3.0
174.06673	1.8
175.07498	10.4
177.09071	100.0
179.06993	10.4
189.09033	10.4
193.10051	2.9
195.07957	9.9
209.09570	2.2
212.75745	1.6
219.10107	6.7
221.05952	3.3
221.09579	3.8
221.11668	12.0
223.07489	3.9
224.08058	2.0
225.09174	2.2
227.10565	13.4
241.08760	1.9
253.08527	8.4
253.12131	3.5
255.09909	12.7
281.11655	2.2
285.11136	7.5
287.12680	12.4
313.14267	8.9
331.15378	31.1
336.11899	2.6
343.15201	7.3
539.29407	1.8
541.29663	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	540.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	29.4
56.04970	3.3
57.03374	30.5
59.04918	3.5
60.04453	2.7
62.69484	2.5
64.33122	2.8
64.33414	2.6
67.05424	30.7
69.03008	5.6
69.03350	98.8
69.06985	27.4
70.06510	34.2
71.04891	4.7
72.08053	4.3
75.04398	3.7
75.10335	2.6
79.05395	12.3
81.03336	4.0
81.06976	60.3
83.04878	4.5
83.08528	6.1
84.04410	4.3
84.08055	19.7
85.02821	82.3
86.09619	30.1
87.04394	47.3
91.05399	16.2
93.06969	23.1
95.08533	100.0
97.02818	72.8
97.06444	3.2
97.10075	12.2
103.05396	4.9
105.06953	19.8
107.04899	3.4
107.08555	21.3
109.10093	39.5
110.07104	12.3
111.04324	4.3
115.03878	38.1
119.08533	21.2
120.08022	21.2
121.10100	7.2
123.07999	4.6
129.10211	4.9
131.04901	7.2
133.04930	40.7
133.10100	34.5
135.08005	4.7
135.11674	7.1
137.05983	5.8
137.09535	5.6
145.04987	3.0
145.10109	3.0
147.11659	11.5
149.13229	19.5
150.07533	4.9
151.14795	68.2
163.07512	4.0
175.14787	69.5
190.51866	2.9
193.15826	86.3
211.16876	41.7
215.76105	3.0
229.17912	19.2
540.27667	5.5
541.29211	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	541.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12884	0.9
51.88085	0.9
52.20858	1.0
55.05432	2.4
56.04964	5.7
60.04442	2.7
67.05400	1.7
67.25437	1.0
67.36523	0.9
69.03337	6.3
69.06987	4.2
70.02867	2.3
70.06503	58.3
71.04894	1.8
71.06824	1.9
72.08067	18.0
74.05990	1.8
77.71011	1.0
79.05418	2.4
81.03320	5.2
81.06955	2.2
84.04420	24.3
84.08063	51.4
84.08527	1.7
85.02816	8.8
85.08378	1.1
86.09622	27.3
87.05529	1.5
91.05397	8.8
93.06934	1.4
95.06075	1.6
95.08506	1.5
95.54716	1.2
97.02837	4.1
98.05984	1.2
101.07061	2.1
101.64698	1.2
102.05486	5.8
103.05445	1.9
105.06972	5.2
107.04885	1.6
107.08533	13.0
108.08855	1.6
109.02863	2.0
109.06469	1.7
110.07115	12.7
112.08678	1.1
114.05535	1.2
115.05369	1.1
115.08630	2.5
116.07038	7.3
117.06965	2.5
120.08057	10.6
127.03885	2.4
129.10193	51.6
130.04991	1.3
131.04913	1.3
135.08008	41.1
136.07481	11.5
136.08392	6.7
137.05962	4.3
148.06096	1.6
155.08183	1.8
161.05920	1.1
163.07486	10.3
164.07974	2.2
169.13376	4.5
181.08574	4.1
182.08902	1.6
185.04190	2.4
197.12790	4.1
197.16452	1.2
200.13962	4.4
219.06290	1.4
219.10172	4.2
233.25319	1.6
234.08444	13.6
235.09360	2.4
269.06354	1.2
284.91272	1.3
307.11591	1.3
325.12842	4.2
329.08374	4.3
343.13953	1.9
372.66226	1.2
408.26028	2.3
423.48651	1.2
426.27023	6.6
479.18857	2.5
481.16306	2.6
487.18179	1.5
541.18750	100.0
542.19293	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82154	0.1
55.83585	0.1
56.04964	0.1
60.04461	0.2
67.05422	0.1
69.03339	0.2
70.06510	2.1
70.63595	0.1
71.05307	0.2
72.08064	0.9
74.02354	4.6
74.05967	0.2
84.04428	0.6
84.08067	1.7
85.02818	0.6
86.06036	0.1
86.09625	0.6
88.03931	0.2
91.05404	0.3
97.02847	0.1
98.97517	0.1
110.07111	0.6
115.05354	0.2
117.05634	0.2
117.06912	0.3
123.04424	0.3
127.03909	0.2
129.10216	1.0
130.06479	1.3
131.04884	0.2
132.08070	1.3
136.07451	0.2
137.05946	0.2
143.07278	0.9
144.08066	100.0
145.06509	0.3
145.08409	2.4
146.05962	0.3
149.22659	0.2
156.08138	0.5
171.09126	1.8
172.09555	0.2
173.10701	0.8
175.04034	0.2
183.74919	0.2
188.07053	0.9
200.06926	0.2
217.09691	24.2
218.10031	0.2
399.43927	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55341	7.9
60.55297	10.7
67.05421	22.8
72.04430	22.8
76.55959	11.3
78.03686	12.4
81.06940	18.4
89.05946	21.9
95.08527	22.1
99.32291	11.1
102.03719	13.8
116.16825	10.4
128.05093	10.8
142.08653	13.7
259.09457	17.2
329.77835	11.2
341.17142	64.4
389.50662	10.8
409.23352	75.7
411.30240	28.3
414.85788	13.4
435.28009	12.7
463.28015	17.6
478.30542	100.0
523.35193	15.7
528.55243	11.6
541.29041	84.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00227	0.7
53.03880	1.3
54.81702	0.6
55.01805	2.6
55.05451	12.8
56.04963	2.8
57.03370	3.2
57.07017	4.7
59.04932	2.4
60.04459	1.0
60.06406	0.5
61.01099	0.7
64.33464	0.7
65.75250	0.6
67.05075	1.3
67.05426	27.4
69.03341	10.2
69.06985	42.1
69.43243	0.6
70.06137	1.1
70.06509	28.5
71.04913	8.3
71.06837	0.7
72.08074	11.3
73.02831	0.6
74.05981	1.0
79.05411	12.1
81.03335	3.3
81.06973	71.3
82.07300	0.7
83.04893	2.6
83.06026	1.2
83.08538	9.8
84.04424	7.3
84.08059	15.3
85.02825	11.7
85.06470	10.3
86.09622	14.2
87.05534	1.0
88.03913	1.3
91.05400	12.1
92.05759	0.8
93.03335	1.6
93.04472	0.7
93.06969	37.6
95.04900	5.9
95.08532	43.2
97.02814	4.0
97.06467	11.3
97.10119	4.5
98.97500	1.0
99.04416	1.2
99.08016	8.1
102.05472	1.2
103.05400	3.8
105.04481	0.7
105.06975	21.8
106.04113	5.1
107.04912	3.5
107.08531	40.5
108.08891	0.9
109.06452	3.9
109.10101	100.0
110.07127	9.6
110.10443	1.4
111.08020	15.1
111.11645	3.3
112.08738	0.8
115.07490	1.1
116.07076	0.9
117.06982	1.2
119.04859	1.1
119.08533	14.1
120.08051	7.0
121.06443	6.2
121.10089	20.5
122.03580	0.9
122.06782	1.4
123.11648	24.9
123.12493	1.3
125.06007	1.2
125.09566	2.6
125.13241	0.8
125.29406	0.6
127.03877	1.3
127.11152	1.6
129.10226	7.6
130.04955	1.1
131.04892	5.6
131.08505	3.1
133.06425	4.0
133.10098	8.9
135.08038	5.0
135.11653	21.9
136.07527	4.4
137.05957	31.6
137.09586	27.9
137.13197	4.8
137.85664	0.6
139.11150	17.6
141.10193	0.8
145.10115	4.8
147.11664	16.8
149.05994	5.6
149.13245	8.5
150.06351	3.0
151.03806	0.7
151.07542	1.6
151.11113	3.0
151.14781	0.7
153.05457	2.7
153.09099	1.3
153.12726	26.3
154.09431	1.1
155.10646	3.9
157.06474	0.9
159.07982	1.1
159.11636	3.8
161.13229	6.4
163.07504	9.0
163.14763	6.6
165.05334	0.7
165.09081	16.9
165.12720	8.6
167.06996	1.3
171.07945	0.7
171.13707	4.7
173.13200	3.2
174.06731	1.0
175.07043	0.8
175.14767	4.3
177.05406	1.2
177.09061	6.7
177.16341	5.0
178.05789	0.8
181.08562	2.9
182.08905	1.2
183.10060	1.1
183.13689	1.0
185.04135	0.7
187.14607	0.9
189.09024	3.9
189.16379	2.7
190.09462	1.2
195.37863	0.7
201.11046	6.1
201.16397	1.1
203.10771	0.9
203.17892	8.6
203.83556	0.7
205.04704	3.6
209.08026	5.9
210.08453	3.2
215.17970	2.5
219.10138	6.8
220.10451	5.6
221.11734	0.8
221.18988	7.1
233.18907	0.9
234.08582	2.8
237.02574	0.7
239.20044	5.5
271.24063	4.5
277.25293	2.8
289.25226	11.4
295.13202	2.5
295.26318	5.7
307.26233	24.4
308.26663	0.9
309.13190	0.8
313.27313	1.0
319.78738	0.7
325.23703	1.3
325.27298	21.6
326.27460	0.8
327.15543	2.9
329.08154	0.9
343.28387	17.1
344.28769	0.9
345.15527	7.3
361.29507	4.7
379.30493	0.9
479.18900	1.2
481.16684	1.4
541.18573	31.4
541.26172	7.1
542.19006	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	541.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00243	1.9
53.03879	3.9
55.01810	6.3
55.05442	13.4
56.04967	3.5
57.03368	4.3
57.07010	9.3
59.04927	4.3
60.04459	1.3
61.02834	0.8
66.02435	0.9
67.01795	1.8
67.05070	1.5
67.05427	38.8
69.03351	18.0
69.06987	31.0
70.06505	36.7
71.04906	20.4
71.05264	1.1
71.06851	1.4
71.08541	2.1
72.08077	11.7
73.02822	1.7
73.06450	0.9
74.05983	1.6
79.05403	13.3
81.03333	25.2
81.06972	100.0
83.04906	1.6
83.08527	9.1
84.04447	6.5
84.08073	13.6
85.02827	12.3
85.06461	11.4
86.09623	16.6
88.03921	1.4
91.05399	10.1
93.06973	39.3
94.07281	0.8
95.04887	8.0
95.08530	82.6
96.08852	1.4
97.02820	14.5
97.06475	8.0
97.10099	4.6
99.04377	21.1
99.08032	6.0
102.05486	3.3
103.05386	4.2
105.06972	17.5
106.57761	0.8
107.08533	36.8
109.02827	83.0
109.06472	4.6
109.10101	81.3
110.07114	6.2
110.10417	1.1
111.04387	1.3
111.08032	18.0
111.11661	4.5
112.60666	0.8
113.05928	1.5
116.07041	0.9
117.06977	1.6
119.08535	14.1
120.08068	7.6
121.10093	20.1
122.03584	0.9
123.08014	1.9
123.11650	59.9
124.12025	1.4
125.06005	0.9
125.09565	1.9
127.03877	38.0
127.07518	1.5
127.11143	4.7
129.05440	0.8
129.10219	6.8
130.06497	1.3
131.04901	7.2
131.08517	1.5
132.08038	1.0
133.06447	4.4
133.10081	8.0
135.08040	5.3
135.11652	17.4
136.07545	1.8
137.05957	33.1
137.09589	92.4
137.13210	26.7
139.11145	5.6
141.12650	2.1
143.08534	1.0
145.04944	3.8
145.10100	3.6
147.07863	1.0
147.11650	12.9
149.13229	19.6
151.03917	1.3
151.07526	3.4
151.11162	4.4
153.12712	10.7
155.10649	3.8
159.09167	1.2
159.11668	5.5
159.27945	0.9
161.13260	3.6
163.07501	16.3
163.14813	5.0
165.09070	58.9
165.12703	6.1
166.08679	0.9
167.07030	3.5
171.07918	1.3
171.13786	0.9
173.13216	3.7
175.07509	1.5
175.14824	4.3
177.09064	23.6
183.10155	4.3
189.16339	2.1
191.17963	1.5
201.09435	1.2
201.11098	8.2
201.14728	2.8
203.17955	4.4
208.55875	0.8
215.17950	2.1
221.11700	4.3
221.19009	3.3
225.18401	1.2
233.18977	3.4
237.18486	3.2
237.22156	1.8
239.20020	3.6
251.19875	7.1
255.12221	1.2
259.24265	1.2
269.21106	1.9
271.24146	1.7
277.25211	13.5
279.12183	1.6
289.25201	12.2
291.12128	6.6
295.13324	1.0
295.26013	6.4
307.26242	35.5
308.26453	1.1
309.13159	1.6
325.23666	1.4
325.27289	12.1
327.14328	8.0
343.28406	1.9
345.15384	17.5
361.29495	3.8
493.67410	0.9
541.29535	5.2
554.78485	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01805	5.7
55.05446	10.4
57.06996	5.7
61.01077	23.5
67.05423	62.2
69.06979	16.3
69.81010	2.4
69.85413	2.3
71.08528	2.5
72.04423	57.3
73.02835	2.4
74.38639	2.2
75.82597	2.6
78.03703	44.5
79.05395	14.8
81.06971	56.6
81.44888	2.5
83.08532	12.7
86.05962	3.5
88.02148	12.7
89.05949	5.0
91.05398	5.3
93.06963	11.7
93.63638	2.4
95.04906	4.2
95.08527	41.9
99.05532	2.6
102.03699	57.5
103.02108	3.9
103.66028	2.3
107.08561	9.1
109.10099	14.1
113.05935	4.1
114.03693	16.2
119.08524	3.1
120.04742	11.2
121.10121	3.3
123.11673	5.0
131.06335	23.8
132.04742	38.0
135.11621	2.9
142.08620	13.4
149.07413	81.7
149.13356	2.3
157.24426	2.6
166.59251	2.5
174.60706	2.8
184.09601	4.6
261.12564	4.5
292.26233	3.1
334.27283	24.6
341.17081	11.7
409.23434	13.5
411.30307	100.0
477.90079	2.7
478.30307	12.9
523.35254	44.9
540.52881	4.1
541.28839	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	541.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17043	6.7
53.03890	7.0
53.32952	5.2
55.05453	13.3
57.03365	7.9
63.73536	5.8
67.05421	98.7
68.16819	6.1
69.03339	29.4
69.06986	26.6
79.05404	35.0
81.03344	59.4
81.06963	100.0
83.08534	10.1
85.02814	11.3
88.92712	6.3
89.05956	7.9
91.05423	16.2
92.10262	20.5
93.06979	48.7
95.04923	11.2
95.08536	80.5
97.02829	26.1
97.10093	7.8
105.06985	12.9
107.08542	14.5
109.02817	12.5
109.10127	23.7
119.08548	13.9
121.10062	15.6
123.11681	11.1
127.03879	12.7
133.10045	10.3
148.57771	6.6
179.17747	6.5
223.79079	6.5
245.77831	6.1
263.23776	12.6
292.70221	7.5
367.94672	7.2
371.25674	16.3
389.26767	11.4
407.28024	11.1
526.63574	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	542.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	5.9
55.01807	5.5
55.05443	6.1
56.04975	0.8
57.03379	1.1
57.07003	2.8
59.04929	0.9
60.04447	1.1
61.02850	0.6
67.01778	2.5
67.05075	0.8
67.05425	19.3
69.03341	11.5
69.06991	8.2
70.06508	18.1
71.04914	8.3
72.08070	5.5
73.02823	1.0
73.35635	0.6
73.79238	0.5
74.05994	1.0
74.38695	0.4
79.05405	6.5
81.03336	30.8
81.06973	36.5
82.07313	2.9
83.05965	0.5
83.08527	2.8
84.04442	3.9
84.08060	10.6
85.02822	11.3
85.06464	3.8
86.09629	8.8
91.05416	4.5
93.06974	12.1
94.07300	0.7
94.38581	0.6
95.04882	4.9
95.05971	0.7
95.08530	27.6
96.08845	2.8
97.02821	15.1
97.06477	2.9
97.10094	0.9
99.04386	24.3
99.08026	2.2
102.05470	1.0
103.05399	3.2
105.06985	6.2
107.04877	0.9
107.08543	12.8
108.08876	0.9
109.02825	85.3
109.06494	3.3
109.10104	58.2
110.07145	4.0
110.10469	2.2
111.04376	1.0
111.08034	6.0
111.11619	1.0
119.08514	6.4
120.08063	4.9
121.10075	5.0
122.03625	0.7
123.11655	16.7
124.12009	2.4
125.06002	0.6
127.03868	37.8
127.08562	0.6
127.11126	0.9
128.06194	0.6
129.10197	4.8
131.04880	6.7
133.06464	4.1
133.10078	2.4
135.08015	3.1
135.11620	4.5
136.07559	1.1
137.04881	0.8
137.05952	28.8
137.09589	100.0
137.13173	8.4
138.13586	0.9
145.04942	3.0
145.06497	0.7
145.10068	1.1
147.11647	3.8
149.13225	5.2
151.07480	2.6
153.12711	2.4
155.10667	5.3
155.14240	0.6
157.06352	0.7
159.09134	1.0
159.11682	1.1
161.13271	0.6
163.07506	14.3
163.11153	0.7
165.09076	66.9
166.09445	0.6
167.07042	1.1
171.07980	0.8
175.07443	1.2
175.14796	0.6
175.69176	0.7
177.09064	24.6
177.16431	0.7
183.10138	3.5
189.08914	0.8
189.16470	0.6
195.10051	0.8
201.11159	7.5
203.10695	0.8
203.17958	0.8
213.14854	3.2
216.52480	0.7
221.11674	3.8
221.18977	0.8
239.19983	0.7
255.12253	2.9
277.25223	1.4
279.12152	3.8
289.25137	2.3
290.25693	0.9
291.12216	7.4
295.13260	1.3
295.26208	0.9
307.26312	6.7
308.26437	3.1
309.13254	5.2
325.27225	1.1
326.27594	1.0
327.14218	10.3
334.63040	0.6
345.15311	20.5
487.59598	0.7
513.35291	0.7
541.29669	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02299	0.2
53.03896	0.2
55.01796	0.3
55.05449	0.3
55.36950	0.1
56.04944	0.2
57.03359	0.8
58.13401	0.1
60.04463	0.2
60.44783	0.1
61.02840	0.7
66.04613	0.1
67.05418	0.4
67.55637	0.2
69.03352	2.0
69.06979	0.8
70.06507	3.4
71.04896	0.3
72.08066	1.1
73.02823	0.4
76.56572	0.2
77.03780	0.2
79.05396	1.4
80.98471	0.2
81.03335	1.2
81.06969	2.1
84.04431	0.8
84.08054	1.3
85.02823	6.7
85.06458	0.3
86.09623	1.2
87.05493	0.2
91.03871	0.2
91.05400	2.5
92.10952	0.2
92.64311	0.2
93.06971	0.8
94.04113	1.9
95.04882	0.4
95.08534	1.4
97.02825	1.8
97.06451	0.4
99.04375	0.3
99.08028	0.2
103.05400	6.2
105.06971	4.4
107.04890	1.7
107.08524	0.9
108.08761	0.2
109.02850	0.7
109.06459	1.3
109.10088	1.4
110.07092	0.7
111.08026	0.6
115.03951	0.2
115.05361	0.6
117.06976	1.1
119.04910	0.6
119.08523	0.6
120.08088	0.3
121.06461	2.4
121.10066	0.7
122.03589	5.9
123.07979	0.4
123.11641	0.6
127.03837	0.6
128.06158	0.9
129.06934	0.8
129.10191	0.6
131.04890	9.0
131.08521	0.3
132.05183	0.2
133.06451	14.2
133.10124	0.2
134.06790	0.2
135.08014	6.4
135.11650	0.2
136.05006	0.2
137.05946	100.0
138.06279	2.4
143.04918	0.2
143.08530	1.8
145.04858	0.3
145.06462	3.4
147.08028	1.0
147.11624	0.6
149.05946	0.7
151.07497	4.7
153.06911	0.2
157.06432	1.4
159.08012	0.2
160.05122	0.3
161.05901	0.2
162.06670	0.2
163.07503	22.3
164.07849	0.3
165.09073	0.7
166.88889	0.2
171.08020	2.3
174.06750	1.1
175.07463	1.9
177.09071	0.9
187.07433	0.3
188.08296	0.9
189.09045	2.7
202.07811	0.2
203.10606	4.0
203.17967	0.3
217.10114	0.3
231.75697	0.2
235.11095	1.1
239.20081	0.2
245.09518	0.3
248.08391	0.2
263.10577	1.7
289.25238	0.2
295.13211	7.5
296.13568	0.4
307.25967	0.5
327.15839	12.9
328.16235	0.8
343.28415	0.2
345.16849	1.5
374.99103	0.2
544.11475	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.317
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81567	2.6
55.05444	19.0
57.03361	15.9
59.04937	3.0
69.03339	3.6
69.06988	18.7
70.06510	27.3
70.78270	2.8
71.04906	82.6
72.08066	4.2
72.53718	2.2
75.57871	2.3
81.03307	2.4
81.06982	11.7
83.04902	19.3
83.08543	15.6
84.04429	11.9
84.08070	19.3
84.64542	2.8
85.02340	5.3
85.02824	100.0
86.09612	22.5
87.04409	4.3
92.10980	5.2
93.06974	3.9
95.04877	2.8
95.08537	12.7
97.02828	5.9
97.10114	15.6
99.04379	3.9
107.08517	13.5
109.10109	3.6
110.07096	13.0
111.04369	10.9
111.08057	14.4
120.08072	3.9
121.10088	2.7
123.11609	3.0
129.05417	19.5
129.10156	3.9
135.08118	3.0
137.05913	3.9
145.05042	2.8
147.06482	5.0
163.14738	20.0
164.09242	3.0
181.15790	24.8
199.16896	55.5
348.33136	3.6
542.30188	4.9
543.31085	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	542.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99693	1.0
55.05439	5.3
57.06736	2.3
57.07010	57.9
59.06043	1.2
60.05568	0.9
61.82173	0.8
69.06980	1.9
71.08545	28.8
73.06460	9.0
83.08539	2.1
85.10098	22.5
87.04382	7.3
89.05951	100.0
97.10077	1.1
99.11665	4.4
107.07001	8.2
117.09087	2.0
133.08549	30.8
134.08989	1.0
155.17957	2.2
177.11177	12.7
199.20502	1.1
221.13722	1.6
243.23122	8.0
283.17419	1.9
287.25760	5.6
327.19907	1.9
371.22815	5.9
403.91034	1.2
459.59320	1.2
525.39844	16.4
542.42181	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81305	0.7
54.96192	0.6
70.85441	0.7
78.39091	0.7
79.89806	0.7
84.89853	0.6
88.74833	0.6
136.06166	1.2
184.18205	0.8
363.06821	3.4
381.07797	9.9
543.13159	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81845	0.7
73.13810	0.6
74.12299	0.6
82.12605	0.7
99.43338	0.7
109.14362	0.6
163.69453	0.6
192.82913	0.8
211.99704	0.6
295.72833	0.7
344.70377	0.8
363.06909	1.1
381.07755	9.7
468.38486	0.8
543.13110	100.0
544.13452	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	543.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62642	1.1
55.05439	5.8
56.04973	2.7
57.02255	1.1
57.03369	1.9
59.24339	1.0
67.05421	2.5
69.03335	5.6
69.06982	5.3
69.38886	1.1
70.06509	24.3
71.04902	6.8
72.08053	10.8
74.05997	1.5
75.61713	1.1
79.05406	5.7
81.03345	2.4
81.06961	10.3
84.04428	10.6
84.08055	14.8
85.02822	23.6
86.09623	18.3
88.03916	2.4
91.05413	6.2
93.06947	8.8
95.04931	2.7
95.08524	8.3
97.02836	5.2
97.06474	1.8
102.05466	1.4
103.05384	1.6
105.06984	14.2
107.08521	12.4
109.06435	2.6
109.10098	7.2
110.07092	5.9
113.07098	1.5
119.08547	10.3
120.08016	11.3
121.06418	1.6
121.08410	1.3
121.10093	5.4
123.08036	9.1
127.03922	1.9
129.06929	1.6
129.10172	8.2
131.08534	5.3
133.10109	11.6
135.08023	6.3
136.07611	1.3
137.05919	3.0
143.08536	5.5
145.04926	1.8
145.10121	5.4
147.08031	1.7
147.11659	5.1
149.09601	1.6
157.10075	2.8
159.11662	8.8
161.09564	8.6
167.06993	2.5
171.11592	1.8
173.13148	1.6
175.11131	2.8
175.14825	2.5
177.12767	5.3
181.08508	1.6
199.14781	6.3
217.15822	15.3
225.87839	1.8
235.16869	100.0
252.54065	1.4
321.63306	1.3
397.22180	2.5
443.38324	1.3
542.30286	1.9
543.23840	11.1
543.31140	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	543.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45767	2.0
55.01811	2.8
55.05454	22.7
57.07002	10.1
61.01075	19.3
61.28896	1.9
67.05422	22.2
67.57547	1.6
69.06982	31.2
72.04430	55.6
78.03709	43.5
79.05418	10.1
81.06972	22.9
83.08542	19.3
85.06448	3.3
88.02127	8.7
92.10877	6.2
93.06964	8.8
95.04855	2.3
95.08524	21.3
97.10105	13.2
99.05527	4.7
102.03707	58.5
103.02140	4.5
107.08527	8.5
108.73721	2.1
109.10086	12.9
111.11678	2.6
114.03696	10.1
120.04765	9.7
121.10083	15.1
123.11604	2.1
124.07548	4.2
131.06320	24.3
131.09486	2.1
132.04773	30.3
132.17883	1.9
135.11635	11.2
137.13309	2.6
142.08595	8.3
149.07408	73.0
169.22968	2.2
184.09686	3.1
244.14177	2.1
261.12631	13.6
265.25262	5.1
283.70386	2.2
291.95978	2.0
294.27875	15.9
336.28857	36.5
337.28998	2.6
413.31888	100.0
414.32205	4.4
442.17334	2.4
523.38641	2.4
525.36908	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	13.5
55.01820	4.0
55.05449	47.0
57.03368	7.6
57.07005	25.8
63.87834	3.8
67.05431	48.6
69.03349	55.9
69.06985	66.6
71.04919	7.2
71.08536	6.1
73.02846	3.5
79.05388	29.9
81.03339	100.0
81.06980	58.9
83.08549	40.7
83.31334	3.0
85.02840	22.6
89.05935	5.2
91.05386	12.8
92.10249	7.6
93.06969	40.4
95.04882	4.1
95.08528	59.1
97.02812	46.2
97.10096	21.9
99.04381	17.4
105.06987	5.0
107.08536	19.4
109.02807	24.9
109.10077	30.0
109.83681	3.4
119.08553	4.8
121.06512	4.5
121.10100	29.1
123.11661	4.7
127.03880	21.5
131.08488	4.6
133.10112	4.9
135.11667	19.4
137.13153	3.9
145.10077	5.6
149.13223	5.1
163.14894	4.6
184.45239	3.7
200.61478	3.5
217.96667	3.4
220.49042	3.6
265.25198	21.1
309.47409	4.4
345.27924	4.7
373.27234	26.7
391.28247	36.6
400.53967	4.1
409.29407	47.1
496.73645	3.7
543.40234	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	544.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49471	0.3
53.03879	0.9
54.82388	0.4
55.01800	2.3
55.05434	1.6
56.04955	2.1
57.03361	2.5
58.54608	0.4
60.04458	1.3
61.02839	2.3
65.96323	0.3
67.05421	0.5
69.03064	0.4
69.03349	6.6
69.06979	0.5
70.02866	0.4
70.06139	0.8
70.06505	18.3
71.04903	0.4
71.06837	0.6
72.08064	7.4
73.02822	0.9
74.05983	1.8
79.05412	3.3
81.03341	5.5
81.04455	0.4
81.06971	1.8
83.06011	0.8
84.04424	5.1
84.08060	10.9
85.02822	17.9
85.08391	0.7
86.09624	9.2
88.03914	0.7
89.03837	0.6
91.05401	25.5
92.10299	0.5
93.06956	4.6
94.04104	0.7
95.04893	5.8
97.02814	7.6
98.06029	0.4
98.97504	0.7
99.04401	0.7
99.55113	0.4
101.07052	1.7
102.04595	0.4
102.05465	1.9
103.03873	0.7
103.05390	7.2
105.04468	0.6
105.06969	7.7
107.04882	5.9
109.02827	1.8
109.06461	9.2
110.07101	4.0
111.04382	0.4
115.05393	9.0
116.07057	0.5
116.98509	0.8
117.03313	0.6
117.06967	3.6
118.06482	0.7
119.04882	16.4
119.08553	2.1
120.08055	2.1
121.06452	12.3
122.03606	5.0
123.04369	2.4
123.08040	0.6
125.05888	0.4
127.03888	3.4
128.07816	0.4
129.06921	1.9
129.10207	6.4
130.04094	1.5
130.04965	0.7
130.06490	0.5
130.10542	0.6
131.04889	5.4
132.05670	0.8
133.02827	11.5
133.06448	6.3
134.99617	0.5
135.04395	3.9
135.07991	2.1
136.05191	0.9
136.07547	2.2
137.05946	100.0
138.06296	1.4
141.10172	0.9
142.00034	0.4
143.04883	9.7
144.05632	0.6
145.04898	0.7
145.06438	2.3
145.09679	0.9
146.03616	0.6
146.05988	0.5
147.04381	10.4
147.06256	0.6
147.08015	8.8
149.04773	0.8
149.05943	16.2
149.07127	0.7
150.06731	5.8
151.03909	0.9
151.07510	33.3
152.08089	1.8
155.04929	0.4
157.06502	0.6
159.04387	0.6
159.07970	0.7
160.05193	6.6
161.05917	12.4
162.06706	6.2
163.07520	6.8
163.93155	0.4
164.04694	0.5
165.05440	3.5
165.06805	0.6
165.09042	4.0
167.06990	19.2
169.06369	0.5
169.09674	0.4
173.05943	0.7
173.09322	0.7
174.06717	1.9
175.07495	61.6
176.04655	0.5
177.05405	2.1
177.09106	0.8
178.06261	0.6
178.07655	0.8
179.07002	8.4
179.08554	3.7
181.06430	1.8
181.08548	3.6
185.05965	0.5
187.07512	2.7
189.09082	2.1
191.06978	2.6
191.08537	1.5
193.08548	27.1
201.08946	0.7
203.06914	2.8
205.06798	0.5
205.08516	3.9
207.08032	5.4
208.08762	0.7
209.08017	0.5
210.10370	0.4
213.08984	0.7
215.06955	1.2
217.08528	2.1
219.08029	2.9
219.09981	0.7
223.07486	0.7
223.09541	0.5
224.08263	2.4
227.07053	0.5
229.08595	0.8
231.05415	0.5
231.10086	1.6
233.07910	0.6
235.07486	4.4
235.09566	0.8
236.08171	1.5
237.09007	0.5
239.10657	4.6
241.08508	0.8
247.07451	0.5
248.08234	0.4
249.08864	0.6
251.10567	1.5
252.02917	0.5
252.07706	0.8
253.08647	0.5
259.09601	3.5
265.08542	0.8
266.09137	0.7
267.10065	5.2
269.08066	2.5
270.04062	1.5
277.10706	5.5
279.10135	2.5
281.11710	0.7
284.10452	2.1
288.05042	1.6
293.10141	0.5
295.11737	1.8
296.10303	0.7
297.11176	2.0
299.12683	30.2
311.12851	7.7
317.13751	23.8
318.14084	0.5
329.13846	4.4
425.15851	0.5
485.13260	0.9
531.42163	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00248	0.5
53.03881	1.9
55.01804	1.9
55.05437	1.1
56.04964	2.6
56.96502	0.4
57.03364	2.2
60.04453	1.0
61.02842	3.1
67.05411	1.0
69.03348	7.7
69.04442	0.5
69.06974	2.2
70.06506	17.8
70.07578	0.4
71.04903	1.0
72.08069	10.3
73.02819	1.1
73.08385	0.4
74.05969	1.0
74.44834	0.4
79.05413	4.7
81.03333	4.6
81.04453	2.8
81.06956	2.8
83.06024	1.9
84.04428	7.1
84.08064	14.5
85.02350	0.7
85.02829	19.1
85.03347	0.7
86.09626	16.7
87.58795	0.5
88.03889	1.0
91.03886	0.7
91.05404	28.8
92.05693	0.6
93.06978	4.5
94.04098	1.0
95.04903	5.9
95.06016	5.3
95.08523	0.9
96.04414	0.6
97.02826	7.3
99.04379	0.6
101.07069	0.7
102.05460	3.3
103.03887	1.0
103.05394	7.8
104.05230	0.6
105.06982	7.0
107.04874	5.3
107.06020	0.8
107.08553	0.6
108.05629	0.6
109.02821	2.7
109.06435	8.9
110.07121	13.0
111.04376	0.8
111.05508	0.6
112.08674	0.6
113.07069	0.8
115.05393	8.5
115.08675	1.2
116.07062	1.0
117.03303	0.7
117.06960	1.0
118.06469	1.2
119.04887	18.9
119.08523	2.4
120.08033	2.2
121.06444	11.3
122.03587	3.2
122.07063	0.6
123.04351	2.8
124.08672	4.1
125.05996	0.9
127.03904	4.4
127.04726	0.7
128.06189	0.5
129.10196	5.9
130.04089	1.0
130.04936	1.0
130.06557	0.6
131.04889	5.5
132.05743	0.8
133.02805	12.9
133.06456	6.3
134.03598	0.6
134.07138	2.0
135.04347	6.1
135.08002	4.4
136.05119	0.9
136.07553	4.8
137.05945	100.0
138.06374	0.7
141.06844	0.6
143.04880	10.0
143.11795	2.2
145.04901	0.8
145.06441	3.0
146.03557	0.5
146.05971	1.2
147.04384	13.0
147.08032	7.7
149.05956	21.3
150.06775	5.1
151.03975	1.9
151.07513	53.3
152.08159	15.7
159.04373	0.7
159.07875	0.6
160.05167	5.2
161.05930	10.4
162.06693	7.2
163.07523	9.0
165.05441	3.0
165.09076	5.2
167.07001	18.1
167.08313	0.9
169.06427	1.2
171.08014	0.7
172.05251	0.5
172.08682	0.5
173.12950	0.5
174.06747	1.0
175.07500	64.3
176.08003	1.3
177.05408	2.6
177.09033	2.0
178.07732	0.8
178.13367	0.8
179.06990	8.4
179.08527	4.1
180.07619	0.6
181.06290	0.8
181.08536	2.7
187.07498	1.2
187.11124	6.1
188.04691	0.5
188.08203	1.0
189.07042	0.7
189.09024	2.3
191.06953	3.6
191.08485	2.0
193.08554	28.9
203.06985	3.7
205.08569	3.9
207.07971	6.5
208.08777	0.7
211.07558	0.5
215.07016	1.2
215.10513	0.7
217.08534	1.3
219.08011	3.7
219.15939	0.9
221.09723	0.6
223.15425	0.8
224.08250	0.8
225.09148	0.6
233.08057	0.7
233.15492	0.7
235.07494	5.0
235.09544	0.7
236.08142	1.1
236.10236	2.5
239.10645	6.6
240.11250	0.7
245.07857	0.9
247.07401	1.0
247.15346	1.1
251.07086	0.6
251.10603	2.9
253.08554	0.6
254.11249	0.6
255.06586	0.9
259.09534	2.8
263.09216	0.9
264.09912	0.8
265.16577	0.9
266.09372	0.8
267.10175	5.5
269.08069	1.2
277.10696	5.4
279.10089	3.8
281.08023	0.7
281.11618	0.7
283.09396	0.8
284.10336	0.8
287.16422	2.1
293.10019	0.7
293.16135	0.7
295.11722	1.2
296.10217	2.0
297.11243	3.8
299.12708	39.7
300.13181	0.6
311.12735	11.0
317.13785	21.0
329.13693	6.2
359.17017	0.5
365.19669	0.8
382.24481	0.6
424.25394	4.3
490.26260	0.9
508.27451	3.3
544.29895	0.8
545.17822	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	5.3
56.04962	0.9
56.96500	20.3
61.52237	0.7
69.03343	1.5
69.06980	3.0
69.61131	0.6
70.06502	11.2
71.06829	0.8
71.95182	1.0
72.08058	4.4
72.95941	1.0
81.06953	0.8
82.02813	0.7
83.08539	1.8
84.04410	1.3
84.08044	6.7
85.02824	4.9
86.09628	5.3
92.10226	1.0
95.04883	0.7
95.08523	1.2
97.10054	0.8
98.97493	6.8
100.11156	3.9
105.06991	0.9
107.08538	1.3
107.50405	0.8
110.07088	1.0
111.04371	1.0
114.09159	1.0
116.98577	6.5
120.08055	3.3
123.11667	1.1
129.10197	3.9
131.00142	1.0
134.99638	4.8
145.01648	0.8
149.01183	1.6
158.99588	1.6
160.76730	0.8
167.02197	1.1
168.09924	0.9
173.01161	1.3
175.02747	1.4
177.00632	8.7
181.35390	0.8
182.15324	1.1
182.99590	1.5
191.02214	1.7
195.01807	1.6
201.00691	7.0
210.14896	1.9
211.10004	1.1
219.01802	5.8
221.08498	4.6
237.18430	5.0
239.09483	38.0
256.90021	0.8
257.10529	100.0
258.10870	4.3
275.11588	3.4
280.12146	1.5
281.10507	20.1
295.11899	0.9
299.11591	10.0
323.11554	4.9
357.98657	0.8
375.45618	0.8
401.14703	35.2
402.14600	1.4
419.15634	3.4
443.15750	18.7
445.70758	1.0
485.10226	1.2
485.16846	17.8
516.66821	0.9
545.19055	16.6
545.33423	3.5
556.88977	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.199
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
53.03883	0.7
55.05223	0.8
55.05454	12.1
56.04974	9.9
57.03362	0.8
57.05750	0.9
60.04460	4.4
61.01086	0.8
67.05392	0.6
69.06995	4.1
70.06508	38.3
71.06837	1.4
72.08070	46.7
73.08415	2.6
74.05990	10.8
81.06993	0.8
83.05993	0.6
84.04426	23.4
84.04927	0.8
84.08066	48.5
85.02818	2.5
85.04772	0.6
85.08407	2.7
86.09625	36.0
87.05521	1.1
87.09959	1.3
88.03880	0.8
91.05396	1.4
93.06982	1.4
95.08514	1.0
96.08076	0.9
97.01780	0.6
100.11174	1.4
101.07063	0.9
102.05480	10.6
103.05374	1.2
104.05263	1.2
105.06976	1.0
107.04923	0.7
110.07094	4.1
115.08643	2.8
116.07014	0.9
119.04913	0.6
120.08052	20.2
121.08376	1.4
123.08046	0.7
126.05415	0.8
127.08676	0.9
129.10196	26.6
130.04979	4.1
130.06506	1.0
130.10547	1.2
131.08141	1.3
135.31664	0.6
136.07532	1.4
137.05956	3.3
137.13284	0.6
139.08633	0.8
141.10263	0.9
143.11800	0.6
148.06038	5.4
149.05934	0.8
159.07715	1.1
159.09177	1.1
161.05977	0.9
171.11472	0.6
177.10333	0.9
195.11290	1.1
201.12366	3.0
203.05255	1.2
226.11755	0.9
249.10889	1.3
323.05478	0.7
327.08615	1.3
350.78763	0.8
383.07504	3.3
458.21359	0.7
506.29187	0.6
544.18658	0.8
544.31598	5.9
545.19812	100.0
545.31897	6.4
546.20032	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	545.1991
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
53.64509	0.6
55.05444	3.9
56.04966	3.9
56.78241	0.6
60.04462	1.3
67.05401	0.7
69.03335	1.0
69.06986	3.3
70.06138	1.4
70.06503	26.6
71.06835	0.8
72.08064	19.4
73.08414	0.9
74.05987	3.2
79.05408	0.6
84.04420	16.0
84.08065	17.6
85.02825	2.8
86.09618	24.6
86.10099	1.5
87.05511	0.8
87.09960	1.0
88.03919	1.1
91.05407	1.7
95.04845	0.7
95.08501	0.9
98.17075	0.7
102.05473	7.0
103.04701	0.6
103.05389	1.2
104.05273	0.8
105.06953	1.1
110.07124	7.3
115.08649	1.1
116.07059	1.3
120.08048	16.0
129.10188	9.3
130.06494	1.7
131.04837	1.0
132.08014	0.9
133.10123	0.8
134.99652	1.1
136.07521	1.5
137.05975	4.1
140.92984	0.7
157.06021	1.0
159.09160	1.0
166.08563	1.5
167.07022	1.3
201.12462	1.1
208.07111	0.8
213.08653	1.0
324.41397	0.7
401.28629	0.8
460.61151	0.8
545.19775	100.0
546.20282	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	545.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04432	0.1
55.88158	0.1
58.14034	0.1
62.12453	0.1
68.09788	0.1
69.03336	0.4
70.40863	0.1
79.05403	0.4
85.02831	0.2
86.09617	0.8
91.05370	0.3
93.06976	1.0
95.04913	0.2
97.02796	0.2
98.97552	0.2
103.04719	0.3
103.05394	4.9
107.04886	1.7
107.61932	0.2
114.36002	0.2
120.08048	100.0
121.08402	1.3
131.04878	2.4
132.10187	0.2
145.88254	0.2
149.05974	1.6
166.08586	23.3
167.07083	0.1
167.08932	0.4
222.04326	0.2
240.05293	0.2
242.44981	0.2
244.35576	0.1
306.02667	0.1
510.44748	0.2
519.81396	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97213	1.0
53.50607	1.0
53.78593	1.0
54.39633	1.1
55.05458	1.5
56.00552	1.2
75.45489	1.1
76.33842	1.3
80.49969	1.1
81.06976	1.2
106.31457	1.3
107.17719	1.2
136.38837	1.3
236.41925	1.5
263.84521	1.2
269.36990	1.4
289.25238	1.3
310.80273	1.4
341.06165	1.4
361.35107	1.4
545.40137	100.0
546.40424	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	546.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	5.7
55.85708	1.2
56.84211	1.3
57.07014	2.4
61.98341	1.5
63.78706	1.2
65.41297	1.4
66.71602	1.2
67.05408	11.5
69.06983	13.8
79.05420	11.3
81.06975	88.0
83.08514	2.5
83.86588	1.3
89.05911	2.3
91.05401	11.2
91.05884	1.6
93.06968	13.0
95.08527	33.2
95.72299	1.5
97.10049	1.8
105.06984	8.0
107.08534	14.5
109.10115	12.1
111.91570	1.4
117.07012	1.9
119.08517	33.7
121.10101	12.2
123.11656	9.6
129.06921	1.6
135.08008	8.7
135.11633	7.6
136.08812	8.9
137.13240	8.8
147.08014	18.3
149.09560	6.0
149.13240	8.9
151.11212	6.1
163.14729	1.8
179.10640	3.5
187.11201	3.5
191.06963	9.4
191.17915	2.9
195.19240	1.7
205.19411	2.4
233.08026	26.3
251.09073	100.0
252.09256	1.7
265.10608	2.5
291.12161	13.4
319.15314	1.7
502.36459	2.7
511.33783	2.0
546.34851	9.5
546.42438	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03811	1.4
53.03894	1.5
55.05454	8.3
56.48459	1.6
57.07016	2.4
60.46212	1.6
60.49098	1.8
67.05416	22.0
69.06664	2.2
69.06979	21.1
73.74670	1.9
79.05412	17.4
81.06974	86.4
82.54067	1.9
83.08535	3.7
91.05396	18.2
92.64539	2.6
93.06968	40.0
95.08530	39.9
103.95263	1.9
105.06954	18.7
107.08533	21.9
109.06441	2.1
109.10110	22.4
113.37865	2.0
115.90831	2.1
119.08546	3.2
121.09229	2.4
121.10098	59.6
123.11665	16.2
124.09357	1.9
132.87213	1.9
135.11606	9.0
137.13168	2.3
137.24608	2.0
149.09593	100.0
149.13246	11.9
163.14734	2.3
165.09122	4.2
167.10628	4.7
177.10204	2.7
179.10670	3.9
189.09090	3.7
191.06981	8.2
195.02243	2.0
223.09671	19.0
235.09656	2.5
237.03627	1.9
247.09604	2.5
251.09094	34.6
319.90189	2.0
511.33746	3.0
545.39929	8.3
546.40479	9.5
547.35809	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	547.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	0.2
55.05441	0.2
56.04968	0.3
60.04445	0.3
62.12069	0.1
69.03355	0.2
69.06955	0.1
70.06504	3.1
72.08065	2.1
73.02805	0.2
74.05511	0.1
74.05959	0.1
83.06035	0.2
84.04413	1.2
84.08061	1.9
85.02827	0.6
86.09630	2.3
86.87848	0.2
87.05499	0.2
94.04097	0.2
95.04833	0.2
97.02858	0.3
98.97495	0.3
102.05460	0.3
105.03329	0.3
110.07099	0.9
116.98586	0.1
119.02791	0.2
120.08022	0.2
122.03589	1.0
129.10176	1.4
133.02811	21.0
135.04401	0.2
137.04997	0.3
137.05948	5.6
149.04890	0.2
149.05939	1.9
150.03085	0.9
161.02347	0.2
165.05429	2.5
167.07030	0.2
170.84738	0.2
170.96498	0.2
173.78000	0.1
178.02565	11.4
179.02942	0.2
192.52260	0.1
193.04919	100.0
194.05270	2.4
353.82898	0.1
392.80377	0.2
423.63522	0.2
495.92075	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05438	1.2
56.04974	0.9
56.96502	0.7
60.04450	0.6
69.03339	2.8
69.06987	1.4
70.06504	22.6
71.06850	1.0
72.08067	10.6
74.05978	2.2
75.00290	0.5
81.03317	0.7
81.06965	1.3
84.04434	5.2
84.08064	12.4
85.02831	2.4
85.42317	0.5
86.09624	16.9
87.04391	0.5
87.05514	1.1
87.09930	0.8
88.03898	0.7
91.05399	0.9
93.06982	0.7
95.04942	0.6
95.08576	0.8
97.02859	0.5
101.07088	0.6
102.05486	2.4
105.06988	1.0
107.08525	0.9
110.07095	6.4
112.08714	0.7
115.08679	0.8
116.07034	0.9
119.01860	0.7
119.08480	0.9
120.08051	6.4
128.10687	0.6
129.10188	6.9
130.04935	0.8
130.06483	1.2
131.08551	0.7
132.08037	1.0
133.10175	0.9
136.07564	1.1
137.05969	2.6
137.09491	0.7
140.07050	0.6
150.90976	0.6
151.07538	0.6
155.08145	1.1
157.10184	0.9
159.09164	3.5
167.07045	0.8
170.05978	0.9
173.12863	1.1
184.05159	3.3
185.05524	0.6
199.07500	12.6
200.07829	5.8
201.12384	1.3
203.05240	6.0
215.11320	3.5
217.08524	0.6
218.08841	0.8
223.08009	0.9
241.09142	18.2
242.09293	0.8
255.10742	2.2
259.10184	0.9
265.08981	1.8
283.10190	15.4
284.10513	0.9
295.11487	2.5
313.58224	0.6
325.12286	13.1
343.12234	1.2
367.13623	3.4
385.14572	100.0
386.14920	5.2
445.24533	0.7
500.07840	0.7
547.19830	84.6
548.19885	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	547.205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82201	0.7
55.05445	2.5
56.04965	4.1
56.96238	1.7
56.96501	33.2
59.67339	0.9
60.04450	1.7
60.72811	1.0
60.73228	0.8
67.05434	1.2
69.03356	1.1
70.06136	1.7
70.06509	37.5
71.95179	1.4
72.08066	23.9
72.95972	1.1
74.05976	3.9
81.06965	1.2
84.04422	8.1
84.08061	27.2
84.95953	1.4
85.02842	2.0
85.03876	1.0
86.05927	1.1
86.09621	23.5
91.05416	1.8
95.04913	1.1
98.09673	1.1
98.97503	9.8
99.05498	1.1
101.07093	0.9
102.05492	4.5
110.07114	7.1
110.97508	1.8
112.99123	1.4
113.07057	2.5
116.07102	1.5
116.98550	10.3
119.04876	1.2
119.08448	1.2
120.08038	11.4
128.98550	8.1
129.10172	13.3
131.00122	12.4
134.99622	6.1
136.07603	1.3
137.05943	1.8
143.00183	6.6
146.99644	11.9
149.01196	19.4
158.99643	2.3
159.09155	1.3
161.01178	14.0
162.03049	1.2
165.00659	1.4
167.02271	2.3
170.99609	1.1
173.01151	1.6
177.00697	2.3
178.96733	1.2
179.02263	4.0
183.14819	1.1
185.01183	8.3
187.02779	1.9
189.00737	4.1
189.12605	1.3
191.02313	2.2
203.02232	26.5
211.10114	1.1
221.03334	8.4
221.08430	1.6
239.09485	37.8
240.09805	1.2
245.03291	6.2
257.10541	93.9
258.10901	1.2
263.04333	2.4
275.11655	6.6
280.12164	2.0
281.10562	12.8
295.12045	2.2
299.11603	7.3
313.13263	1.7
321.20325	1.2
332.36627	1.1
401.14713	10.3
427.16260	7.4
546.20404	1.4
547.20599	100.0
548.20880	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	547.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12332	0.2
57.46095	0.2
59.12261	0.3
67.43313	0.2
70.58918	0.2
74.02346	1.2
91.05403	0.5
115.05408	1.3
117.05698	0.4
117.06977	1.5
118.06484	23.8
128.42979	0.3
130.06459	1.9
132.08044	7.8
142.06509	2.9
143.07262	3.4
144.04407	0.4
144.08046	19.4
146.05977	98.7
147.06316	1.7
159.09137	8.7
160.07541	1.5
170.05969	6.6
188.07018	100.0
189.07339	1.6
205.09674	27.8
206.09955	0.4
338.91071	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2154
Annotation	Bistratamide E
Peak:m/z	Relative Intensity
55.05445	3.5
56.04966	4.5
57.03365	1.1
60.04454	4.1
61.01077	0.8
61.02858	1.0
67.05424	1.3
69.03349	3.4
69.06987	5.0
70.06506	37.5
70.06896	1.6
72.08067	18.5
74.05981	4.0
79.05376	1.1
83.06001	1.0
84.04422	14.0
84.08065	25.0
85.02833	5.3
86.09622	38.6
87.05513	2.1
87.09965	2.0
88.03925	3.8
91.05390	1.5
93.06958	1.3
97.02823	3.6
97.03963	1.7
98.97499	1.1
101.07104	1.0
102.05472	5.5
103.05422	1.0
104.05248	1.0
110.07096	10.7
112.08668	1.1
116.07029	1.2
116.98591	1.6
117.07012	1.0
120.08079	10.1
121.06441	1.4
121.08431	0.9
123.08018	1.4
127.08640	1.2
129.10188	12.2
130.04967	1.1
130.06502	4.9
130.83989	0.8
132.08066	4.6
133.06094	1.6
134.99599	1.1
136.07538	3.2
137.05943	1.3
143.04544	4.2
147.07909	1.0
149.09616	1.6
155.08133	1.0
158.08408	1.0
159.04182	4.2
159.09181	4.7
159.11664	1.5
165.09138	1.4
167.07007	1.1
169.07643	2.2
169.13431	1.2
170.06102	1.2
173.12871	1.5
186.07529	1.3
187.08690	1.6
201.12405	1.1
205.12248	1.4
226.15393	1.0
246.14314	1.7
274.11896	2.1
283.12061	1.5
302.11539	1.2
385.16214	1.7
547.21344	100.0
548.21527	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	547.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79419	0.4
55.01792	0.5
55.05440	1.1
56.04964	1.0
57.24913	0.3
60.04440	1.9
60.05313	0.5
60.05576	8.7
69.03351	0.5
69.06987	1.1
70.02862	0.5
70.06505	61.4
71.04898	0.7
71.06833	0.8
72.08063	7.6
74.05966	0.8
81.03330	1.0
82.06491	1.7
83.04879	0.5
84.04425	4.3
84.08060	52.3
85.02808	1.0
85.08380	0.7
86.05970	0.6
86.09621	17.7
89.39106	0.4
93.06998	0.6
95.05998	0.7
96.08029	1.7
97.02798	0.9
97.07567	0.5
98.97458	0.6
101.07065	0.6
102.05457	0.7
110.05982	1.9
110.07094	3.1
111.04422	0.5
112.07543	100.0
112.08644	4.6
113.07094	1.0
113.07853	1.0
113.10786	0.5
114.09129	0.8
114.10265	1.8
115.08646	1.9
116.07030	9.2
120.08048	1.8
123.09116	1.0
126.05495	0.6
126.09109	2.5
129.10185	4.5
130.09709	4.4
131.04956	0.5
133.09770	0.5
136.07625	1.4
136.08640	0.6
137.05963	0.6
140.07001	0.8
142.08635	3.7
154.08615	2.2
156.11270	0.8
157.09676	1.6
157.10822	0.8
158.09227	5.3
163.07457	0.4
166.92178	0.4
175.11853	30.8
176.12245	0.8
176.15886	0.4
178.08510	0.6
179.15367	12.8
181.10915	0.8
181.13383	2.6
183.14864	4.2
184.09531	0.6
195.14914	0.7
196.09639	0.8
197.16492	1.9
198.11082	1.0
199.11900	2.1
200.10310	0.5
207.14891	5.9
209.12790	0.6
211.14262	1.5
214.10739	4.6
225.15916	8.0
232.11722	7.3
235.14320	4.1
253.15878	0.5
255.13577	0.6
271.17572	0.8
288.20282	2.0
298.18686	0.6
314.18103	3.5
364.22940	0.5
385.25540	6.5
397.25702	0.6
409.25531	5.9
410.23962	1.0
427.26535	68.1
428.27051	5.3
469.27679	0.6
511.28839	1.0
529.29645	4.0
547.30798	23.4
548.30835	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3602
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
55.05452	2.4
60.90638	2.3
62.23143	3.0
67.90265	2.6
70.58082	2.5
74.89792	4.0
91.05354	3.3
92.10897	5.5
95.46737	3.0
546.40643	3.8
547.35651	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00242	1.7
53.03889	1.1
55.01810	3.4
55.05444	1.0
56.04968	0.8
57.03376	30.8
58.21917	0.7
59.04934	6.3
60.04448	2.7
61.02856	5.7
64.56130	0.6
69.03350	95.8
69.90538	0.7
70.06519	8.7
71.04906	0.7
72.08073	5.0
73.02832	4.7
74.06001	0.9
74.70061	0.7
75.04388	7.8
76.56693	0.7
81.03344	6.4
84.04427	3.1
84.08064	6.4
85.02829	100.0
86.03192	1.0
86.09634	5.5
87.04395	59.0
88.12049	0.6
91.03884	3.0
97.02822	85.6
99.04410	4.8
101.02309	1.0
102.05505	0.8
103.03881	2.6
109.02845	5.9
110.07123	1.6
111.04401	0.9
113.05045	0.8
113.45757	0.6
115.03885	65.1
123.04379	2.9
124.09566	0.7
127.03880	17.7
129.10226	1.4
133.04933	57.0
139.03824	0.7
145.04938	19.3
163.06020	5.8
169.04962	1.6
180.35703	0.7
187.14433	0.9
220.19991	0.8
237.13252	3.2
241.07053	1.3
259.08115	8.1
277.09180	3.2
295.10168	11.0
319.28525	0.8
325.11273	3.6
548.27820	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
92.63673	8.7
106.30544	7.4
108.85339	9.4
119.08529	100.0
161.87637	8.3
220.22661	8.5
231.20944	7.9
309.67514	11.6
547.35675	12.0
548.29529	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	0.3
54.81587	0.1
55.01803	0.2
55.05453	1.9
57.03360	0.7
61.02851	0.3
65.03847	0.2
66.62999	0.1
66.85272	0.1
67.05411	0.5
69.03003	0.2
69.03349	4.3
71.04897	0.5
79.05412	0.9
81.03333	0.8
83.04899	4.3
85.02828	3.1
87.04366	0.2
91.05406	6.8
92.05761	0.1
93.06964	0.3
95.04891	0.6
95.56524	0.1
99.04375	0.7
101.02325	0.3
103.05372	1.0
104.06192	0.6
105.06990	1.3
107.08536	5.0
109.06448	0.1
111.04373	1.7
115.05379	0.5
117.06959	2.1
119.08536	100.0
120.08869	2.5
123.08008	0.5
129.05472	0.9
129.19785	0.1
133.06464	10.9
133.07495	0.7
133.10081	0.1
134.06747	0.2
135.08020	2.8
143.08519	0.5
145.10112	0.5
156.09236	0.2
157.10158	0.6
161.09570	0.2
171.11679	0.2
181.10187	0.1
188.31552	0.1
217.12088	0.2
235.14790	0.3
240.47211	0.1
241.85750	0.1
243.10135	0.3
261.11102	0.2
263.12732	2.9
294.17929	0.5
307.11810	0.6
397.19913	1.1
411.17978	0.2
531.27350	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86275	2.0
55.05445	12.3
55.61034	2.0
57.03370	5.5
57.07019	2.2
59.04939	4.9
61.02859	2.3
67.05434	9.9
69.03358	19.7
69.06987	15.5
70.06505	25.0
72.08088	5.7
76.47443	2.0
79.05400	5.3
81.06971	20.7
83.08537	2.9
84.04443	3.3
84.08064	17.7
85.02809	15.3
86.09634	21.5
86.50340	2.5
87.04375	9.4
91.05399	15.3
93.06969	17.1
95.04867	3.4
95.08533	29.2
97.02839	13.3
97.06462	25.9
97.06995	3.2
99.07979	2.6
100.11212	18.8
103.05408	2.6
105.06980	30.2
107.08549	25.4
109.10091	19.4
110.07099	3.2
111.08035	4.0
115.03877	10.3
117.06938	5.8
119.08533	47.1
120.08058	13.8
121.06407	2.2
121.10092	30.4
123.07998	9.2
123.11678	10.5
125.09557	2.6
129.10210	4.5
131.04889	2.6
131.08511	13.5
133.04935	12.0
133.10095	22.8
135.07983	3.4
135.11644	17.5
137.09612	4.0
143.08519	2.9
144.09380	2.4
145.10095	38.8
147.11681	4.3
149.09598	4.7
149.13245	2.7
159.11664	34.5
161.13206	37.8
163.11134	9.6
170.70918	2.7
173.13232	23.6
175.14903	4.6
177.12674	3.1
177.16333	4.1
182.15338	13.9
201.16350	90.7
209.16554	3.1
210.14803	8.7
219.17390	100.0
295.10120	5.5
333.20456	2.8
349.88568	2.8
467.93967	2.3
472.78912	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	548.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35405	1.6
58.38355	2.0
60.49827	1.7
60.78246	1.8
64.88591	1.9
66.56441	1.9
71.19210	1.6
95.18935	1.8
119.08512	2.8
205.79010	2.0
240.86188	2.5
436.25674	2.0
464.79245	2.5
521.34540	13.6
546.62689	2.1
548.35437	100.0
549.35675	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	548.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27491	4.4
53.74367	5.2
55.05450	10.6
57.07010	8.1
60.08083	12.3
60.83562	5.9
61.02866	10.7
67.05431	73.0
69.06982	24.3
79.05400	8.2
81.06973	85.5
83.08557	12.4
85.02821	9.5
86.09626	49.6
87.20069	5.9
91.05424	12.0
93.06979	22.5
95.08533	69.1
97.10125	9.1
104.10701	100.0
105.06977	6.6
109.10102	36.8
121.10083	10.9
123.11633	11.3
124.99955	27.3
131.00038	5.5
133.10072	11.0
137.02576	6.9
147.11674	22.8
161.13268	11.0
163.14734	6.1
165.16350	6.9
178.16797	5.8
184.07277	72.7
192.66446	6.0
245.22522	55.6
263.23679	93.6
337.27197	30.7
493.06116	5.9
522.35419	25.1
545.60657	6.3
548.37225	6.4
574.94666	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	549.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81810	0.5
55.01799	0.6
55.05446	0.8
56.04950	1.1
56.96490	0.8
57.03359	0.8
57.04834	0.4
64.92432	0.5
65.03859	0.6
67.05403	0.9
68.99685	0.5
69.03329	0.9
69.06964	0.5
70.06503	9.5
72.08057	3.1
77.03854	0.7
79.05396	2.1
81.06970	0.7
84.04401	2.7
84.08063	5.1
85.02821	2.7
86.09615	5.8
91.05413	7.1
93.06946	1.0
95.04890	9.4
102.03989	0.7
102.04618	21.0
102.05348	0.9
103.05412	13.2
105.03307	2.1
105.06972	9.8
107.04910	4.0
107.08548	0.8
110.07084	2.3
113.02291	0.6
115.03884	0.5
115.05418	5.0
116.98583	0.6
117.06963	3.7
119.04885	10.3
119.08533	0.7
120.08047	2.2
121.02821	1.1
121.06443	4.2
123.04372	9.7
124.05144	2.1
125.46962	0.5
129.10168	2.8
130.04103	42.4
131.04890	76.8
132.05594	2.5
133.02786	5.5
133.06458	8.3
134.99748	0.5
135.04382	8.9
136.07536	0.6
137.05969	8.1
144.05678	0.7
145.02829	0.5
145.06454	34.3
146.03578	3.2
147.04384	50.3
148.01530	4.3
148.05077	3.3
149.01260	0.6
149.02292	4.3
149.05989	4.5
150.06740	14.8
151.03847	3.0
151.07460	2.4
152.08298	0.7
153.05409	0.6
155.06015	1.1
161.02199	4.7
161.05948	16.3
162.06718	89.7
163.03856	11.6
163.07497	6.2
165.01735	2.5
165.06940	2.0
177.05417	0.7
179.03358	18.6
179.06845	0.5
180.03734	0.6
180.07727	1.0
182.07248	1.1
187.03813	1.3
190.02502	0.8
191.03357	1.8
192.03931	0.9
193.06490	1.1
194.02132	1.2
201.16409	0.6
204.04175	0.8
207.02850	25.3
207.04707	1.1
207.08058	0.7
208.03543	1.0
209.04393	13.0
210.06714	1.3
221.04282	0.7
221.05965	10.4
221.21078	0.5
222.06689	2.5
225.09123	1.0
229.04811	4.2
237.05389	1.3
238.06113	4.4
239.12732	0.9
241.11041	2.1
249.05428	10.2
250.06189	4.0
253.08496	2.2
259.12064	3.6
265.04901	1.0
266.05704	5.5
277.04965	5.4
278.05646	1.1
281.07922	2.7
294.05209	4.9
295.05969	0.7
305.04596	0.9
309.07474	3.8
321.03741	0.8
322.04587	2.2
337.06989	55.5
338.07190	3.8
357.09549	3.4
369.09647	9.7
387.10657	100.0
388.10886	4.8
549.21686	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	549.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05435	1.5
56.04978	2.4
57.03352	1.6
60.04448	2.3
67.05399	1.5
69.03330	3.6
69.06946	3.1
70.06506	29.2
71.04886	1.9
71.06822	1.4
72.07714	1.1
72.08063	13.8
74.05965	3.8
79.05386	0.9
81.06966	0.9
82.06517	0.8
83.05996	1.1
84.04426	12.6
84.08060	18.2
85.02810	11.1
86.09149	1.2
86.09623	21.0
87.05522	1.2
87.83105	0.8
88.03871	1.0
91.05404	7.9
93.04432	1.1
93.06965	1.1
95.06013	0.9
95.08543	6.4
97.02787	3.5
102.05453	3.9
105.06937	1.0
107.08506	1.0
109.06481	0.8
109.10034	0.9
110.07121	12.1
116.98495	1.0
119.04877	1.4
119.08495	1.4
120.08042	5.8
121.06474	0.9
123.07967	4.6
127.03862	1.2
127.08636	1.0
129.10185	11.0
130.04945	1.7
130.06416	0.8
135.11555	1.1
136.07500	3.7
137.05867	1.2
137.09642	1.2
145.04958	1.5
151.07542	6.0
152.05562	1.2
156.07565	0.9
159.04080	4.6
159.09055	1.6
163.11064	1.4
173.12804	1.0
174.16943	0.8
177.39386	0.8
190.05963	1.3
203.05240	1.3
207.13789	6.1
228.07069	0.9
237.02805	1.3
245.06247	9.5
323.10739	1.3
351.10123	1.2
521.62726	0.9
549.18988	100.0
550.19354	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62230	1.5
50.73688	1.4
51.15998	1.8
55.05439	9.0
56.04964	10.2
56.96492	2.2
60.04461	8.2
60.48987	1.7
63.16884	1.9
67.05429	8.3
69.03347	8.0
69.06991	4.0
70.06506	73.6
71.00230	1.7
71.04904	2.2
72.08064	31.3
74.05984	7.9
75.54733	1.8
76.56080	2.9
81.06986	4.5
82.06476	2.2
83.04913	3.2
84.04440	30.5
84.08062	55.3
85.02834	10.7
85.08393	3.3
86.09621	48.6
87.05544	2.8
88.03882	4.0
91.05412	2.9
93.06965	7.9
95.04919	3.0
95.08532	20.3
97.02821	3.2
98.97510	10.9
101.07088	4.4
102.05463	12.3
103.05427	3.2
105.06995	8.0
107.08564	11.5
109.06445	2.5
109.10107	2.7
110.07108	22.8
111.08061	2.9
112.08631	2.8
114.09134	3.2
115.08631	4.5
116.07018	3.0
116.98585	8.4
119.08556	10.2
120.08051	7.5
121.06431	2.9
121.10148	10.9
123.07996	10.7
124.07703	2.1
125.09603	8.3
129.10217	30.7
130.04974	3.7
131.04857	2.7
133.06126	2.4
133.10095	3.4
134.99638	8.2
135.08040	10.6
136.07458	2.8
136.60617	2.1
137.05936	3.8
137.09567	4.4
143.11743	2.0
149.09598	24.4
151.07506	2.0
151.11176	3.7
153.20654	2.1
154.09790	3.3
155.08138	2.6
158.99594	3.7
159.04207	3.9
161.13271	4.1
175.11879	2.8
177.00656	5.0
177.12729	3.2
191.14328	3.7
207.13745	9.5
209.15332	4.2
223.09070	3.0
225.14809	14.9
237.02710	3.2
265.10840	2.6
267.10608	2.3
283.12161	12.2
325.13248	4.0
359.68747	2.3
408.18823	31.6
408.69196	4.3
429.28107	8.3
495.17654	2.1
516.20599	2.4
549.19244	100.0
550.19769	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35842	1.3
55.05442	2.6
57.07019	1.3
57.94961	1.2
60.59915	1.2
69.06982	2.5
69.10493	1.4
72.08056	2.1
81.06955	2.6
83.08508	2.1
93.06909	1.7
97.10072	1.7
118.35221	1.5
142.70401	1.4
158.82649	1.6
191.82310	1.5
211.09425	3.4
339.28659	1.5
356.79892	1.5
549.37482	100.0
550.37640	6.8
553.40503	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59402	0.1
54.16314	0.1
55.01814	0.2
55.05439	0.3
57.03370	1.7
59.04915	0.2
61.02839	0.7
61.86706	0.1
64.75356	0.1
68.02567	0.1
69.03343	5.7
70.06498	0.6
71.04910	0.2
73.02814	0.5
73.06460	2.8
75.04380	0.2
79.05391	0.5
81.03336	0.7
85.02821	10.8
86.09606	0.5
87.04385	3.6
91.03873	0.3
91.05408	0.3
93.06946	1.1
97.02818	5.6
99.04379	0.6
103.05394	5.5
107.04890	1.8
109.02816	0.8
115.03874	5.7
115.07545	0.2
118.81197	0.1
120.08049	100.0
121.08405	2.1
126.55132	0.1
127.03873	2.6
131.04877	2.6
133.04926	3.9
145.04936	3.4
149.05931	1.4
163.05963	1.5
166.08588	21.2
167.08952	0.3
169.08629	0.2
170.99530	0.1
177.00784	0.2
187.09589	0.2
214.03513	0.1
215.59708	0.1
217.10680	0.6
223.11717	0.5
231.12355	0.1
234.99066	0.2
253.12756	3.0
303.10229	0.8
342.51486	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	550.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00253	0.9
53.03883	2.1
55.01807	2.2
55.05454	7.0
56.96505	0.8
57.03368	6.9
58.29392	0.8
59.04943	1.0
61.02847	7.7
63.37114	0.7
65.03846	0.9
67.05422	8.4
69.03349	19.4
69.06985	7.3
70.06509	10.1
71.04911	13.0
72.08083	1.6
73.02831	6.8
75.10027	0.8
79.05399	9.2
81.03331	6.5
81.06974	21.7
83.04906	1.7
83.08556	1.1
84.04455	1.1
84.08051	5.8
84.46478	0.8
85.02825	79.5
85.06453	2.0
85.09430	1.0
86.09606	8.2
87.04386	4.1
91.03878	2.1
91.05398	13.5
93.06970	46.0
95.03171	0.9
95.04895	4.5
95.08531	75.1
97.02820	19.9
97.06446	8.2
97.10088	1.7
99.04391	2.3
103.05424	1.5
104.86173	1.1
105.06274	1.9
105.06975	48.5
107.08536	30.4
109.02856	4.8
109.06442	4.2
109.10090	7.4
110.03562	1.5
110.07113	1.4
111.04381	1.7
115.03868	1.4
115.05406	1.4
115.07532	3.9
116.98606	0.9
117.06974	1.7
119.04884	2.1
119.08530	81.3
120.08046	3.6
121.10081	12.1
123.08057	1.1
125.05981	1.4
127.03864	12.5
127.07513	1.3
129.10239	2.0
131.04900	0.9
131.08525	10.1
133.10106	21.4
135.07999	1.6
135.11656	37.3
136.07570	1.2
137.05980	4.0
137.09573	4.5
145.04932	12.3
145.10121	7.2
147.04451	1.5
147.11673	15.0
151.11153	9.4
153.05508	2.1
153.09183	0.9
161.13220	30.0
163.05968	3.5
163.11139	3.8
163.14792	7.1
165.12727	13.3
167.06978	1.7
167.35713	1.0
170.82050	1.0
173.13205	10.4
177.05392	0.9
179.14240	7.3
181.12160	3.6
191.14268	18.4
203.17996	1.8
209.15329	100.0
210.15678	1.4
307.09290	1.2
308.10007	1.0
321.07538	1.3
335.21967	3.5
341.09991	7.0
484.00922	0.9
545.83630	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77682	4.3
54.44779	4.0
55.05428	20.6
57.03357	29.1
67.05426	52.3
69.03347	100.0
69.06971	7.8
70.06503	20.6
72.08063	6.1
75.04363	4.2
77.44144	4.6
78.14742	4.2
78.16074	5.2
79.05406	23.5
79.39613	5.0
81.06975	72.7
84.04395	9.9
84.08051	20.3
85.02825	65.8
86.09624	20.7
87.04395	48.6
91.05402	29.3
91.96288	4.7
93.06965	61.9
95.08526	68.1
97.02846	48.7
105.06966	69.5
107.08525	67.1
109.10102	50.4
115.03871	36.3
115.08573	4.8
119.08534	56.6
120.08006	7.2
121.10087	31.4
129.10194	7.7
133.04915	32.1
133.10101	28.2
135.11638	11.8
139.64059	5.0
145.10155	5.5
147.11690	44.5
159.11633	6.8
161.13147	8.4
161.29089	5.5
167.06978	6.0
175.14539	6.2
201.16208	5.6
203.17868	43.6
276.13190	5.8
297.54681	6.8
395.48444	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	550.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51392	4.4
52.44559	3.9
53.03883	3.8
54.05077	4.4
55.05452	63.4
55.47567	4.7
57.03374	21.9
57.07005	32.1
61.19590	4.4
64.32815	5.3
67.05427	80.6
69.06988	100.0
71.04913	7.3
71.08524	7.9
79.05395	23.0
81.06980	72.7
82.05355	4.5
83.08543	66.5
85.02811	40.6
85.10093	5.6
93.06956	52.5
95.01240	27.2
95.08533	77.2
97.06451	7.3
97.10091	47.9
106.02838	4.5
107.08525	27.1
109.10127	50.7
111.11689	7.6
121.10103	55.1
123.11657	20.4
126.68904	5.1
135.11646	44.7
141.01805	31.2
141.89737	5.1
149.13211	12.1
155.31190	5.0
165.16496	4.9
247.24045	42.3
265.25128	73.1
283.26297	9.9
339.28891	76.6
357.29861	11.6
369.19589	6.2
515.31976	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	550.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81920	1.1
55.05444	2.4
57.03374	0.9
59.04929	1.9
60.08101	21.4
67.05424	1.7
69.06987	1.3
71.07290	8.4
82.58438	1.0
83.40211	0.9
86.09626	76.8
95.08567	1.5
98.98396	4.3
104.10678	92.3
112.95737	0.9
119.08557	11.3
124.99957	38.3
129.19099	1.0
129.27046	1.1
138.86229	1.0
165.43277	0.9
184.07301	100.0
317.01639	1.2
532.37561	8.0
550.30817	1.3
550.38544	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3863
Annotation	Butenoyl PAF
Peak:m/z	Relative Intensity
53.61362	0.6
56.78085	0.5
57.34438	0.6
60.08100	8.6
66.55800	0.6
67.86089	0.6
71.07287	4.1
74.54852	0.5
80.68774	0.5
86.09631	44.9
94.47309	0.6
98.98396	4.1
104.10692	3.4
124.99968	34.9
145.02855	0.9
152.99449	0.8
184.07312	100.0
185.07716	0.9
292.83014	0.8
312.03781	0.7
483.46509	0.8
550.38434	4.1
550.62445	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23975	4.5
53.68587	3.9
53.92825	5.6
54.82071	5.2
54.94771	4.3
55.05455	43.8
55.68285	4.5
55.80883	4.7
57.07000	26.3
61.02861	12.3
67.05427	53.3
69.06986	74.5
71.08537	9.4
79.05403	28.0
80.05212	4.4
81.06982	65.3
81.91346	4.9
83.08542	43.2
85.02827	21.9
93.06960	28.6
95.08534	64.7
97.02791	9.4
97.10107	36.1
106.42271	4.9
107.08524	26.7
109.10123	28.2
111.07995	5.8
111.11658	5.9
121.10093	39.0
123.11640	9.3
125.09550	6.4
135.11678	43.5
149.13263	11.0
163.14803	12.0
165.16312	8.5
204.21416	5.4
226.06184	5.2
235.48688	5.2
247.24162	35.7
265.25201	100.0
283.26300	10.2
339.28787	82.8
357.29904	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36767	5.8
53.90553	4.5
55.01799	5.2
55.05444	65.2
57.03363	10.1
57.07000	26.8
61.02842	29.5
62.61388	5.2
67.05419	77.8
69.06987	89.9
71.08538	14.4
73.02810	6.2
79.05402	36.7
80.70144	5.5
81.06970	69.7
82.30357	5.0
83.08525	47.5
85.02818	10.6
85.10073	6.0
91.03899	5.8
93.06983	49.4
95.08522	74.2
97.06441	7.8
97.10101	49.9
107.08524	27.5
109.10110	33.5
109.24231	6.9
111.07996	6.2
111.11684	7.5
121.10101	53.4
121.10824	5.9
123.07866	5.9
123.11634	6.9
135.11674	43.4
149.13266	7.7
177.16357	6.1
199.95100	5.9
247.24065	9.5
265.25134	91.9
283.26193	6.7
294.24133	7.6
302.55750	6.3
339.28836	100.0
357.30066	60.0
438.91022	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	551.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75487	0.7
65.03859	5.6
70.06499	1.3
73.18475	0.7
84.08076	0.8
86.09600	1.0
121.02724	1.1
139.03841	5.4
148.70798	0.9
149.02322	100.0
149.03387	5.0
173.63411	0.8
193.04921	73.3
194.05188	1.5
271.48477	1.0
335.19931	0.8
341.06268	3.5
385.09131	13.0
406.92648	0.9
533.10492	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	551.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	1.0
55.01809	3.9
55.05441	2.9
56.04978	2.8
60.04451	0.9
67.05434	0.5
69.03342	0.9
69.06982	0.8
69.77462	0.4
70.06505	22.7
71.04909	0.8
71.46943	0.4
72.08067	25.3
73.08395	0.4
74.03236	0.4
74.05985	2.5
77.03850	0.5
79.05405	11.9
81.03318	0.6
81.06991	0.7
83.05996	0.5
84.04414	4.7
84.08066	11.7
85.02825	2.8
86.09620	12.3
86.10110	0.8
88.03936	0.5
90.04623	0.6
91.05407	8.3
92.64664	0.4
93.06985	0.8
94.06509	0.4
95.04890	4.5
95.08514	0.8
96.04437	0.6
97.02840	0.4
99.65040	0.4
101.07073	0.8
102.05480	1.9
103.03896	0.5
103.05402	21.0
104.05220	0.5
105.06971	100.0
106.07309	0.9
107.04898	2.1
107.08528	1.8
109.06444	0.4
110.07092	4.5
111.09174	0.4
115.05400	21.0
116.98604	0.5
117.06957	0.7
118.04102	10.8
118.04875	0.6
119.04892	3.8
120.06548	0.6
120.08038	4.4
121.06487	0.8
121.10074	0.4
126.05518	0.4
127.03885	0.5
127.08627	0.7
129.10193	7.3
130.04930	0.6
131.04883	11.0
132.05658	1.9
133.06451	86.9
134.06773	0.9
136.07550	8.7
137.05933	3.5
143.04964	0.8
143.06001	7.8
143.11809	0.7
145.04802	0.4
146.03670	0.5
147.04362	1.0
147.07797	0.4
148.05168	6.0
149.05914	0.7
149.09641	0.5
151.07515	0.6
151.08635	0.7
151.11203	0.6
155.08183	2.2
159.07619	2.0
161.05939	86.9
162.06306	0.9
163.07491	7.9
167.06973	2.3
173.05788	0.5
173.12851	0.8
175.07471	0.5
176.04582	0.6
179.08133	0.8
191.06985	24.6
192.07338	0.5
193.08560	27.0
199.14436	0.4
203.11987	0.5
207.13893	0.6
225.14711	0.5
227.10025	0.6
301.95779	0.5
314.14771	0.7
342.14410	2.1
361.83664	0.4
380.93222	0.4
388.14859	1.5
551.21344	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	551.212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02306	0.4
52.64510	0.3
53.03881	0.8
53.11593	0.3
54.11063	0.3
55.01815	4.2
58.76535	0.3
59.41512	0.3
60.04448	0.3
66.04648	0.6
69.03348	0.6
69.06971	0.3
70.06505	3.9
72.08068	1.9
79.05406	11.7
79.60403	0.4
84.04426	1.5
84.08062	3.7
85.02817	1.9
86.09622	2.2
89.03835	0.9
90.04640	0.7
91.05407	6.3
95.04900	3.6
97.43525	0.3
102.04621	0.4
102.05460	0.4
103.05404	27.9
105.06970	100.0
106.07298	2.6
107.04875	1.7
110.07107	0.8
115.05400	21.3
116.05707	0.5
117.06979	0.3
118.04105	13.0
119.04909	4.4
119.08535	0.4
120.08051	0.7
121.06434	0.5
129.10223	0.8
130.04114	0.8
131.04893	16.8
132.05658	2.0
133.02811	4.6
133.06454	83.3
134.06808	1.9
135.07980	0.6
136.63260	0.3
137.05974	3.5
137.08992	0.4
139.53621	0.3
143.04944	1.1
143.05988	5.8
145.06529	0.5
146.03615	1.7
147.04388	4.3
148.05157	9.4
149.05910	1.5
161.05942	82.0
162.06265	2.6
163.07507	15.1
164.07997	0.4
165.05304	0.5
167.07089	0.5
173.05902	1.5
174.13510	0.4
176.04677	1.7
178.02585	0.8
189.05383	1.9
191.06990	40.0
192.07314	1.7
193.04913	7.8
193.08565	21.2
194.08853	0.5
217.04916	2.0
223.60486	0.4
242.84544	0.4
262.36725	0.4
320.43750	0.4
341.09933	0.5
371.11188	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40768	0.5
52.01434	0.6
55.01792	0.9
55.05438	3.2
56.04960	2.9
56.96482	1.7
57.03357	1.1
60.04446	1.3
67.05402	1.2
68.04929	0.9
69.03337	1.7
69.06969	3.8
70.02831	0.9
70.06509	100.0
71.04903	1.1
71.06831	1.8
72.08068	15.1
74.05968	1.6
77.78504	0.6
79.05381	1.2
81.03317	1.4
81.06963	1.2
82.02867	2.5
83.06009	1.5
84.04421	11.4
84.08070	22.3
85.02805	3.7
86.09631	25.3
87.05531	0.8
87.09975	0.9
88.03883	1.1
91.05408	28.8
91.19715	0.8
93.06969	1.6
93.56329	0.7
95.04884	3.1
95.08524	1.5
96.04424	7.2
97.02853	1.0
97.06441	0.9
98.05981	1.6
101.07108	0.8
102.05461	1.8
103.05385	4.0
105.06966	3.6
107.04876	1.8
108.08047	1.0
108.72910	0.8
109.06441	4.5
110.05974	1.6
110.07103	8.8
112.08604	0.8
113.07185	0.9
115.08628	1.7
116.07033	1.3
117.06922	0.9
118.06485	1.2
119.04900	15.6
119.08448	0.8
120.08038	7.9
121.06442	1.3
123.04397	1.7
127.03840	1.1
127.08656	0.9
129.10190	12.1
130.04958	1.4
131.04878	4.0
131.08479	0.8
133.06450	1.1
134.06010	0.8
135.06769	0.8
136.07555	92.5
137.05984	8.3
137.06973	1.3
137.07919	1.6
137.09514	1.2
143.11795	0.7
145.10091	0.9
146.05963	4.4
147.04395	1.3
149.06001	1.3
151.07556	1.2
151.08661	9.2
153.10156	0.8
159.09143	1.0
161.05870	1.4
163.07487	1.4
167.06953	1.4
170.09561	0.8
172.07498	2.7
179.08105	10.8
180.13652	0.7
185.08847	0.7
188.07042	3.5
189.05542	0.7
189.08939	0.9
200.06990	3.2
201.05486	1.8
207.07610	1.7
209.09656	0.8
217.09532	1.5
283.13220	2.7
297.12219	2.6
301.14236	1.0
302.85748	0.7
314.14935	17.4
315.13068	0.9
325.11505	1.1
342.14407	13.2
342.73294	0.9
343.12646	1.1
345.14294	1.1
360.15610	1.2
388.14935	15.0
389.21933	1.1
407.22891	1.5
425.24002	1.5
442.67862	0.8
473.27521	1.2
491.28943	20.7
505.20547	3.3
523.21490	2.9
551.21381	33.7
551.30408	1.6
552.20886	1.4
577.82428	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51243	0.3
60.04464	0.3
74.02355	0.7
79.25632	0.3
82.98336	0.3
86.44833	0.3
91.05410	0.6
92.10257	0.7
92.25019	0.3
115.05399	1.5
117.05695	1.2
117.06958	2.5
118.06490	28.8
119.06833	0.4
130.06508	1.9
131.07317	0.3
132.08055	8.5
142.06522	3.2
143.07278	3.3
144.04408	0.5
144.08064	20.2
145.08420	0.4
146.05984	98.8
147.06352	3.0
159.09151	8.5
160.07539	1.4
170.05966	6.9
185.24362	0.3
188.07025	100.0
189.07361	3.7
205.09686	26.2
206.10052	0.7
305.69742	0.3
359.06818	0.3
438.51892	0.3
482.31802	0.3
548.01215	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26996	0.3
56.96505	0.7
62.11721	0.3
67.17629	0.3
68.08401	0.3
70.06516	2.2
70.49767	0.3
72.08064	1.4
84.04424	0.7
84.08073	1.8
85.02823	0.4
86.09637	1.9
103.05387	1.5
105.06967	1.5
109.29877	0.4
110.07115	0.8
120.08068	1.4
129.10210	0.8
131.04927	2.0
133.06422	0.6
136.08984	0.4
137.05951	3.9
159.03299	0.5
161.05949	0.5
163.07523	0.6
184.02835	3.7
187.02809	1.4
188.03200	0.3
189.06424	0.4
197.05925	0.8
202.03865	2.2
209.06073	0.4
215.07111	1.5
217.08540	1.7
219.10136	0.6
227.07010	0.5
235.09467	2.6
245.08022	0.8
246.14850	0.7
247.11218	0.4
248.09726	0.4
260.09296	0.3
261.09125	0.3
264.13794	1.6
265.12250	4.6
266.10611	3.5
267.13611	0.4
278.11887	0.4
279.10153	1.9
281.11798	0.4
282.14935	0.8
283.13226	14.4
284.11465	4.4
286.13354	0.6
291.10233	1.3
294.93323	0.4
297.11066	0.4
301.14368	5.2
302.12677	0.4
308.12817	1.5
309.11194	9.6
311.12842	0.4
323.17340	0.5
323.93195	0.3
326.13763	1.7
327.12292	3.1
341.18564	3.3
342.18472	0.4
346.21786	0.7
349.17920	0.6
352.13165	0.5
356.16434	0.6
359.19714	0.7
360.19461	0.5
364.22751	1.7
371.21185	0.5
375.15781	0.5
389.22137	5.9
393.16788	0.6
407.23212	12.5
408.23584	0.8
425.24283	14.3
455.26605	0.6
473.27795	7.6
474.28281	0.4
491.28958	100.0
492.29276	7.7
551.31049	8.4
552.31091	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81721	3.5
57.07028	4.3
59.06054	6.2
70.06502	4.3
81.06971	3.7
88.07568	3.6
92.10250	7.1
92.64236	2.9
99.04402	7.1
104.10679	3.5
111.21673	3.3
136.14153	3.4
147.64166	3.6
256.26367	13.9
267.46286	3.4
280.35779	3.4
321.20670	4.2
385.61465	3.5
442.88922	3.4
550.44440	6.9
551.33362	100.0
551.42554	5.7
551.45270	6.8
552.33502	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	552.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02673	0.2
53.03872	0.3
55.01800	1.4
55.05449	0.4
56.04962	0.6
57.03364	0.6
59.51641	0.3
60.04442	0.6
61.02847	1.4
65.03856	0.4
67.05426	0.7
67.72428	0.3
67.90388	0.3
69.03345	2.9
69.06970	0.7
70.06503	7.2
71.04919	0.3
72.08054	2.7
74.05994	0.5
79.05382	0.7
81.03320	1.7
81.06969	1.3
84.04415	2.6
84.08073	3.9
85.02341	0.6
85.02823	11.0
86.09617	3.6
87.04333	0.3
91.05393	3.4
92.10893	0.6
93.07004	0.4
94.04097	1.5
95.04874	1.2
95.08530	1.7
97.02826	3.1
98.06003	0.4
99.04399	0.3
102.05482	0.6
103.04706	0.3
103.05386	1.4
103.09573	0.3
103.24648	0.3
105.06959	2.6
107.04903	1.6
107.08549	0.5
109.02830	1.6
109.06467	0.7
109.10087	1.5
110.07107	1.8
111.04396	1.3
115.05395	2.0
115.08647	0.3
117.06947	0.6
119.04878	1.3
119.08529	1.5
120.08046	1.7
121.02860	0.3
121.06469	1.3
121.10119	2.4
122.03594	5.4
123.08027	0.7
125.05966	0.4
127.03873	1.4
129.10211	1.7
131.04881	2.0
133.06429	1.5
133.10034	0.4
135.04305	0.7
135.11685	2.3
136.07536	0.6
137.05945	100.0
137.09480	2.8
138.06291	1.5
139.11089	0.5
143.04898	2.1
145.04938	1.3
145.06442	3.0
147.04375	1.4
149.06007	2.9
150.06741	0.7
151.03845	2.4
151.07539	0.3
153.05392	0.4
159.04388	1.4
160.05174	2.3
161.05896	3.2
163.07576	0.4
165.06969	0.5
167.07037	0.4
173.05928	4.2
174.06715	0.5
175.03906	0.6
175.07443	3.6
175.14696	0.7
177.05441	1.5
177.06891	1.2
178.07755	0.4
179.07040	0.5
179.08492	0.5
181.06424	0.5
186.03018	2.4
187.03929	1.1
188.04663	0.4
189.05464	0.6
189.07086	0.5
191.08528	0.6
193.15788	2.4
194.07278	1.1
195.07997	0.5
199.03932	0.4
201.05403	8.8
202.05664	0.4
203.06996	2.3
204.04103	0.4
205.06468	8.0
206.07190	1.2
207.06454	8.8
207.08119	0.9
209.04407	1.4
213.05379	0.4
215.03249	0.4
217.06499	0.7
219.06256	3.0
219.08133	1.3
221.05859	1.5
222.06725	3.7
223.07582	0.6
225.09106	0.4
227.06985	0.5
231.06432	1.9
233.05916	7.2
234.06650	4.6
235.07513	1.5
237.09036	7.0
239.06871	0.7
240.07603	0.4
245.06064	0.4
247.07454	1.8
249.05249	1.0
249.09048	0.7
250.06155	7.4
251.06876	2.6
257.69916	0.3
261.05417	1.3
262.06140	1.8
263.06973	1.3
264.07736	3.0
265.08527	15.9
266.09106	2.1
267.06433	1.3
268.07193	1.2
275.06723	0.4
277.05362	0.8
277.08554	3.0
278.05753	3.4
278.08359	0.5
279.06467	1.8
279.10120	1.9
281.08099	0.6
282.08847	1.9
283.09595	4.6
290.05753	0.7
292.07233	6.4
293.07993	13.8
293.11172	0.6
294.08578	1.4
295.06085	0.5
295.09232	0.4
297.11157	3.6
305.08105	2.5
307.09555	12.0
308.10056	1.2
309.11154	1.9
310.08282	2.7
311.09125	1.5
311.12540	0.4
311.40588	0.4
322.08044	0.7
323.09061	1.6
325.10611	23.3
326.11108	0.5
337.10608	4.8
343.11664	20.3
344.11957	0.6
355.11667	10.6
373.12769	1.6
439.17474	0.6
552.26410	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02673	0.2
53.03872	0.3
55.01800	1.4
55.05449	0.4
56.04962	0.6
57.03364	0.6
59.51641	0.3
60.04442	0.6
61.02847	1.4
65.03856	0.4
67.05426	0.7
67.72428	0.3
67.90388	0.3
69.03345	2.9
69.06970	0.7
70.06503	7.2
71.04919	0.3
72.08054	2.7
74.05994	0.5
79.05382	0.7
81.03320	1.7
81.06969	1.3
84.04415	2.6
84.08073	3.9
85.02341	0.6
85.02823	11.0
86.09617	3.6
87.04333	0.3
91.05393	3.4
92.10893	0.6
93.07004	0.4
94.04097	1.5
95.04874	1.2
95.08530	1.7
97.02826	3.1
98.06003	0.4
99.04399	0.3
102.05482	0.6
103.04706	0.3
103.05386	1.4
103.09573	0.3
103.24648	0.3
105.06959	2.6
107.04903	1.6
107.08549	0.5
109.02830	1.6
109.06467	0.7
109.10087	1.5
110.07107	1.8
111.04396	1.3
115.05395	2.0
115.08647	0.3
117.06947	0.6
119.04878	1.3
119.08529	1.5
120.08046	1.7
121.02860	0.3
121.06469	1.3
121.10119	2.4
122.03594	5.4
123.08027	0.7
125.05966	0.4
127.03873	1.4
129.10211	1.7
131.04881	2.0
133.06429	1.5
133.10034	0.4
135.04305	0.7
135.11685	2.3
136.07536	0.6
137.05945	100.0
137.09480	2.8
138.06291	1.5
139.11089	0.5
143.04898	2.1
145.04938	1.3
145.06442	3.0
147.04375	1.4
149.06007	2.9
150.06741	0.7
151.03845	2.4
151.07539	0.3
153.05392	0.4
159.04388	1.4
160.05174	2.3
161.05896	3.2
163.07576	0.4
165.06969	0.5
167.07037	0.4
173.05928	4.2
174.06715	0.5
175.03906	0.6
175.07443	3.6
175.14696	0.7
177.05441	1.5
177.06891	1.2
178.07755	0.4
179.07040	0.5
179.08492	0.5
181.06424	0.5
186.03018	2.4
187.03929	1.1
188.04663	0.4
189.05464	0.6
189.07086	0.5
191.08528	0.6
193.15788	2.4
194.07278	1.1
195.07997	0.5
199.03932	0.4
201.05403	8.8
202.05664	0.4
203.06996	2.3
204.04103	0.4
205.06468	8.0
206.07190	1.2
207.06454	8.8
207.08119	0.9
209.04407	1.4
213.05379	0.4
215.03249	0.4
217.06499	0.7
219.06256	3.0
219.08133	1.3
221.05859	1.5
222.06725	3.7
223.07582	0.6
225.09106	0.4
227.06985	0.5
231.06432	1.9
233.05916	7.2
234.06650	4.6
235.07513	1.5
237.09036	7.0
239.06871	0.7
240.07603	0.4
245.06064	0.4
247.07454	1.8
249.05249	1.0
249.09048	0.7
250.06155	7.4
251.06876	2.6
257.69916	0.3
261.05417	1.3
262.06140	1.8
263.06973	1.3
264.07736	3.0
265.08527	15.9
266.09106	2.1
267.06433	1.3
268.07193	1.2
275.06723	0.4
277.05362	0.8
277.08554	3.0
278.05753	3.4
278.08359	0.5
279.06467	1.8
279.10120	1.9
281.08099	0.6
282.08847	1.9
283.09595	4.6
290.05753	0.7
292.07233	6.4
293.07993	13.8
293.11172	0.6
294.08578	1.4
295.06085	0.5
295.09232	0.4
297.11157	3.6
305.08105	2.5
307.09555	12.0
308.10056	1.2
309.11154	1.9
310.08282	2.7
311.09125	1.5
311.12540	0.4
311.40588	0.4
322.08044	0.7
323.09061	1.6
325.10611	23.3
326.11108	0.5
337.10608	4.8
343.11664	20.3
344.11957	0.6
355.11667	10.6
373.12769	1.6
439.17474	0.6
552.26410	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91238	4.6
55.05443	34.2
57.07000	10.0
62.01431	5.1
64.33612	6.2
67.05400	10.3
69.06979	15.4
70.06492	14.6
79.05392	10.2
79.18826	5.5
79.82771	5.3
80.68983	4.9
81.06987	45.9
83.08534	50.8
84.08048	11.3
86.09618	34.1
91.05372	13.1
93.06998	20.1
95.08524	36.3
97.10107	8.8
103.98228	6.7
105.06969	51.0
107.08549	50.7
109.10085	32.1
113.05940	9.3
117.26827	6.5
119.08520	38.0
121.10079	66.3
123.11633	14.8
129.10170	6.0
131.08543	27.3
133.10057	29.6
137.13208	41.0
141.05397	10.6
143.08554	23.3
145.10095	33.4
147.11664	27.2
149.05937	6.7
152.15494	5.8
156.09308	7.3
157.10083	40.7
158.10825	7.7
159.11674	39.0
160.01166	6.7
161.09456	7.1
163.14740	23.3
169.39461	7.9
171.11639	31.8
173.13210	39.7
175.14795	6.7
181.15813	13.4
183.11571	6.5
184.07335	12.4
185.13161	8.6
187.14731	11.0
193.12212	7.1
199.14801	98.6
201.16360	7.0
211.13190	79.4
212.13458	6.1
213.16393	61.6
231.13596	12.2
245.15225	82.2
259.16910	30.0
261.44641	6.3
291.15817	100.0
305.17313	10.6
368.00641	6.3
425.30099	15.1
446.26599	7.2
471.30682	34.5
499.30197	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	553.056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20195	0.9
94.92928	1.4
99.67561	1.1
102.27745	1.0
104.81847	1.2
141.08719	1.3
161.26952	1.2
209.95618	6.8
210.94022	100.0
251.17810	1.6
282.11032	1.1
351.59222	1.4
366.04385	1.4
373.26370	1.4
381.07861	17.2
560.92249	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05436	1.2
67.05423	5.4
69.03342	1.3
69.06977	1.5
70.06493	3.8
71.04894	5.0
71.51294	0.6
72.08049	1.4
78.39030	0.6
79.05423	1.0
80.78964	0.7
81.03337	4.8
81.06973	4.9
83.04916	0.8
83.08525	1.0
84.04391	1.1
84.08059	4.1
85.02811	6.8
86.09606	4.2
90.39555	0.6
91.05389	0.9
93.06947	0.8
95.04889	0.9
95.08529	4.9
97.02853	0.7
103.05336	0.8
107.08546	1.1
109.02805	1.5
109.10096	13.8
110.07102	1.2
119.08481	0.9
120.08052	3.2
125.05917	0.9
127.03923	1.3
129.05389	0.9
129.10117	1.2
133.01892	1.0
133.02808	16.9
135.08031	3.9
137.05951	5.3
137.09587	22.2
140.24532	0.8
149.05966	1.4
155.10643	1.0
161.02263	0.7
163.07440	0.8
165.05476	1.5
165.09048	10.7
175.14722	1.6
175.27197	0.9
178.02579	7.3
193.04918	100.0
193.15857	0.8
194.05266	1.3
201.11116	0.8
201.34319	0.7
206.68622	0.7
211.16832	0.7
229.17963	0.7
309.13257	1.0
327.14355	1.5
553.25391	0.7
570.93085	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55173	0.3
53.00222	0.5
53.03892	0.9
54.82000	0.5
55.01803	1.0
55.05438	2.0
56.04961	0.8
57.03360	2.6
60.04465	5.3
61.02857	2.9
67.05418	2.5
69.03338	5.5
69.06973	2.0
70.06509	14.2
71.04906	0.9
71.06834	0.5
72.08061	4.9
73.02814	0.8
74.05986	1.0
79.05399	2.5
81.03329	2.9
81.06968	5.1
83.04904	0.5
83.06011	0.5
83.37348	0.4
84.04436	4.1
84.08065	6.7
85.02828	22.5
85.06400	0.5
85.08382	0.5
86.09627	8.6
87.04432	0.4
90.98480	0.4
91.03886	0.5
91.05386	3.0
92.64647	0.4
93.06976	3.4
95.08513	2.7
97.02817	6.8
99.04394	0.9
102.05471	1.0
103.05385	1.7
105.06964	1.0
107.04874	0.8
107.08530	2.5
109.02827	2.2
109.10112	2.4
110.07105	4.4
115.05387	3.4
117.06975	2.3
119.04892	0.5
119.08524	1.6
120.08054	2.6
121.10085	2.2
122.03610	0.5
123.08004	0.5
124.05163	0.4
124.98991	0.4
127.03847	2.3
128.06187	5.4
129.06967	27.3
129.10185	3.3
130.05087	0.5
130.07603	0.5
131.04915	4.3
131.08542	5.8
132.05670	0.5
133.06410	0.8
133.10036	0.7
135.08029	0.7
135.11574	0.7
136.07506	0.9
137.05949	19.3
137.09569	0.5
141.06889	0.5
141.10229	0.6
143.04892	0.9
143.08557	1.0
144.05661	2.3
145.04951	2.2
145.06454	2.9
146.07230	2.8
147.08000	1.7
147.11584	0.5
149.05978	1.7
149.13322	0.6
151.03876	0.7
151.07440	0.6
155.04909	8.3
157.06467	9.6
158.07245	6.5
159.04384	2.1
159.07983	0.6
160.05161	5.7
161.05901	3.9
161.09592	1.9
163.07483	1.0
164.08340	1.0
167.07024	6.5
172.05208	4.8
173.05945	5.2
174.06726	50.1
175.07515	19.7
176.08017	0.5
177.05443	1.6
177.09007	1.8
180.08595	0.7
180.32286	0.4
183.04375	1.9
187.07507	39.6
188.08183	0.6
189.09067	42.1
190.09357	1.0
191.06993	0.6
201.05426	3.5
203.06985	5.6
205.04916	9.3
205.08545	0.6
207.10077	0.5
208.10910	1.8
215.06999	20.2
215.08945	0.9
221.05966	1.7
221.09424	0.5
225.09021	0.9
233.08038	100.0
234.08415	3.1
251.09068	17.1
253.08577	2.9
267.10220	0.5
278.24731	0.7
285.11142	5.4
309.11270	0.9
320.25714	0.8
327.12207	4.4
338.26874	2.0
345.13168	3.1
356.27856	2.7
374.28976	0.8
462.28955	0.4
491.28830	0.5
529.13763	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64571	0.8
51.67933	0.7
53.03878	4.1
55.01809	1.6
55.05444	1.3
57.03382	1.3
69.03351	12.7
69.06962	0.8
70.06505	3.8
71.04897	4.9
73.02837	1.1
81.03333	14.2
81.06989	1.1
83.08513	1.1
84.08072	1.7
85.02824	67.0
86.09630	1.6
91.05396	1.0
92.10889	2.7
94.20778	0.8
95.08537	1.0
97.02827	13.2
97.10088	1.0
99.03722	1.4
99.04382	46.2
103.03876	100.0
109.02828	17.4
110.07158	1.6
113.90479	0.9
121.10056	1.0
126.90780	1.1
127.03872	82.7
137.05942	7.0
140.22659	1.0
143.08549	2.2
145.04936	30.1
163.05983	30.7
163.07399	1.4
171.07977	1.4
175.11188	1.4
187.06013	1.9
203.10541	4.3
205.06967	1.6
213.18427	1.7
235.13240	15.9
271.08057	1.8
289.09055	1.5
297.41104	1.1
307.10294	8.2
382.25485	1.0
385.07703	1.0
454.60126	1.1
483.22137	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00253	0.7
53.03879	1.6
55.01799	3.4
55.05222	0.9
55.05450	15.2
56.04966	3.7
57.03376	5.0
57.07006	11.4
60.04446	3.4
61.02853	6.3
67.05418	3.0
69.03354	13.7
69.06989	100.0
70.06511	21.3
71.04907	1.5
72.08067	9.3
73.02836	1.1
74.05972	1.4
79.05404	3.4
81.03343	7.3
81.06987	13.4
83.04877	3.5
83.05982	1.2
83.08545	6.9
84.04436	10.6
84.08068	10.8
85.02831	58.4
85.06464	1.8
85.08399	0.7
86.09630	18.2
87.04400	1.3
88.03909	0.8
91.03871	1.0
91.05396	4.3
93.04452	1.4
93.06963	8.1
95.04888	1.1
95.08543	19.4
97.02827	16.6
97.06461	7.1
97.10106	12.4
99.04365	1.4
99.08011	0.8
99.11645	3.0
100.87440	0.8
101.07072	1.3
102.05466	4.5
103.05421	7.3
105.06943	4.7
107.04887	1.5
107.08540	13.2
109.02849	5.6
109.06441	1.4
109.10107	6.5
110.07117	22.8
111.08051	5.1
111.11671	24.1
113.07140	0.8
116.07011	1.5
119.04878	4.5
119.08513	1.5
120.08042	4.8
121.02804	1.3
121.10090	22.6
122.07137	0.9
123.04358	0.6
123.11672	3.5
125.09561	7.5
126.05455	1.1
127.03888	9.9
129.06523	0.6
129.10220	5.5
131.04904	11.3
133.06436	1.0
133.10045	1.3
135.11658	7.9
136.07538	3.9
137.05980	5.4
137.09621	0.9
137.13223	9.7
139.10103	1.3
139.11148	24.7
145.04953	11.1
148.03247	0.7
149.06003	0.8
149.13165	1.3
151.03862	3.7
151.07539	3.1
155.14212	0.7
159.09114	1.1
161.05991	0.9
163.06013	3.5
163.07423	1.5
165.70628	0.8
167.06976	3.8
174.06747	0.9
175.07419	0.9
177.05379	0.8
177.16347	23.3
178.08565	0.9
178.13286	1.2
182.19031	0.9
195.17410	25.4
213.18457	35.6
223.15472	0.9
233.07855	0.8
237.02855	0.8
307.09204	0.9
325.10907	0.8
374.18579	1.0
553.43439	1.9
554.43323	1.0
555.23645	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	554.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55835	1.4
55.05455	4.6
57.07017	59.6
69.06987	3.6
71.08550	42.7
73.06475	8.6
81.06998	2.3
83.08564	3.1
85.10111	18.9
86.30836	1.9
87.04395	3.2
89.05958	100.0
91.05740	20.0
91.35516	1.8
95.94446	1.7
96.05171	2.0
107.07030	9.6
133.08583	35.9
159.08691	2.3
177.11151	17.4
196.65733	2.4
223.06319	4.9
225.04230	14.3
237.73236	2.3
299.06171	4.6
299.29456	7.5
327.20059	13.7
343.31943	2.6
355.06873	2.7
468.12494	2.4
537.43347	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	555.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98830	1.1
53.00237	1.5
53.03888	3.1
55.01804	3.1
55.05449	14.1
56.04970	5.6
57.03368	16.1
57.07012	5.8
58.86980	1.1
60.04451	3.2
61.02844	5.4
67.05421	23.1
69.03348	35.5
69.06985	23.1
70.06135	2.9
70.06506	68.7
71.01263	1.3
71.04901	22.8
71.06831	1.8
72.08065	29.0
73.02817	2.6
74.05983	5.9
79.05405	23.9
81.03339	11.3
81.06971	86.4
83.04899	11.7
83.06015	2.7
83.08541	3.1
84.04418	20.9
84.08064	46.3
85.02813	21.3
85.06464	7.4
85.08372	1.9
86.09621	35.9
87.04360	2.0
88.03944	2.0
91.05402	24.2
93.06972	44.8
95.04896	38.3
95.08530	40.4
97.02834	5.8
97.06452	11.4
98.02313	1.6
98.97541	1.4
99.04391	10.3
99.08009	7.0
101.07085	1.4
102.05488	6.8
103.05388	15.3
105.06976	30.9
107.04903	3.1
107.08537	31.3
109.06463	68.7
109.10095	32.4
110.07114	19.1
111.08045	2.5
112.08655	1.6
113.05932	2.0
115.05410	2.6
115.08640	1.6
116.07035	1.8
117.06961	7.8
119.04908	13.6
119.08534	37.8
120.08053	23.3
121.06419	5.8
121.10099	29.6
123.08034	5.3
123.11660	31.5
125.05962	5.5
125.09622	2.6
127.07563	2.8
127.11144	5.8
129.06923	2.1
129.10182	23.7
130.05028	1.9
130.08641	1.5
131.04892	23.4
131.08490	7.5
133.02837	2.6
133.06424	5.8
133.07399	1.2
133.10086	13.6
135.08026	11.0
135.11629	13.9
136.07549	7.8
137.05959	34.4
137.09630	7.7
137.13225	17.2
139.11139	1.9
143.08533	7.6
145.10091	16.5
147.04379	2.3
147.11604	9.1
149.05887	1.5
149.09595	5.9
149.13258	2.0
151.03877	1.9
151.07520	8.0
151.11143	3.2
153.12666	2.5
157.10126	6.2
159.11665	6.2
161.05936	11.8
161.06981	3.7
161.09520	2.2
161.13222	5.8
163.07512	5.8
163.11150	2.5
165.09061	3.4
165.12689	2.7
167.07027	3.2
169.10013	1.6
169.12109	2.5
170.05988	8.5
171.11546	2.2
173.13206	5.8
175.07547	6.3
175.11115	2.1
175.14722	1.8
177.05397	1.4
177.16328	2.5
179.06931	6.3
186.06554	1.7
187.07498	5.9
188.08150	39.5
189.08464	1.3
189.16315	2.0
193.15814	1.8
195.17390	2.1
197.13013	1.5
199.14748	6.8
201.12589	1.3
202.08583	2.5
214.06084	2.0
216.07649	5.0
217.15683	2.2
232.07127	23.0
234.08679	6.4
235.16820	2.2
237.18810	1.8
259.08203	89.4
260.08609	5.7
283.18860	2.8
285.22049	2.7
289.13974	1.5
291.22906	1.9
294.11142	1.7
303.23145	21.3
309.24521	1.5
311.12665	2.3
321.24088	17.1
339.25067	3.1
341.13663	2.1
375.13074	5.5
382.60831	1.4
393.13980	100.0
394.14090	9.2
555.19025	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	0.6
55.01805	5.9
55.05439	0.6
57.03357	2.6
57.06984	0.3
61.02839	1.9
64.34176	0.3
65.03857	1.7
67.05420	2.5
69.03349	6.1
69.06970	1.4
69.43329	0.4
70.06496	2.2
71.04895	0.8
72.08059	0.6
73.02826	0.4
76.57196	0.4
77.03867	0.5
79.05407	4.7
81.03322	2.5
81.06968	5.1
81.35867	0.4
82.07290	0.4
83.08549	0.7
84.04411	0.8
84.08060	2.4
85.02829	14.4
86.09611	2.0
86.61190	0.3
91.05403	42.9
93.06973	4.1
94.04095	1.7
95.04882	5.6
95.08532	4.1
97.02811	3.7
97.10098	0.6
99.04376	0.5
102.04599	0.7
103.05402	27.6
105.03333	8.1
105.06972	17.1
107.04905	7.1
107.08570	0.9
108.05676	0.8
109.02876	0.8
109.06464	12.2
109.10082	3.7
110.07130	0.7
111.08070	0.5
115.05386	4.7
117.06984	2.8
118.04066	0.9
118.07168	0.4
119.04893	59.1
119.08524	2.8
120.05193	0.4
120.30047	0.4
121.06466	6.3
121.10104	0.9
122.03586	5.9
123.04405	0.4
123.08003	4.5
123.11652	3.8
127.03872	2.1
128.06200	0.6
129.06926	3.3
130.04112	1.7
131.04890	41.7
131.08536	0.4
132.05652	0.5
133.02798	3.4
133.06453	12.9
133.07382	0.8
135.04384	1.7
135.08005	2.2
136.05194	1.5
137.05948	100.0
137.13225	0.7
138.06293	1.6
143.04900	0.7
144.05670	0.9
145.04935	1.7
145.06432	3.4
146.03612	0.6
147.04373	23.6
147.08015	3.0
147.09091	0.6
149.05951	5.3
150.06706	0.6
151.07515	23.1
151.08693	0.8
157.06409	2.6
159.08008	3.8
160.05125	2.8
161.05942	25.3
161.09564	0.7
162.06747	6.9
163.07498	22.1
165.05438	1.5
165.06900	0.7
167.06999	1.6
167.91911	0.5
172.05159	2.4
173.06021	0.5
174.06737	0.9
175.07494	18.6
176.07971	0.4
177.05455	1.4
177.09019	3.6
177.16313	0.4
178.07776	0.5
179.06996	14.3
179.08447	0.9
179.17894	2.0
187.07495	11.6
187.09108	0.5
188.08131	0.8
189.06949	0.4
189.09035	2.7
190.06161	0.8
190.07782	0.9
191.07008	0.6
191.08473	3.8
193.08545	6.2
193.10127	0.7
194.07217	2.0
197.18976	0.7
199.07510	0.6
201.09097	0.5
203.08577	2.7
205.06679	0.8
205.08531	6.4
207.07935	0.9
208.08925	0.5
209.09624	0.4
217.08545	3.1
218.07237	0.6
219.08006	7.0
219.10106	1.4
220.08755	1.6
221.05882	0.9
221.09605	0.9
222.06783	1.6
231.07957	1.8
233.09586	0.8
235.07481	1.7
235.09633	0.7
236.08263	1.6
237.09097	1.5
247.07468	3.1
248.08237	1.6
249.09138	0.9
251.10567	6.1
253.08472	0.5
253.12206	1.0
259.07681	1.7
260.08423	1.9
261.09039	0.8
263.06934	0.4
263.10547	0.5
264.07733	0.8
265.08521	4.5
266.09158	0.4
267.10007	0.9
269.11783	0.4
276.07782	0.5
279.10083	6.3
280.10788	0.7
291.10028	2.6
295.09552	0.7
296.10391	0.9
297.11078	3.7
299.12766	1.5
309.11130	13.1
310.11765	1.7
311.12686	9.6
312.13019	0.6
313.14355	2.4
323.12686	2.0
325.14310	0.8
327.11945	0.5
329.13644	2.7
341.13770	7.9
342.13956	0.4
343.15317	0.6
359.14917	2.9
393.14172	1.8
394.14246	1.4
424.18552	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01814	5.9
55.05434	0.7
56.04957	0.7
57.03373	0.5
60.14182	0.4
65.03854	1.8
67.05412	1.0
68.74519	0.4
69.03339	1.0
69.06951	0.5
70.06507	5.4
71.04902	0.7
71.14194	0.4
72.08057	2.3
72.26097	0.4
77.03830	0.5
79.05405	6.6
80.06149	0.5
81.03322	0.6
81.06964	3.9
83.05954	0.4
84.04417	2.1
84.08072	3.2
84.15793	0.5
84.82140	0.4
85.02827	2.5
86.09605	2.4
91.05401	53.4
92.63910	0.4
93.06956	4.5
94.04128	1.7
95.04896	6.1
95.08525	1.1
97.02824	0.9
103.05396	17.3
105.03334	10.0
105.06277	0.6
105.06970	15.3
106.07275	0.7
107.04884	6.3
107.08515	0.5
108.05689	0.6
109.06461	13.6
109.10103	0.6
110.07102	2.0
115.05406	3.6
117.06950	2.0
118.04089	0.9
119.04887	73.9
119.08526	2.2
120.05164	0.6
120.07983	1.4
121.06439	6.4
121.10086	0.5
122.03584	5.0
123.04440	1.0
123.08002	6.3
123.11635	0.8
124.05173	0.4
128.06161	0.7
129.06946	2.2
129.10191	1.9
130.04112	2.1
131.04880	19.6
132.05629	0.5
133.02788	2.5
133.06451	14.1
134.03593	0.6
135.04384	0.9
135.08028	1.8
136.05174	1.1
136.08742	0.5
136.49019	0.4
137.05945	100.0
138.06296	2.2
143.04926	0.8
143.06021	0.6
144.05716	0.7
145.06448	3.1
147.04382	26.3
147.08005	3.0
147.62494	0.4
149.05937	7.9
150.06708	2.5
150.78711	0.6
151.07513	27.1
157.06436	0.6
159.08012	4.2
160.05161	2.3
161.05937	30.4
161.09497	0.5
162.06723	12.8
163.07477	4.2
163.74194	0.4
165.05411	1.1
172.05203	0.9
173.05838	0.6
174.06630	0.5
175.07487	21.5
179.06990	19.8
179.08510	1.0
187.07483	11.1
189.06900	0.6
190.06207	1.9
190.07797	0.5
191.08539	2.7
193.06747	0.7
193.08553	8.1
199.07423	0.5
202.07486	0.6
203.08539	3.5
205.08536	13.8
207.08078	0.8
217.08510	2.0
218.07195	0.6
219.08038	6.2
220.08627	0.6
231.08075	2.9
235.07523	0.7
235.09631	3.9
236.08217	1.8
247.07433	2.6
248.08270	1.7
249.09065	0.5
251.10632	4.1
253.08786	0.5
259.07626	1.9
260.08374	0.7
263.10632	1.9
264.07574	0.6
265.08658	0.8
269.11591	0.6
276.07913	0.5
279.10110	4.4
285.11151	0.9
291.10065	3.4
296.10376	0.7
297.11041	0.8
309.11136	11.8
311.12595	7.2
323.12701	2.9
329.13763	5.0
341.13773	6.4
359.14862	1.7
501.98724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02311	0.5
53.03877	0.6
55.01805	5.1
55.05439	0.5
56.04978	1.7
57.03371	1.0
60.04450	0.7
61.02850	0.6
65.03870	1.7
67.05415	0.6
69.03350	3.2
69.06978	0.9
70.06504	16.9
71.04898	0.4
71.06847	0.5
72.08063	5.1
74.05981	0.6
77.03853	0.6
79.05402	5.4
81.03339	1.8
81.06966	2.7
83.06006	0.4
84.04428	4.2
84.08061	6.8
85.02813	8.2
86.09623	7.8
87.04433	0.5
88.03901	0.6
91.05399	46.8
93.06961	4.8
94.04098	2.1
95.04881	6.0
95.08559	0.8
96.04411	0.4
97.02821	1.9
97.06522	0.4
98.05973	0.5
102.04673	0.6
102.05474	0.9
103.05395	52.9
105.03335	8.4
105.04501	0.4
105.06965	28.0
107.04894	5.8
107.08563	0.8
108.05644	1.8
109.02813	0.6
109.06463	10.5
110.07108	5.4
111.04369	0.9
115.05393	5.4
115.08635	0.5
117.06951	2.9
118.04099	2.2
119.04887	70.7
119.08521	0.9
120.05227	0.7
120.08055	2.1
121.06461	5.7
121.10056	0.5
122.03595	5.2
123.04416	0.7
123.08020	5.9
124.05135	0.6
125.05927	0.6
127.03893	0.7
129.06932	3.8
129.10193	5.5
130.04102	0.9
131.04884	100.0
132.05141	0.8
133.02805	7.9
133.06451	25.1
135.04416	0.6
135.07993	1.8
136.05159	1.0
136.07507	1.6
137.05940	85.0
138.06296	1.8
143.04926	1.0
143.06046	2.4
143.11824	0.6
144.05687	0.5
145.06445	2.5
146.07225	0.8
147.03188	0.8
147.04372	22.2
147.08005	3.1
149.05939	5.5
150.06729	1.8
151.03860	1.9
151.07507	23.5
152.07901	0.6
153.05405	0.5
157.06442	2.6
159.04509	0.5
159.08028	4.2
160.05208	3.1
161.05931	60.2
162.06703	8.5
163.07491	28.0
165.05426	2.8
165.06862	0.6
167.06996	0.5
172.05132	2.2
174.06694	0.7
175.07491	16.9
177.05431	0.9
177.09024	0.5
179.06975	14.7
179.08559	0.5
187.07513	13.0
189.07262	0.4
189.08952	3.1
190.06180	0.9
191.08524	2.5
193.06598	0.4
193.08519	3.7
194.09071	0.6
199.07384	0.5
202.07767	0.8
203.08556	0.9
205.06633	0.7
205.08495	9.0
212.85991	0.4
217.08589	2.4
219.08080	5.5
219.10028	0.7
220.08846	0.6
231.08014	2.6
235.07489	0.5
235.09628	2.2
240.75470	0.4
247.07495	2.0
248.08209	1.1
251.10600	5.1
253.08400	0.5
259.07452	0.8
263.10562	0.6
269.11545	0.6
276.07657	0.5
279.10037	4.8
281.08194	0.4
291.10059	4.8
296.10281	1.5
309.11096	7.9
310.11539	0.5
311.12662	10.4
323.12720	4.3
329.13739	2.3
341.13748	6.6
359.14679	2.5
403.26242	0.5
556.10846	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30653	2.0
52.09792	2.0
53.56021	1.9
55.01795	2.5
55.05449	13.5
56.04973	9.9
60.04447	12.1
61.02862	2.0
67.05418	9.3
68.77583	2.1
69.03340	8.2
69.06982	21.1
70.02897	2.1
70.06136	4.7
70.06506	98.5
71.04909	24.0
72.08071	45.3
74.05985	10.9
76.02126	4.8
76.56430	2.5
79.05400	9.9
81.06963	31.2
82.06491	2.5
83.04932	2.0
83.06007	4.6
84.04434	32.7
84.07594	3.8
84.08064	77.2
85.02808	14.9
85.06464	4.3
86.09621	57.3
86.10107	3.4
86.98934	2.2
87.05495	3.1
88.03928	3.4
91.05390	13.4
93.06968	29.3
94.46542	2.1
95.04890	9.4
95.08528	23.4
97.02816	9.3
97.06443	15.8
98.17391	2.4
101.07062	2.5
101.10667	2.1
102.05473	15.5
105.06969	22.7
107.04876	2.5
107.08529	29.8
109.02843	2.4
109.06438	8.3
109.10097	17.3
110.07098	31.8
111.08044	10.9
111.38012	1.9
112.08675	3.0
113.07071	3.4
114.37331	2.4
115.08620	2.6
116.07064	2.9
117.07003	3.1
119.04873	4.4
119.08575	15.7
120.08073	11.7
121.06539	2.0
121.10091	20.9
122.03509	2.0
123.08039	2.5
123.11650	10.0
125.09575	4.8
127.11151	9.4
129.06885	3.1
129.10187	31.8
131.04890	8.0
131.08496	5.3
133.10092	23.9
134.99626	2.4
135.08034	3.3
135.11690	4.1
136.07547	18.0
137.05946	100.0
138.06310	18.7
139.11191	2.5
140.08037	3.0
143.08498	2.1
144.01102	3.0
145.10100	14.2
147.11653	11.3
149.13261	8.3
151.03900	3.9
151.07549	4.2
151.11134	11.1
153.12639	2.0
155.06966	3.2
155.08109	3.3
156.07710	2.1
156.23854	2.0
159.11705	4.2
161.06030	4.3
161.13237	2.8
163.07530	3.0
165.12712	2.7
167.07065	6.3
175.07463	3.6
175.14815	7.8
176.07817	2.9
179.04832	2.9
179.10617	2.9
187.07471	3.6
189.09068	3.1
191.17865	2.8
193.15921	2.2
201.12341	2.3
201.16403	7.8
210.64745	2.4
219.17421	9.7
227.10443	2.7
237.18436	38.9
251.12679	2.2
255.19545	12.5
273.20706	2.2
305.24551	4.4
323.25754	11.4
331.15228	3.7
338.72568	2.2
339.83392	2.1
341.13794	2.5
341.26678	9.0
353.33652	2.4
359.27890	2.7
377.28769	4.8
484.33414	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26709	0.3
53.03881	0.7
55.01805	0.7
55.05437	1.5
56.04960	1.5
56.96490	0.4
57.03377	0.4
67.05421	0.8
67.45554	0.4
69.03346	3.1
69.06976	2.1
70.06509	10.7
71.04933	0.5
72.08067	6.9
74.05990	0.9
74.42757	0.4
79.05407	6.4
81.03336	4.8
81.06953	1.7
84.04416	3.3
84.08056	6.7
85.02831	2.3
86.09629	9.6
87.09948	0.5
88.03885	0.5
91.05405	9.8
93.06970	1.0
95.04886	0.9
95.08517	1.9
97.02808	2.0
97.06446	0.8
99.04357	0.5
102.05464	0.9
104.05255	0.5
105.06959	7.5
107.04883	2.9
107.08533	31.8
109.02817	2.5
109.05801	0.3
109.06464	3.7
109.10085	0.5
110.07117	1.8
112.08679	0.4
112.60048	0.4
114.31915	0.4
115.05371	4.9
115.08682	0.3
117.06960	10.9
119.04857	0.6
119.05927	0.4
119.08536	0.5
120.08046	3.0
129.10228	3.6
130.06544	0.6
133.06415	0.5
135.08012	100.0
136.07491	0.9
136.08380	1.4
136.61700	0.4
137.05937	2.3
147.04413	0.6
151.14775	0.6
163.07498	17.8
165.09048	0.5
175.14668	0.7
181.05005	0.5
181.08557	19.1
199.09476	0.5
201.12279	3.0
209.54433	0.4
215.76433	0.5
231.75163	0.4
237.88747	0.5
325.12946	2.8
328.18597	0.7
332.65903	0.4
343.13806	8.0
395.20602	0.6
557.25348	8.6
557.63843	0.4
558.26355	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	558.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11696	0.4
51.02322	0.4
52.69321	0.4
53.03899	0.5
55.01805	2.4
55.05442	3.1
56.04958	2.6
57.03354	0.8
60.04451	2.4
61.02854	0.7
65.03855	0.9
67.05416	3.4
69.03342	4.8
69.06993	5.1
70.06509	26.2
71.04886	2.3
71.06848	0.7
72.08065	10.4
73.58620	0.5
74.05979	2.3
74.86937	0.5
77.03847	0.7
79.05411	6.8
81.03326	1.2
81.06979	12.2
82.06530	0.7
82.07288	1.1
83.04904	1.0
83.05972	0.6
84.04430	10.2
84.08064	17.9
85.02824	8.3
85.06476	4.7
85.08414	0.7
86.09627	17.2
87.09998	0.5
88.03905	1.0
91.05409	21.5
93.04462	0.6
93.06966	9.4
94.04128	0.9
95.04889	5.5
95.08527	5.5
96.08852	0.5
97.02826	3.5
97.06466	3.0
98.05962	0.6
99.04395	0.5
99.08016	3.6
101.07123	0.7
102.05479	3.5
103.05399	15.4
105.06976	11.9
106.07369	0.5
107.04894	25.8
107.08536	6.4
108.08786	0.5
109.02808	0.6
109.06461	4.2
109.10101	7.5
110.07103	8.0
110.10468	0.4
111.08029	3.2
112.08707	0.6
115.03900	0.5
115.05418	5.8
116.07028	1.0
116.98595	0.5
117.06963	3.4
119.04890	14.8
119.08553	4.8
120.05688	0.6
120.08068	4.1
121.06470	8.8
121.10100	3.6
122.02897	0.4
122.03626	5.8
122.07241	0.6
123.08007	1.0
123.11639	4.1
125.09649	0.6
126.05507	0.6
127.03830	0.9
127.07549	1.0
128.06177	0.8
129.07008	7.5
129.10193	9.8
130.04112	1.2
130.05003	0.7
130.97215	0.5
131.04893	28.8
131.08556	3.0
132.05661	0.6
133.02802	3.1
133.06491	6.8
133.10127	0.8
135.04358	0.8
135.08043	10.0
135.11658	2.3
136.05136	0.6
136.07550	2.3
137.05954	100.0
138.06299	2.2
141.09061	0.5
141.10239	0.7
143.11790	0.5
145.05016	0.9
145.06480	1.9
145.10103	1.1
146.01616	0.6
146.03596	0.6
146.06224	0.6
146.07161	3.7
147.04379	9.3
147.08015	2.8
147.11658	2.2
148.05133	2.8
149.05948	9.7
150.06696	0.6
151.03938	0.8
151.07523	26.7
152.11412	0.5
155.10605	0.5
157.06432	4.3
159.07971	0.7
159.11682	1.2
160.05168	0.6
161.05949	68.7
161.09570	16.0
162.06702	7.2
163.07507	66.3
164.07901	2.3
164.11771	0.7
165.05507	0.9
165.06940	1.1
165.09082	2.2
165.12759	0.9
167.06992	2.5
167.08452	2.2
169.06487	0.9
169.09906	0.5
171.07982	0.8
171.11270	0.5
173.13091	0.8
174.06734	3.6
175.07498	26.6
176.08127	0.9
177.05499	0.8
177.09064	11.1
177.10504	0.9
178.07802	0.9
179.07019	2.7
179.08496	0.6
179.10663	0.8
181.04924	0.7
181.06319	0.6
181.07042	0.5
181.08551	6.9
181.12149	0.8
187.07410	0.7
187.14648	0.7
189.09071	45.7
190.07797	0.6
190.09476	1.9
191.06941	1.0
193.06454	2.5
193.10179	1.9
194.07239	0.9
195.08040	6.3
201.09050	0.9
201.12135	0.6
201.16315	0.6
207.08282	1.3
207.10112	36.2
208.10529	0.8
209.09569	0.8
210.06781	1.0
212.08266	0.6
215.13972	0.8
219.10062	3.9
219.17470	0.8
221.05959	3.5
221.09550	3.0
223.07678	3.4
224.08278	0.7
225.09070	2.7
227.10660	9.4
231.17493	0.6
233.09698	0.9
237.09097	2.2
237.18425	2.0
238.18727	0.7
241.08690	0.7
241.12077	0.5
249.09090	2.0
252.07608	0.7
253.08444	3.9
253.12242	4.8
255.10188	6.8
255.19418	0.6
265.08539	2.3
265.12009	0.6
266.09329	0.7
267.10135	2.7
269.08075	1.9
272.10437	0.8
281.11679	2.4
284.10480	0.8
285.11148	5.3
285.20316	0.6
287.12701	14.6
287.23450	0.5
293.11298	0.6
297.11105	3.1
299.12750	3.2
305.24707	1.0
311.12747	6.9
313.14310	21.2
313.18008	0.8
314.14453	0.8
323.25659	1.1
325.14243	5.8
331.15344	35.8
332.15723	2.4
343.15378	6.0
359.27695	0.8
361.16367	1.2
403.03207	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	0.7
55.01794	2.1
57.03369	1.8
61.02834	1.4
65.40624	0.8
67.05379	0.8
67.07010	0.9
69.03340	7.6
70.06490	5.1
71.04924	0.8
72.08057	2.0
78.99024	0.8
79.05392	4.5
81.03331	1.9
81.06941	3.6
84.04411	1.0
84.08044	4.6
85.02830	9.7
86.09602	3.4
91.05396	20.3
93.06967	3.4
95.04888	3.6
97.02789	5.6
102.04617	1.0
103.05400	26.8
105.06963	12.2
107.04895	31.7
107.08563	1.3
107.45862	0.8
109.06441	1.6
109.10088	1.2
115.05420	7.1
117.06945	5.0
119.04895	16.6
119.08459	0.9
119.12114	0.9
121.06456	8.4
122.03615	6.5
122.07265	1.1
127.03839	1.3
128.06175	1.0
129.06941	5.8
129.10170	1.6
130.04076	1.8
131.04889	46.8
131.08525	1.9
133.02782	1.6
133.06410	5.6
135.08032	8.6
136.05124	1.3
137.05949	100.0
138.06239	1.9
143.04906	0.9
145.06415	3.4
146.07243	3.2
147.04384	13.9
147.07986	1.7
148.05121	1.5
149.05954	7.2
150.06769	0.9
151.07515	32.1
157.06392	5.2
159.07950	1.3
160.05223	1.3
161.05937	66.2
161.09557	16.1
162.06587	5.6
163.07498	75.4
164.08034	1.6
165.06970	1.1
165.09044	1.2
167.08585	1.3
168.49753	0.8
174.06676	1.9
175.07512	16.2
177.05435	3.4
177.09047	20.7
179.06967	4.3
181.08514	5.1
187.07545	1.3
189.09073	36.6
191.06976	1.6
191.49683	0.9
193.08511	3.9
193.10080	1.0
194.07277	1.1
195.07967	4.8
195.09880	1.5
203.10568	1.4
207.08113	1.4
207.10089	27.9
209.09470	1.0
219.10158	8.4
221.05942	1.5
221.09610	1.8
221.11655	3.8
222.06479	0.8
223.07385	4.1
223.17056	0.9
225.09013	1.7
227.10634	8.9
233.09540	3.2
237.09102	1.9
238.06013	0.9
249.09134	2.1
253.08434	4.0
253.12210	3.8
255.10098	5.2
258.52145	1.0
265.08612	3.6
267.10086	1.9
269.08008	1.2
269.11542	1.1
281.11661	1.4
285.10989	4.9
287.12601	10.5
293.11551	1.0
297.11130	1.4
299.12497	2.8
311.12659	15.1
313.14331	10.5
325.14163	2.0
331.15308	31.3
343.15164	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	558.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69545	0.2
55.05453	0.4
56.04976	1.1
57.05757	0.2
60.04457	1.2
67.05429	0.3
67.20334	0.2
69.03349	1.0
69.06986	4.2
70.06511	54.2
71.04911	0.3
71.06831	0.7
72.08069	3.1
73.08379	0.2
74.05992	0.5
79.05395	0.2
81.03335	0.3
81.06982	1.0
84.04432	2.6
84.08067	4.1
85.02825	0.9
85.08419	0.2
86.05994	0.8
86.09628	100.0
87.09959	1.3
88.03915	0.2
90.58331	0.2
92.72034	0.2
93.06933	0.4
95.08533	1.1
97.06458	0.2
98.97498	0.2
101.07085	0.2
102.05476	1.3
103.05424	0.3
105.06969	0.3
107.04895	0.4
107.08562	0.3
109.02847	0.3
109.10130	0.2
110.07127	1.3
111.09171	0.2
112.03899	3.2
116.07037	0.4
119.08537	0.2
120.08071	2.1
121.06397	0.2
123.11647	0.3
129.10202	1.8
130.05025	0.3
136.07538	0.3
137.05931	1.1
155.11852	0.2
157.09758	0.2
170.35057	0.2
172.09663	0.3
173.12816	0.2
175.14690	0.3
180.78635	0.2
185.09073	0.2
197.12836	0.3
199.18024	0.3
203.10240	24.5
203.94382	0.2
204.10599	0.3
225.12306	5.8
243.13341	6.8
298.12482	0.2
328.22217	3.0
356.21701	3.7
359.16446	0.3
545.64795	0.2
557.25391	0.4
558.12500	0.3
558.25708	2.3
559.31531	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.69571	0.2
74.02358	1.5
86.09682	0.3
91.05418	0.4
110.09829	0.2
115.05409	1.4
117.05705	0.3
117.06960	1.4
118.06487	25.9
118.58737	0.2
129.10197	0.9
130.06496	2.5
132.08046	8.7
142.06482	2.7
143.07271	3.8
144.04442	0.9
144.08055	19.4
146.05983	93.8
147.06323	1.5
159.09142	8.9
160.07446	1.7
170.05965	7.4
188.07022	100.0
189.07317	2.2
205.09680	24.2
206.10033	0.4
212.55530	0.3
237.27141	0.3
333.18542	0.3
428.09183	0.3
454.68497	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2744
Annotation	3beta-Hydroxysolanascone beta-sophoroside
Peak:m/z	Relative Intensity
51.37130	0.7
53.03880	1.6
53.25633	0.9
55.01815	1.7
55.05444	5.6
56.04974	2.2
56.96513	0.7
57.03370	4.8
60.04443	4.1
60.72630	0.9
61.02851	7.2
67.05418	3.8
69.03350	22.4
69.03699	1.4
69.06985	3.9
70.06137	1.4
70.06508	33.7
71.04896	3.7
72.08062	12.9
73.02837	1.4
74.06002	1.2
79.05418	1.0
81.03310	7.3
81.06976	5.5
83.06021	1.1
84.04418	10.8
84.08064	19.8
85.02827	58.0
86.09624	23.8
87.04419	1.9
87.09950	0.9
88.03912	1.0
91.05422	5.2
92.10931	1.7
93.06985	3.5
95.08544	3.9
97.02824	19.4
97.06464	1.6
98.97524	0.8
99.04390	3.8
101.03661	0.9
102.05469	2.2
103.03884	1.1
103.05404	1.2
105.06976	9.5
107.04894	1.1
107.08528	7.3
109.02860	4.9
109.06477	0.9
109.10122	3.4
110.07118	6.8
110.28013	1.0
115.08651	1.1
116.07027	1.4
117.07007	1.2
119.04895	3.4
119.08521	16.7
120.08063	9.3
121.06474	2.1
121.10175	3.1
123.08051	3.6
126.27869	1.0
127.03835	9.1
128.06996	1.1
129.06602	0.8
129.09335	1.3
129.10184	9.2
131.04924	1.1
131.08563	4.3
133.10098	13.5
133.84149	1.0
135.08008	4.4
135.11615	1.2
136.07565	1.8
137.05922	8.0
137.09576	2.1
141.10239	1.0
142.07799	1.0
143.08507	3.8
145.04974	5.5
145.10094	4.9
147.08070	1.9
147.11656	3.9
149.09624	1.4
151.14760	1.1
156.09402	1.3
157.10103	3.7
159.11636	5.5
161.09544	9.6
163.06044	1.0
163.07498	1.5
163.11172	2.0
167.06929	1.3
168.31917	0.8
171.11739	2.0
171.69756	0.8
173.09482	1.1
173.13176	3.5
174.10304	1.1
175.11087	8.1
175.14803	10.0
177.12697	15.1
199.14796	5.1
203.05235	1.1
204.15082	3.4
205.15846	6.5
217.15765	13.2
218.16235	1.1
219.17491	4.2
235.16879	100.0
236.17233	6.0
236.94534	1.0
308.40240	0.9
379.24500	9.9
397.21918	19.3
406.25146	1.0
416.17429	1.0
529.29810	1.2
559.30682	95.7
560.30994	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	559.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85061	0.7
51.30639	0.5
53.03875	1.5
54.81939	0.7
55.01812	1.2
55.05443	3.4
56.04967	1.8
56.33431	0.6
56.96498	1.0
57.03368	4.7
60.90487	0.7
61.02841	5.3
62.52438	0.7
63.30590	0.8
67.05419	3.2
69.03003	1.2
69.03348	22.4
69.06987	3.9
70.06136	1.1
70.06510	25.9
70.40305	0.7
71.04904	3.2
72.08064	8.5
73.02809	1.2
74.10303	0.7
79.05398	1.7
81.03344	6.1
81.06976	4.4
83.04917	0.9
83.05991	0.7
84.04417	7.3
84.08056	15.1
85.02822	47.2
86.09628	19.3
87.04407	3.4
87.09962	0.9
91.03866	1.9
91.05405	5.2
93.06985	3.6
95.04888	0.8
95.08533	4.6
97.02814	15.6
98.88373	0.7
98.97476	1.2
99.04374	1.1
100.37138	0.8
102.05456	3.1
103.05405	1.0
105.06976	8.3
107.04883	1.6
107.08552	5.2
109.02837	5.5
109.10094	1.4
110.07108	5.5
112.44354	0.6
115.08652	0.7
117.06987	0.7
119.08546	13.6
120.08069	8.0
121.06474	1.0
121.10085	3.0
121.92551	0.8
123.08038	1.6
127.03882	7.7
129.06958	0.9
129.10205	6.2
130.04994	1.0
131.08606	1.7
133.10098	12.4
135.08029	1.5
135.11674	1.0
136.07518	2.7
137.05942	6.7
137.09647	1.2
141.10233	0.8
143.08478	1.4
145.04939	4.2
145.10088	1.7
147.08008	1.1
147.11673	4.8
149.05962	1.2
149.09616	1.8
149.13300	0.9
153.61795	0.7
157.10124	5.0
159.11678	3.7
161.06012	0.9
161.09578	6.9
161.13274	0.9
163.11179	3.1
167.07018	1.2
167.82344	0.7
173.13216	3.5
174.10381	1.0
175.11139	7.9
175.14761	5.7
177.12729	11.0
199.14806	3.8
203.05331	1.2
204.15120	3.7
205.15877	4.3
215.14098	0.8
217.15814	13.4
217.17749	0.9
219.17455	4.2
235.16870	86.7
236.17267	3.8
314.14539	0.9
323.12775	0.9
379.24475	9.2
397.21799	15.8
459.14172	1.1
507.17786	0.8
559.30774	100.0
560.31128	3.9
589.71790	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
64.68304	1.0
69.55563	1.0
88.07501	1.1
135.22395	1.1
228.46031	1.3
251.89003	1.2
256.26392	1.3
559.51636	100.0
560.51929	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	560.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60368	0.4
53.03884	2.2
54.82043	0.5
55.01804	1.0
55.05451	2.4
55.77799	0.5
56.04961	0.6
57.03368	0.6
57.98372	0.6
61.02810	0.5
67.05083	0.9
67.05429	21.3
69.03344	5.0
70.06510	11.6
71.04894	1.3
72.08073	4.5
74.05991	0.9
79.05405	3.3
81.03336	15.7
81.06973	14.0
84.04423	3.8
84.08060	5.5
85.02817	3.8
86.09631	8.3
88.01072	0.6
91.05418	4.8
93.06989	4.1
95.04868	4.1
95.08533	7.9
97.02848	4.1
97.03413	0.7
99.04385	2.6
99.07997	0.6
105.06943	0.5
107.08521	2.2
108.04414	2.4
109.02828	9.4
109.06461	2.2
109.10106	52.8
109.59366	0.5
110.07124	5.0
119.08516	4.6
120.08047	3.2
125.05964	1.1
126.05453	0.7
127.03891	5.3
129.10185	3.4
135.08002	2.8
137.06013	2.1
137.09592	100.0
138.09879	2.2
155.10573	4.2
161.05835	0.7
165.09079	46.1
167.07013	0.8
183.10139	3.3
201.11044	4.3
239.89868	0.6
291.12122	1.2
309.13232	22.3
327.14322	8.1
345.15045	2.4
503.66858	0.7
559.30078	3.4
560.30408	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	561.1938
Annotation	Diandraflavone
Peak:m/z	Relative Intensity
54.82447	0.3
55.05447	1.4
56.04971	1.2
60.04451	0.6
60.21763	0.3
61.13279	0.2
62.48766	0.2
63.30145	0.3
63.34900	0.2
70.06504	11.5
71.06821	0.3
72.08067	10.7
73.08366	0.4
74.06014	0.3
79.72629	0.3
81.03191	0.3
81.06992	0.3
83.01031	1.7
83.06022	0.4
84.04418	4.4
84.08065	9.8
85.02820	0.6
86.09625	5.7
91.05402	1.3
94.50622	0.3
95.01033	4.4
95.04858	0.3
96.01812	2.0
102.05490	1.5
103.05398	0.4
106.59156	0.3
107.04861	0.4
110.07130	1.4
112.01308	1.3
113.02077	5.4
115.08578	0.3
117.10197	0.4
119.04897	0.5
120.08070	0.5
126.02853	0.5
127.08591	0.3
129.10196	8.9
131.04903	2.1
136.07579	0.5
137.05954	1.4
138.09140	0.4
141.05225	0.7
147.04367	0.3
149.05930	0.3
151.07492	0.6
152.06961	0.4
155.08119	0.6
157.04625	0.9
161.05963	0.4
163.07497	0.6
167.03127	1.2
183.11342	0.4
185.04192	10.3
185.05708	1.5
186.12401	2.1
187.03712	0.6
189.08879	0.4
201.03694	2.1
202.05972	9.0
203.05098	2.7
221.07939	0.5
222.63309	0.3
228.13605	0.4
268.75760	0.4
289.75870	0.3
312.20590	0.3
313.04584	0.3
365.11984	2.7
391.96793	0.4
399.14001	0.4
561.19354	100.0
561.28448	6.8
562.19568	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	561.1938
Annotation	Diandraflavone
Peak:m/z	Relative Intensity
54.82447	0.3
55.05447	1.4
56.04971	1.2
60.04451	0.6
60.21763	0.3
61.13279	0.2
62.48766	0.2
63.30145	0.3
63.34900	0.2
70.06504	11.5
71.06821	0.3
72.08067	10.7
73.08366	0.4
74.06014	0.3
79.72629	0.3
81.03191	0.3
81.06992	0.3
83.01031	1.7
83.06022	0.4
84.04418	4.4
84.08065	9.8
85.02820	0.6
86.09625	5.7
91.05402	1.3
94.50622	0.3
95.01033	4.4
95.04858	0.3
96.01812	2.0
102.05490	1.5
103.05398	0.4
106.59156	0.3
107.04861	0.4
110.07130	1.4
112.01308	1.3
113.02077	5.4
115.08578	0.3
117.10197	0.4
119.04897	0.5
120.08070	0.5
126.02853	0.5
127.08591	0.3
129.10196	8.9
131.04903	2.1
136.07579	0.5
137.05954	1.4
138.09140	0.4
141.05225	0.7
147.04367	0.3
149.05930	0.3
151.07492	0.6
152.06961	0.4
155.08119	0.6
157.04625	0.9
161.05963	0.4
163.07497	0.6
167.03127	1.2
183.11342	0.4
185.04192	10.3
185.05708	1.5
186.12401	2.1
187.03712	0.6
189.08879	0.4
201.03694	2.1
202.05972	9.0
203.05098	2.7
221.07939	0.5
222.63309	0.3
228.13605	0.4
268.75760	0.4
289.75870	0.3
312.20590	0.3
313.04584	0.3
365.11984	2.7
391.96793	0.4
399.14001	0.4
561.19354	100.0
561.28448	6.8
562.19568	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	561.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82339	0.4
53.44530	0.4
55.01802	0.5
55.02081	0.4
57.03377	0.8
59.04934	0.6
64.34351	0.5
69.03343	2.2
70.06486	0.7
72.08067	0.5
73.02811	0.5
74.02367	0.6
81.03348	0.8
82.02855	2.6
84.08046	0.7
85.02824	10.4
87.04396	0.7
91.03885	0.5
94.06479	3.5
97.02824	3.7
98.97531	1.7
99.04452	0.5
101.18382	0.5
104.04950	0.5
108.63929	0.5
110.07082	0.5
116.98540	1.9
117.33925	0.5
120.08060	1.8
127.03883	2.1
128.98561	0.6
130.06491	97.7
131.06868	1.7
132.04417	46.7
133.04868	0.7
134.06009	3.7
145.04935	2.1
146.05931	0.5
146.99664	1.1
147.09218	0.6
148.07495	3.8
156.06793	0.7
157.07587	91.7
158.05981	100.0
158.08058	3.2
159.06363	0.9
159.09123	1.2
160.07605	1.0
162.05455	7.7
170.99666	0.6
175.08633	86.9
176.06993	3.2
176.08961	2.5
177.00661	0.6
185.07068	4.4
186.05458	3.5
187.85826	0.5
189.00658	0.8
199.05344	0.7
203.08116	81.9
204.06569	12.3
204.08450	2.2
219.01680	0.8
221.09180	48.1
237.02742	3.2
265.05997	5.2
266.06290	0.7
272.29358	0.6
313.60095	2.0
314.10098	0.7
314.59436	0.6
340.76138	0.5
355.11258	0.6
379.09033	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	561.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	0.8
55.01801	1.2
55.05444	3.6
56.04967	1.7
56.96500	1.0
57.03380	1.6
60.04446	1.1
61.02842	1.5
61.96722	0.5
67.01731	0.5
67.05412	2.9
67.30125	0.6
69.03342	8.3
69.06982	2.7
70.06503	22.9
71.04899	5.9
72.08057	12.6
73.02827	1.0
74.05979	1.6
81.03314	2.6
81.06972	11.6
83.04902	2.9
84.04415	7.3
84.08058	12.3
85.02819	17.9
86.03217	0.8
86.09628	15.2
87.04408	0.8
91.05407	2.9
92.10242	1.5
93.06974	5.1
95.06066	0.6
95.08520	2.7
97.02808	6.0
97.06457	1.6
99.04333	0.9
102.05463	1.4
103.05417	0.8
105.06970	3.2
107.08537	6.2
109.02843	1.4
109.06458	4.8
109.10095	3.0
110.07116	6.5
111.08045	1.7
115.08669	0.8
119.04924	0.8
119.08525	5.2
120.08068	4.3
121.06469	4.0
121.10088	2.6
123.08037	4.1
127.03899	2.9
129.10141	6.2
130.06464	0.8
131.08548	1.3
133.06500	0.7
133.10086	5.8
133.18658	0.7
135.08018	5.7
135.11751	1.0
136.07520	3.1
137.05902	1.1
141.10292	0.8
145.04945	1.5
145.10117	2.7
147.11682	0.9
149.09579	0.8
149.13289	0.9
157.10110	2.9
159.07848	0.8
159.09186	1.0
159.11656	5.9
161.09543	6.7
161.13202	1.1
167.06870	0.7
170.12460	0.8
173.13103	1.5
175.11128	5.1
175.14830	1.5
177.12692	100.0
178.13071	4.7
183.14819	0.7
191.14426	0.7
199.14825	1.6
203.05252	3.5
204.15080	1.0
205.15834	2.6
211.13103	1.6
217.15802	8.8
218.16211	0.8
234.69972	0.7
235.16864	79.0
236.17259	2.6
253.17906	59.6
254.18321	1.4
373.18365	4.0
381.25967	7.6
415.23193	3.8
531.30963	0.8
561.18317	18.7
561.32306	69.3
562.17621	3.5
562.32623	2.7
575.32703	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69132	2.0
52.56908	2.0
85.17889	2.1
92.10852	2.2
140.80458	2.3
167.31839	2.8
190.42860	2.6
250.75363	2.5
290.07623	2.6
308.85300	2.6
423.08798	2.6
473.91806	2.7
561.41235	100.0
562.41351	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	562.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05446	2.3
57.03360	0.6
65.03848	0.4
66.67617	0.3
67.05437	0.4
67.50962	0.3
69.03342	5.1
71.04898	0.4
72.60756	0.3
79.05397	1.5
81.03333	0.7
83.04893	5.5
83.05349	0.5
84.77185	0.3
85.02824	3.1
91.05404	6.8
95.04887	0.6
103.05355	0.5
104.06203	0.4
105.06968	1.9
107.08540	5.7
107.36214	0.3
108.42793	0.3
109.06485	0.3
111.04379	2.0
116.23014	0.4
117.06955	2.2
119.08530	100.0
120.08856	0.8
123.07987	0.6
129.05424	0.5
133.06467	10.6
133.07477	0.6
135.08011	3.1
157.10011	0.4
165.24733	0.3
171.11635	0.4
216.46663	0.3
235.14742	0.4
263.12836	3.5
279.36450	0.4
307.11603	0.6
397.20007	1.4
411.17776	0.5
480.65335	0.3
508.75507	0.4
531.27502	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	563.2098
Annotation	His Tyr Glu Asp
Peak:m/z	Relative Intensity
54.16623	0.3
54.81498	0.4
55.05443	0.7
56.04977	0.6
56.96484	0.4
60.04445	0.3
63.09559	0.3
64.33211	0.4
66.00773	0.4
69.03338	0.3
70.06509	9.2
71.06847	0.4
72.08064	3.7
74.05991	0.7
83.01033	1.4
83.06075	0.3
84.01805	0.4
84.04426	3.1
84.08071	7.8
85.02834	0.6
86.09628	7.7
88.03944	0.3
89.59309	0.3
92.10863	0.3
95.01003	2.7
95.08543	0.3
96.01804	1.7
101.07117	0.6
102.05512	1.1
103.05399	0.4
107.04886	0.6
110.07133	2.2
112.01303	1.3
112.08660	0.4
113.02077	4.1
115.08662	0.4
119.04900	0.3
120.08077	2.8
121.06443	0.4
126.02808	0.3
127.08620	0.4
129.10211	3.8
131.04930	0.7
135.08043	0.4
137.05910	1.1
139.28108	0.3
141.05174	0.4
149.05951	0.4
152.05563	0.5
157.04723	0.8
159.04176	1.4
163.07478	0.4
167.03178	0.5
185.04170	7.0
185.05594	0.5
189.05241	0.6
201.03662	1.5
202.05998	0.6
203.05197	3.8
204.07568	6.4
205.08183	0.5
231.09116	0.4
305.98651	0.4
351.10559	0.4
365.12100	1.7
366.12564	0.4
401.15695	0.4
563.20892	100.0
564.21155	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	563.34
Annotation	12,34-Oxamanzamine E
Peak:m/z	Relative Intensity
52.58311	0.6
55.05452	1.2
56.04964	3.2
56.96494	1.1
60.04445	1.7
63.17342	0.7
65.85056	0.7
69.06969	0.9
69.16712	0.6
70.06505	25.4
71.22373	0.8
72.08073	8.9
74.05994	1.1
77.87790	0.7
81.06988	1.2
83.06031	1.1
84.04424	9.1
84.08054	13.9
85.02824	1.6
86.09624	16.2
86.11201	0.7
87.05558	0.7
87.09949	0.8
91.05424	1.4
97.02860	1.1
102.05507	1.1
103.05425	1.1
105.06969	0.9
107.04917	1.2
109.02818	1.0
110.07107	8.0
112.08678	0.8
115.08604	1.4
120.08060	7.0
129.10181	5.7
130.04968	1.2
131.04886	0.9
131.08562	0.9
136.07539	2.8
137.06012	3.1
140.07080	0.8
143.72383	0.7
151.03944	0.8
159.09229	2.6
167.07051	1.0
170.42226	0.7
203.05240	4.7
231.09096	4.0
239.05882	0.9
257.06934	4.2
275.08118	1.6
299.07816	1.3
353.26624	1.4
383.27551	15.9
401.11539	1.0
401.28586	2.9
414.28360	0.9
562.32959	3.2
563.16235	5.1
563.33893	100.0
564.34082	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	564.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43219	1.2
54.81897	1.1
56.04979	1.2
57.03380	10.4
58.08313	1.2
59.04923	1.2
67.05385	1.2
69.03340	31.9
70.06496	7.0
72.08060	2.5
74.33327	1.4
75.04397	2.0
77.28244	1.3
78.20284	1.6
84.04444	2.1
84.08064	2.9
85.02830	26.0
86.09612	7.6
87.04388	12.2
91.05408	2.7
95.04880	1.6
97.02818	17.8
103.05462	2.0
105.06998	3.3
107.04894	48.4
107.08545	1.9
110.07100	1.8
115.03877	11.0
120.05666	5.8
120.08063	1.7
124.80878	1.6
129.10139	2.3
133.04924	10.8
135.08022	12.5
147.04404	2.1
148.05161	1.6
149.05975	1.4
163.07486	45.7
165.05444	6.5
167.07063	2.5
180.06177	3.2
180.07762	100.0
195.10118	80.3
213.11279	1.9
222.25594	1.3
253.14268	13.5
347.99811	1.5
456.27823	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00243	0.2
53.03889	0.2
55.01807	1.3
55.05444	1.3
57.03366	1.2
65.03865	0.3
69.03353	3.6
71.04913	0.3
73.02816	0.8
75.04353	0.2
79.05416	1.6
79.54324	0.2
81.03332	0.9
83.04903	3.8
85.02837	1.1
91.05408	7.1
93.06949	0.3
95.04893	0.5
97.02756	0.2
103.05392	1.2
104.06189	0.8
104.10677	0.2
105.06988	3.5
107.08529	3.4
109.06463	0.2
111.04401	2.1
114.17515	0.2
117.06966	2.3
119.08540	100.0
120.08868	1.9
123.08041	1.9
124.36156	0.2
129.05453	2.3
133.06467	24.3
133.07503	1.3
135.08046	1.4
151.07520	0.3
176.38718	0.2
195.85080	0.2
199.11180	0.2
205.08626	0.2
244.89758	0.2
279.12186	3.5
413.19586	1.3
547.26758	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23735	0.3
50.49326	0.4
55.05450	0.8
55.52622	0.3
57.03366	0.8
57.13399	0.3
69.03344	1.9
79.05403	2.5
81.03345	0.7
83.04887	2.1
91.05397	2.3
95.04865	0.4
103.05373	0.5
105.06965	8.9
107.08540	5.8
111.04388	2.7
117.06934	0.6
119.08537	24.5
123.08028	6.5
129.05438	1.1
133.06459	100.0
134.06833	1.0
135.08008	2.2
188.37361	0.6
200.96608	0.5
279.12274	5.9
337.43530	0.5
395.18127	0.6
413.19458	6.3
541.48779	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90530	0.2
54.06347	0.2
65.02564	0.2
71.93517	0.3
72.08064	1.9
74.02351	0.6
86.09647	1.2
89.03835	0.2
91.05419	0.6
115.05412	1.2
117.05679	0.5
117.06970	1.9
117.77375	0.3
118.06494	28.1
119.06774	0.4
130.06499	2.6
132.08061	8.2
142.06499	2.6
143.07281	3.0
144.04420	0.6
144.08067	17.9
145.06392	0.3
145.08409	0.4
146.05988	92.0
147.06378	2.3
159.09148	8.5
160.07533	1.3
170.05981	7.1
188.07030	100.0
189.07370	3.3
202.14932	0.2
205.09689	24.5
206.10005	0.4
271.12317	0.4
282.11389	1.6
291.82294	0.3
327.11243	0.4
344.14032	0.4
385.49323	0.3
518.78448	0.3
591.02100	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	1.6
55.01809	2.1
55.05449	7.8
56.04956	4.8
56.96484	1.1
57.03369	4.9
59.04924	4.9
60.04446	4.0
60.05563	0.7
61.02849	5.2
67.05421	4.0
69.03347	22.9
69.06985	10.2
70.06136	1.8
70.06504	42.7
71.04896	3.8
71.06843	1.5
72.08067	23.9
73.02831	1.5
74.05973	4.2
79.05401	5.0
81.03328	6.1
81.06979	8.0
83.04900	5.1
83.06010	1.5
83.08524	1.1
84.04416	10.1
84.08059	24.0
85.02822	43.5
85.06467	1.5
86.09622	30.7
87.04379	9.5
87.05509	2.3
87.10021	1.0
88.03918	1.6
90.56968	0.9
91.05375	6.7
93.06960	22.3
95.04876	2.2
95.08514	10.2
97.02818	18.8
97.06484	3.7
99.04340	2.1
99.36980	0.9
100.11138	1.1
101.05960	1.9
101.07041	1.6
102.05489	4.6
103.05389	3.5
105.03317	1.0
105.06976	15.7
105.80600	1.0
107.04902	1.5
107.08537	21.2
108.50414	0.9
109.02824	4.1
109.06451	8.2
109.10083	3.8
110.07120	16.2
110.09567	0.9
111.08016	4.0
112.08704	1.4
113.05976	1.2
115.08638	1.1
116.07071	1.2
117.06950	2.2
119.08535	14.0
120.08037	13.2
121.06431	1.6
121.10077	12.2
123.08025	10.6
123.11667	1.6
125.05964	1.1
126.05434	0.9
127.03876	10.9
129.10173	13.5
130.04991	1.3
130.06435	1.0
131.08481	1.5
133.06430	2.3
133.10071	7.2
135.08009	2.3
135.11659	1.3
136.07524	5.1
137.05969	5.7
137.09576	5.1
138.09061	1.0
139.11136	16.8
141.09184	1.1
141.10245	1.4
142.07732	1.0
143.08549	1.1
145.04926	5.6
145.10101	1.8
147.08000	2.0
147.11644	18.7
149.09604	5.1
151.07507	5.6
151.11154	32.4
156.07675	1.7
156.09261	1.8
159.11536	5.7
161.09555	1.8
161.13217	20.5
163.11162	3.4
163.97302	0.9
165.09077	1.6
165.12720	1.7
171.11574	5.1
174.10356	1.2
177.12698	4.2
179.14241	2.1
187.14432	1.1
189.12689	23.6
193.04889	1.8
201.12367	2.1
207.13753	67.5
215.08093	1.9
222.07545	1.6
223.16772	1.1
225.14803	100.0
226.15224	1.4
228.13783	1.6
235.10652	1.9
237.14261	2.2
238.65834	1.2
240.13327	1.0
240.56702	1.0
243.07503	1.3
243.15833	1.6
246.14949	3.9
333.39630	0.9
369.18988	4.0
378.12845	1.0
387.12125	1.1
387.19983	25.5
388.20190	1.3
430.95380	1.0
549.25159	1.1
566.27905	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03888	0.4
54.81732	0.3
55.01797	1.6
55.05434	0.7
56.04958	0.8
56.20610	0.3
56.96495	0.7
57.03372	0.6
60.04426	0.5
61.02841	1.5
64.68375	0.3
65.03833	0.4
67.05428	0.4
69.03348	2.6
69.06979	1.6
70.06503	34.2
71.04902	0.5
71.06823	2.1
72.08066	3.2
74.05977	0.8
78.04613	0.8
79.05405	3.1
80.65947	0.3
81.03328	1.5
81.06958	0.4
83.05996	0.6
84.04419	4.6
84.08061	8.9
85.02825	6.7
85.04733	0.4
86.09616	11.7
86.10104	0.6
87.09956	0.8
88.03905	0.8
90.04484	0.4
91.05401	9.0
93.06953	0.7
95.04883	2.1
97.02808	2.0
98.97502	0.6
101.07040	0.5
102.05466	2.1
103.05395	3.4
105.04386	0.4
105.06958	5.5
106.04080	1.6
107.04890	6.9
107.08501	0.5
109.02837	0.6
109.06434	0.6
110.07108	3.6
115.05371	2.0
117.06956	2.6
118.04087	0.8
119.04910	2.8
119.08565	2.3
120.08051	5.1
121.06422	2.0
122.03606	0.4
123.04372	4.7
123.07995	0.5
124.05165	2.8
127.03872	1.3
128.06163	1.3
129.06960	5.5
129.10175	5.2
131.04903	3.2
132.05641	1.8
133.02812	0.5
133.06447	4.5
135.04295	0.5
136.05159	2.2
136.07549	0.7
137.05991	2.3
140.04651	0.8
141.06929	0.4
141.10190	4.7
141.41678	0.3
142.10573	0.7
143.04932	0.5
144.05669	0.8
145.04831	0.7
145.06493	3.5
146.99594	0.4
147.04347	1.2
147.08000	4.2
148.05070	0.4
149.05963	1.3
151.03864	1.8
151.07478	5.4
152.04712	2.5
153.05411	1.7
155.04837	0.6
156.05704	0.4
157.06427	0.7
159.08018	4.2
159.09184	0.6
160.05145	1.4
161.05922	9.0
162.06615	0.7
163.07524	0.7
167.06989	100.0
168.07349	1.7
169.06482	0.4
169.09680	2.2
172.05112	1.3
173.05992	0.6
174.06702	0.7
175.07489	16.0
176.04646	0.5
176.07843	0.5
177.05461	0.7
178.07722	0.4
179.06982	12.5
179.08336	0.6
180.08650	0.7
183.14886	4.7
184.15227	0.5
184.58318	0.4
185.05872	0.4
187.07484	8.7
189.06938	0.6
189.09007	1.3
189.12282	0.4
190.07742	0.5
191.06941	5.4
191.08418	0.7
193.08574	3.1
199.07512	3.5
202.07802	0.6
203.08508	1.4
205.08481	3.0
206.07196	0.7
208.08771	0.4
209.07942	0.7
211.14421	1.4
216.03374	0.4
217.06555	0.6
217.08553	1.3
218.05180	0.4
218.07259	1.5
219.08008	1.5
220.08694	0.5
221.09589	2.8
223.07422	0.6
223.09470	0.7
231.07935	0.8
232.08807	0.5
233.09549	0.8
234.04442	0.6
234.06651	3.3
235.07449	1.3
235.09627	0.4
236.05951	1.4
237.02858	0.8
237.09030	0.6
239.10690	0.4
241.08583	0.5
246.06764	0.5
247.07568	0.7
249.09016	3.5
250.09756	0.4
251.06999	1.5
253.08589	0.4
255.06697	0.4
259.07581	0.4
260.05820	0.6
261.09024	1.9
262.06168	0.3
263.07068	0.7
264.17111	0.6
265.08554	0.7
266.09366	0.8
277.08597	1.8
279.06360	0.4
281.11642	4.3
283.09592	0.6
286.17511	4.1
287.17786	1.4
289.08420	1.5
293.11523	0.5
294.08734	0.7
295.09296	0.4
306.09061	0.7
307.09570	1.8
309.11148	3.4
310.11749	0.5
311.09088	0.6
321.11136	1.8
322.11829	0.5
326.11539	2.7
327.12018	0.5
328.39111	0.3
339.12094	0.5
341.13718	10.7
342.13913	0.4
353.13712	4.9
359.14841	5.6
362.08994	1.4
371.14783	8.7
380.10220	0.5
381.96558	0.4
389.15778	1.3
501.02924	0.4
508.14615	1.5
567.34772	1.4
568.34814	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01802	3.6
55.05444	3.3
55.99742	1.2
56.04969	3.0
56.41186	1.3
56.96483	1.8
60.04456	1.8
61.02856	1.7
67.05416	2.4
69.03354	11.0
69.06984	7.6
70.06139	2.2
70.06506	54.4
71.04901	3.8
71.06833	1.7
72.08070	29.1
74.05998	2.3
79.05417	11.3
81.03334	2.7
81.06981	3.0
84.04426	18.3
84.08059	32.4
85.02815	24.3
86.09626	36.2
88.03924	2.4
90.15883	1.5
91.05395	21.1
93.06978	4.0
95.04889	6.1
95.08543	3.2
97.02822	3.9
98.97519	1.6
102.05472	3.6
103.05393	8.2
105.06966	30.0
106.07290	1.6
107.04923	12.0
107.08543	8.7
109.06478	3.3
109.10104	2.6
110.07123	17.4
111.04420	1.6
112.08704	2.5
115.05445	11.5
115.08662	2.0
116.07027	2.5
117.06966	6.9
118.04137	2.0
119.04870	3.9
119.08543	16.8
120.08067	17.4
121.06433	2.5
121.10115	2.1
122.03595	1.9
122.07311	2.1
123.04373	6.6
123.11650	3.3
124.05150	3.0
127.03884	2.8
128.06206	6.2
129.06972	11.6
129.10178	20.5
130.06537	3.0
131.04872	14.2
131.08557	2.5
132.05788	11.6
133.06456	24.1
133.10095	3.0
134.99579	1.6
135.08011	3.2
136.07536	1.9
137.05936	15.5
137.09558	5.7
141.06898	1.7
143.04916	1.7
145.04921	2.7
145.06497	2.4
147.04381	2.0
147.08023	13.7
147.11578	1.7
148.05176	1.8
150.06750	2.3
153.05493	2.3
153.42143	1.7
159.09181	2.4
160.05168	7.3
161.05919	22.6
162.06636	2.3
163.07486	5.9
167.06993	100.0
169.06424	2.1
172.05066	1.7
173.05902	2.0
175.07498	88.8
176.07887	1.8
177.05505	2.4
177.38924	1.6
179.06941	3.5
185.09180	1.9
187.07501	13.1
190.07622	1.7
191.07031	7.8
193.08563	51.4
199.07445	7.7
202.07903	1.9
203.08556	2.7
218.07481	2.0
221.09550	1.9
223.07478	1.9
231.08116	2.3
233.09515	1.8
249.09210	2.9
261.09030	3.4
266.09607	1.8
281.11661	3.1
289.08438	1.7
291.10013	2.5
292.76022	1.5
293.11722	1.5
294.08456	1.9
309.11185	8.2
321.11084	6.0
326.11224	3.7
335.22049	2.5
341.13864	20.2
353.13895	11.7
355.15256	7.7
356.15836	2.0
387.10437	2.4
388.10693	2.6
389.11166	2.6
451.84680	1.8
478.79025	1.8
569.23694	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	568.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56635	0.4
50.60658	0.3
51.64528	0.3
52.29124	0.3
52.58349	0.3
55.05442	0.7
56.04969	1.8
60.04448	2.6
64.34966	0.3
66.41426	0.3
66.63284	0.3
67.05420	1.8
69.03348	1.5
69.06993	10.7
70.06509	8.6
71.00614	0.3
71.04900	0.5
72.08070	3.1
74.05994	0.7
75.05514	2.0
79.05385	0.4
81.06964	1.6
83.04908	0.8
83.06024	3.1
84.04431	4.8
84.08063	8.2
85.02825	3.6
85.06478	0.5
85.08367	0.3
86.09631	100.0
87.09977	1.3
89.06585	0.3
91.05403	1.5
93.04458	1.8
93.06976	2.8
95.04892	0.4
95.06014	3.8
95.08562	2.5
97.02824	0.7
99.05504	0.5
99.08041	0.5
102.05482	1.7
105.06984	1.5
107.04925	0.5
107.08540	4.8
109.06503	0.8
109.10140	0.6
110.07119	64.6
111.05486	0.5
111.07402	0.6
111.08073	0.4
111.09844	0.3
112.03912	11.7
112.08714	0.4
115.04002	0.3
115.08696	0.5
116.98587	0.4
119.04892	0.5
119.08543	1.8
120.08069	2.1
121.06487	0.5
121.10117	2.6
123.04440	0.4
123.05547	0.3
123.08025	2.0
125.09601	0.5
129.10217	3.9
130.04991	0.8
131.08536	0.6
131.25145	0.4
133.10117	2.2
135.08070	0.8
135.11633	0.5
136.07549	2.0
137.06023	0.5
137.09596	0.6
138.06590	0.8
139.05026	0.7
141.06512	0.6
143.11771	8.1
145.10081	0.5
149.09605	5.0
149.13239	1.4
151.11200	2.0
156.07663	45.5
163.14807	1.7
166.06143	1.5
169.06084	4.4
173.13261	2.0
178.13388	0.6
187.07204	0.8
191.14326	3.3
203.31178	0.4
207.13834	0.5
209.15337	5.8
223.15550	0.7
227.16449	0.6
251.15036	1.8
254.14832	2.4
269.16055	8.1
272.15991	4.3
300.15445	6.8
413.24060	1.6
550.29980	0.7
553.54974	0.4
568.30853	28.2
569.31543	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05459	3.2
57.06733	2.1
57.07011	54.8
57.78706	1.0
61.02054	1.1
61.91493	1.0
69.06976	9.1
71.08542	35.9
71.08907	1.9
72.61888	1.3
73.06468	7.2
73.25220	1.4
83.08543	6.2
85.10103	22.6
87.03912	1.2
87.04399	6.0
89.05953	100.0
89.28422	1.1
97.10118	6.0
99.18124	1.3
99.93216	1.2
107.07005	6.8
111.11668	1.9
133.08565	37.3
177.11163	14.9
185.27013	1.3
209.28529	1.5
221.13539	1.3
239.14824	1.6
269.28247	1.8
283.17603	1.8
313.30902	8.0
327.20096	13.4
357.33667	2.1
487.62997	1.6
551.45074	28.2
568.47699	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	569.22
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00193	0.9
51.47559	0.9
55.05444	1.1
60.90833	1.0
70.06507	8.6
71.04890	1.4
72.08080	2.3
75.27661	0.9
81.06982	1.0
84.04430	1.4
84.08067	7.0
85.02835	2.1
86.09627	4.8
89.62244	1.1
91.05418	1.8
92.98502	1.2
95.08546	1.6
97.02569	1.3
98.97514	1.3
100.85555	1.1
105.06964	1.8
107.08534	1.7
108.20409	1.2
110.07107	1.9
113.24352	1.2
127.03655	2.9
129.10207	1.9
131.69186	1.2
134.99577	1.7
136.07643	1.1
137.05978	5.7
151.03871	1.8
155.03229	1.2
159.72108	1.1
171.14598	1.2
193.08614	2.2
201.05164	2.3
216.07536	22.7
228.08115	1.2
229.06879	2.1
237.02892	1.5
257.67471	1.1
299.07410	1.7
301.08774	1.5
317.08527	11.4
333.07825	2.6
375.12769	12.5
509.16867	4.8
538.19592	1.5
539.20935	1.9
569.21899	100.0
570.22205	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	569.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
69.89243	0.8
100.29836	1.1
105.55402	1.1
107.08537	1.5
113.84194	1.0
119.08511	3.3
128.20355	0.9
129.51733	1.0
135.07945	1.1
142.53683	1.1
145.36636	1.1
196.32394	1.2
285.10818	1.0
319.30905	1.1
419.18600	1.4
496.08493	1.0
569.24994	100.0
570.25519	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45881	0.4
55.05428	0.4
61.02864	0.4
62.28109	0.4
64.33669	0.4
66.90082	0.4
69.03321	2.2
69.06963	0.8
83.08502	0.5
88.33733	0.4
94.42848	0.4
97.06454	0.6
105.06924	0.7
117.06971	0.7
131.08487	0.7
142.07680	0.5
145.06395	1.1
145.10103	6.4
155.08502	3.2
157.53571	0.5
158.07224	11.0
159.07973	0.9
161.05927	0.7
161.09552	3.0
167.08400	0.6
171.08003	2.6
172.08745	2.5
172.95157	0.9
173.09567	10.4
175.07455	0.9
184.34105	0.4
185.09552	2.4
187.07513	3.6
187.11069	1.9
188.08279	0.8
189.09042	2.1
190.96181	0.9
195.07927	0.8
197.09518	1.7
199.07385	0.5
199.11201	3.9
200.08264	8.7
201.09068	100.0
202.09453	2.8
207.08006	0.6
208.08875	0.5
209.09578	4.0
210.10356	0.9
211.07460	1.8
212.08281	0.8
213.09073	1.0
213.12689	3.5
215.10608	3.4
222.10379	4.4
223.11118	0.8
224.11885	2.8
225.09010	4.4
225.12617	0.9
226.09787	3.4
227.10576	5.4
227.14224	1.0
228.07845	0.7
234.10452	0.5
236.08076	0.5
237.08997	2.4
237.12668	11.4
238.09789	1.1
238.13361	0.5
239.10513	2.4
239.14240	3.3
240.11377	0.9
241.12154	12.0
249.12721	2.2
250.09761	0.5
251.10611	9.3
252.11369	9.8
253.12099	0.6
255.13669	1.1
265.12189	19.3
266.12915	9.7
267.13681	16.8
268.14194	1.0
269.11694	0.5
283.13281	7.3
284.14038	8.4
285.14786	10.3
286.15356	0.6
467.21704	0.7
471.18268	0.8
485.17712	0.6
485.23083	24.4
486.23697	1.9
551.27747	3.2
569.28821	27.9
570.29559	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	570.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03870	0.5
55.01806	3.8
55.05446	1.0
56.04969	1.1
60.04442	2.8
61.02850	1.1
63.45823	0.4
65.01888	0.5
65.03857	0.7
67.05414	1.0
69.03335	2.8
69.06989	0.9
70.06510	11.2
71.04900	1.2
72.08072	4.8
74.05984	0.9
74.11761	0.4
79.05399	4.1
81.03325	1.2
81.06953	1.1
84.04414	5.8
84.08068	6.2
85.02825	6.8
86.09616	5.7
89.03852	0.7
91.04831	1.0
91.05406	31.6
92.10811	0.6
93.06964	3.6
94.04110	1.1
95.04893	8.0
95.08526	0.9
97.02827	2.7
99.07958	0.6
102.04607	4.2
102.05472	1.0
103.05396	14.9
105.03318	2.0
105.06978	14.2
107.04887	3.4
107.08543	0.9
109.06487	3.9
109.10077	0.7
110.07131	3.9
112.08671	0.8
115.05370	4.1
117.03294	1.0
117.06989	1.2
119.04893	31.3
119.05750	1.1
119.08515	0.8
120.08070	1.8
121.06470	8.1
121.10128	0.7
122.03616	6.0
123.04407	4.5
123.08011	0.7
124.05161	3.0
125.05984	0.7
127.03867	1.1
129.10144	4.3
130.04124	9.7
130.05013	0.8
131.04895	10.5
133.02826	2.9
133.06456	14.9
133.10068	0.6
133.91930	0.5
135.04364	5.8
135.11632	0.7
136.07510	0.8
137.05951	100.0
138.06316	2.8
143.04922	0.9
143.06003	0.7
145.02840	5.6
145.05002	0.6
145.06479	7.1
147.04385	38.0
147.08011	0.5
149.05949	9.4
150.06747	13.6
151.07513	6.1
153.05443	3.3
158.03577	2.2
159.04393	2.1
160.05208	2.0
161.05949	20.7
162.06718	37.4
163.07458	3.5
165.05403	2.2
171.04366	0.6
173.05960	13.3
175.03860	2.4
175.07533	2.1
177.05457	7.6
177.06894	0.9
178.05975	0.5
179.07027	6.7
179.08463	0.9
180.07629	0.6
186.03075	3.3
187.03899	0.9
189.05354	0.7
189.06900	0.7
191.06946	3.2
191.08549	0.9
193.04915	7.1
194.05302	0.7
195.06479	0.6
199.03845	0.8
201.05423	33.2
203.07019	3.5
204.04105	7.8
205.06401	3.9
206.07217	0.8
207.06477	5.8
207.08116	0.5
213.05406	0.7
218.07307	0.6
219.06433	23.3
220.06744	0.7
221.45410	0.5
222.06773	1.9
231.06496	5.4
233.05846	3.4
234.06720	2.5
235.07498	2.7
237.09120	3.6
238.09595	0.6
245.05925	0.8
247.07515	0.7
249.07585	2.6
250.06204	2.6
251.06966	2.1
252.03104	0.5
261.05386	0.5
262.06250	2.2
263.06976	0.9
264.07733	0.9
265.08566	6.4
266.09448	0.8
277.08652	3.6
278.05734	1.2
279.06439	0.8
283.09647	2.3
290.05640	1.0
292.07214	3.0
293.07980	6.0
294.08759	0.9
295.06070	1.0
295.09509	1.2
297.10934	1.5
305.08026	2.9
305.29626	0.6
307.09662	6.6
309.11227	0.9
310.08261	0.8
311.09174	0.6
322.08423	0.6
323.09097	16.7
324.09467	1.9
325.10632	14.5
326.10989	0.6
329.53836	0.6
337.10565	4.9
343.11697	14.1
355.07538	0.9
355.11676	16.2
372.27744	0.7
373.12787	1.7
532.26831	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	0.4
55.01802	1.6
55.05437	1.9
56.04957	1.7
57.03369	0.5
60.04434	0.8
61.02845	0.5
65.98618	0.3
67.05408	0.9
69.03333	3.2
69.06979	1.6
70.06139	0.6
70.06506	13.0
71.04903	1.6
71.06826	0.6
72.08070	8.1
74.05978	0.9
78.04615	0.8
79.05406	3.4
81.03310	0.8
81.06955	2.1
83.04910	0.4
83.06024	0.6
84.04421	3.7
84.07599	0.5
84.08064	10.0
85.02816	5.6
85.08400	0.5
86.09130	0.6
86.09621	9.4
87.04401	0.6
87.05507	0.6
88.03906	0.7
91.05408	11.9
92.05726	0.4
93.06953	2.3
95.04883	2.1
95.08524	2.3
97.02801	2.1
99.04381	0.4
101.07055	0.7
102.05492	0.6
103.05402	4.1
104.06145	1.6
105.06971	23.2
107.04919	3.5
107.08533	2.0
109.02814	0.6
109.06439	1.9
109.10086	2.3
110.07129	4.7
112.08672	0.5
115.05398	8.1
116.07005	0.5
116.98528	0.4
117.06969	5.2
118.04115	0.7
118.05009	0.4
119.04868	0.7
119.08533	13.3
120.08037	3.2
121.06432	0.9
123.04413	4.2
123.08030	0.8
123.11629	1.7
124.05174	0.9
127.03963	0.4
128.06169	3.1
129.06961	5.8
129.10184	7.2
129.56795	0.4
130.04964	0.5
130.06477	1.5
131.04874	3.3
131.08557	0.4
132.05663	9.8
132.08046	0.6
133.06451	20.0
133.10089	0.7
134.06763	0.6
135.07983	0.4
135.11633	0.8
136.07542	0.9
137.05013	0.4
137.05968	3.9
137.09555	0.8
141.06984	3.0
143.04927	0.5
143.06015	0.7
145.04916	0.5
145.06419	2.1
147.08031	15.5
149.06007	0.5
152.04660	0.8
155.05957	0.5
155.08263	0.4
157.06383	0.7
159.07977	1.0
159.09142	0.6
160.05139	7.8
161.05936	16.5
162.06464	0.4
163.07501	2.5
167.06999	47.2
169.06471	3.9
173.09569	0.7
173.12808	0.9
174.06729	0.6
175.07501	100.0
175.14723	0.6
176.07841	3.0
178.06165	1.9
181.08549	0.6
186.06705	1.5
187.07417	2.8
189.09071	0.8
191.07021	0.5
193.08556	62.1
193.15828	0.7
194.08920	2.3
201.05414	1.9
201.09097	3.5
201.12225	0.5
211.16835	0.8
215.09369	0.6
235.07697	0.5
248.08301	0.5
254.22462	0.5
261.05423	0.7
265.08469	0.5
273.05344	0.5
291.10062	0.5
293.08023	0.5
355.15347	17.6
356.15674	0.9
371.62894	0.4
373.16373	1.8
375.14218	0.6
377.06393	0.7
410.20651	0.5
570.14783	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64439	1.0
53.03889	0.9
53.69070	0.9
54.81914	0.9
55.01801	3.9
55.05434	2.2
56.04959	5.2
57.03366	1.4
60.04441	1.9
61.01091	1.0
61.02845	1.1
67.05405	1.7
67.90825	0.9
69.03352	8.0
69.06975	2.3
70.06138	2.1
70.06503	43.2
71.04890	1.4
72.08064	11.4
73.02820	1.0
76.56767	0.9
77.50080	0.9
78.04628	1.3
79.05416	7.4
81.03320	1.8
81.06953	3.8
83.05997	1.5
84.04422	10.4
84.07597	1.2
84.08068	22.1
85.02826	18.4
86.09137	1.4
86.09619	23.8
87.04360	1.2
87.05531	1.5
88.03886	1.7
91.05392	16.7
93.06947	6.9
95.04882	5.8
95.08500	1.9
97.02813	6.5
102.05442	1.9
103.05388	11.8
104.05235	0.9
105.06962	15.6
107.04896	21.8
107.08529	1.7
109.06432	1.6
109.10084	1.2
110.07115	13.5
110.44277	1.0
111.04398	1.5
112.08663	1.4
115.05412	6.2
115.08646	1.2
116.07028	1.3
117.06963	4.7
118.16828	0.9
119.04861	2.2
119.08537	8.2
120.08058	8.6
121.06451	11.5
123.04373	6.4
124.05157	4.1
124.57362	1.0
125.05901	1.9
126.05489	1.6
127.03893	1.7
128.06151	5.1
129.06970	20.8
129.10191	11.2
130.06435	1.4
130.08646	1.3
131.04929	9.7
131.08524	12.4
132.05627	5.9
132.06566	1.2
133.06462	11.9
135.04356	1.2
135.08009	5.1
136.07532	4.9
137.05930	16.7
138.06531	1.0
141.06960	5.9
143.04776	1.4
145.06453	5.3
145.89667	1.1
146.07259	1.2
147.04427	1.4
147.08022	11.3
148.05147	1.1
149.05966	5.1
151.03857	4.5
151.07498	14.1
152.04619	1.9
153.05418	6.0
157.06448	14.9
158.07158	1.6
159.08049	7.5
160.05147	4.9
161.05936	28.9
161.09563	6.2
163.07481	14.4
165.07019	1.3
165.09041	5.9
166.06195	5.8
167.06998	70.8
167.08292	3.4
168.07352	1.9
169.06332	2.3
174.06712	15.7
175.07494	52.4
176.07979	2.4
177.05461	3.7
177.09023	5.9
179.05321	1.1
179.06956	1.7
179.08505	1.2
181.04897	1.6
181.08542	41.7
182.07323	2.9
182.08870	1.1
183.11385	1.2
186.06734	1.1
187.07510	2.3
189.09044	46.9
191.06949	3.8
193.08559	23.1
194.07169	1.4
195.07971	7.0
197.05869	1.5
197.09584	6.5
201.09004	8.8
204.07634	1.1
204.69423	1.0
207.08057	1.9
207.10112	7.0
209.09462	1.8
210.06657	1.8
211.07378	1.5
213.09077	1.3
219.08151	2.1
219.10098	27.6
221.05957	2.4
223.07481	5.7
223.11136	1.8
225.09041	9.7
227.06989	2.5
236.08334	1.2
239.07104	1.4
239.49078	1.1
240.07721	2.2
241.08543	1.3
247.07597	1.4
248.08292	1.2
251.06798	1.5
251.10661	4.2
253.08488	5.6
255.10078	2.3
257.11633	11.2
270.08865	1.6
271.13019	1.5
280.10550	1.3
281.08301	1.1
283.09555	7.5
283.13217	5.7
285.11148	14.2
286.11734	1.2
302.11484	1.8
305.13910	1.1
311.12701	1.9
315.12183	8.3
317.13791	11.7
343.15353	17.9
355.15298	12.6
361.16345	100.0
362.16840	7.4
373.16302	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	570.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	0.5
56.04969	0.5
57.03362	0.4
60.04456	0.2
61.02856	0.3
69.03335	1.3
69.06987	0.4
70.06513	6.7
72.08075	2.6
74.05965	0.3
78.04646	0.8
79.05402	1.4
81.03338	0.6
81.06973	0.5
83.05989	0.3
83.23408	0.2
84.04436	2.1
84.08059	3.1
84.26261	0.2
85.02841	3.0
85.08413	0.2
86.09630	4.7
91.05392	1.3
92.10168	0.3
93.06985	1.1
95.04875	1.2
97.02816	1.1
101.02284	0.2
102.05483	1.2
103.05399	2.6
105.06981	2.0
106.04108	0.3
107.04909	2.5
107.08558	0.3
109.02843	0.4
109.06495	0.3
110.07104	2.1
112.11265	0.3
115.05478	0.3
116.07044	0.3
117.06927	0.3
118.06465	0.6
119.04941	0.6
120.08051	1.9
121.06479	1.3
123.04385	4.1
124.05148	1.1
127.03844	0.5
129.06934	0.4
129.10187	1.7
131.04897	5.3
133.06470	1.9
134.99570	0.3
135.08018	0.3
135.11655	0.3
135.40495	0.2
136.07536	1.3
137.05939	1.7
146.05966	0.5
147.04440	0.4
149.05974	1.5
151.03882	1.6
152.04628	1.2
161.05943	2.2
163.07497	3.5
167.07007	100.0
168.07336	2.4
175.07524	0.5
179.06958	0.6
181.08507	1.8
187.07487	0.2
188.14404	0.8
189.09109	0.3
189.14723	0.2
193.08562	4.3
203.07008	0.3
209.07977	0.3
211.09622	6.4
250.19670	0.3
361.16342	0.5
373.16379	0.3
506.30426	0.3
536.12421	0.3
571.23749	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86408	0.7
59.49941	0.9
59.53693	0.8
63.90797	0.8
65.33772	0.8
67.05415	1.2
69.06977	5.3
70.06500	1.0
73.78811	0.9
78.97399	0.9
79.29803	0.8
81.06979	1.6
83.08593	0.8
85.04090	1.2
86.07042	1.0
92.11005	1.0
95.08586	1.1
97.06453	1.5
98.98380	1.1
107.19954	0.9
113.54716	1.1
121.06468	1.6
123.07945	1.5
130.09837	1.1
145.10130	5.3
147.07982	1.3
148.21707	1.2
155.08534	1.6
156.95078	1.0
158.07175	6.9
159.08028	2.3
161.05904	1.0
161.09541	8.2
171.07932	1.7
173.09567	12.1
179.08667	0.9
185.09569	17.2
187.07512	1.5
189.09135	1.6
194.29742	1.0
197.09593	1.2
201.09081	100.0
202.09479	2.3
209.09598	2.2
210.10370	2.3
212.08357	1.5
213.09035	1.2
213.12698	1.7
224.11894	1.6
225.09079	2.4
225.12721	2.0
227.10582	4.9
236.11839	1.2
237.09105	5.0
238.09805	2.2
239.10643	3.8
239.14272	2.1
249.12636	1.4
251.10588	5.3
251.14311	1.4
252.11348	23.6
265.12222	3.7
267.13736	50.2
269.15247	2.4
283.13074	2.1
285.14816	15.4
287.16373	3.9
311.25732	4.5
314.11032	1.0
469.23666	14.4
571.30426	22.7
572.30621	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00247	4.3
53.03874	4.4
55.01797	14.4
55.05222	3.7
55.05449	65.6
57.03362	3.0
57.07016	19.2
67.05072	4.5
67.05420	90.1
69.03335	2.8
69.06984	36.6
79.05402	78.4
81.03324	18.0
81.06508	4.6
81.06968	100.0
83.04887	17.2
83.08530	38.7
85.10085	19.7
89.05943	39.8
91.05396	89.2
93.06962	94.4
94.09103	2.5
95.04902	52.5
95.08529	70.0
96.61150	3.1
97.06461	13.7
97.10087	5.7
104.58785	2.6
105.06282	3.6
105.06966	87.4
107.04890	23.4
107.08509	51.8
109.06495	5.5
109.10089	31.3
111.07994	4.3
113.09590	15.3
117.06967	38.4
119.08522	60.8
121.06435	6.5
121.10102	31.6
123.07993	6.6
123.11662	10.8
125.09619	4.1
129.06944	16.5
131.08525	40.8
133.08533	10.6
133.10071	48.2
135.08009	3.8
135.11688	19.9
137.09604	5.6
143.08485	4.9
145.10114	27.7
147.08029	3.8
147.11610	27.8
149.09615	36.0
149.13283	5.4
151.11082	4.4
155.08505	3.7
157.10155	9.9
159.11665	12.8
161.09537	3.9
161.13234	11.5
163.11099	35.9
163.14815	3.9
165.12692	30.8
169.10081	6.4
171.11613	6.4
173.09625	11.6
173.13232	5.7
175.11255	10.3
175.14729	11.2
177.12817	3.0
183.11609	3.2
185.13191	4.6
197.13177	5.6
203.14220	3.1
215.14384	2.8
223.13220	12.0
228.38097	3.4
239.17868	5.1
243.20840	2.9
257.18900	12.5
275.19946	75.7
277.21497	36.5
279.23239	3.9
293.21008	22.1
295.22598	15.9
371.22522	14.6
372.22916	4.0
421.37534	3.4
553.42163	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	572.197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10865	0.2
54.79779	0.2
55.05445	0.4
55.30095	0.2
56.04977	0.4
57.03328	0.2
60.04434	0.3
61.16413	0.2
61.31733	0.2
69.03340	0.6
69.06984	4.4
70.02834	0.3
70.06141	0.4
70.06501	9.3
71.04900	0.4
71.06828	0.5
72.08063	2.9
74.02335	0.4
74.05975	0.3
75.39331	0.2
81.06931	0.5
82.06496	0.3
83.05998	0.4
84.04428	2.3
84.08061	5.7
85.02815	2.3
86.09142	0.4
86.09624	7.1
86.10118	0.5
87.09959	0.3
91.05366	0.4
92.10869	0.4
93.04372	0.3
93.06964	0.5
94.04128	0.3
95.04889	0.6
95.08520	1.2
97.02805	0.6
102.05434	0.4
104.03387	4.3
105.03299	0.3
105.06948	0.4
107.08520	0.4
109.10098	0.4
110.07104	2.4
112.03873	0.6
112.07528	0.4
116.03381	1.6
116.06995	0.4
116.98517	0.4
119.08469	0.6
120.08039	1.0
122.03561	1.1
123.04389	0.5
127.03831	0.5
129.06537	0.4
129.10231	2.2
130.04951	0.3
130.08565	0.5
131.04938	0.3
133.02806	15.6
136.07529	0.3
137.05945	5.0
138.06467	0.3
144.08051	2.3
145.04924	0.4
145.08401	0.6
149.05969	2.0
150.03043	0.5
154.08549	1.0
165.05450	2.0
169.13322	1.0
172.09642	11.1
173.99242	0.3
178.02557	7.3
193.04915	100.0
194.05261	1.9
197.12857	0.3
200.09074	1.4
217.09599	0.4
218.10158	3.2
454.11066	0.3
572.30084	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01803	1.9
55.05441	1.2
56.04965	0.6
57.03362	0.8
60.04456	0.8
61.02848	2.6
61.04270	0.4
69.03345	4.5
69.06949	1.0
70.06138	0.8
70.06506	18.6
71.04896	0.5
71.06869	0.4
72.08056	5.7
74.05994	1.0
79.05392	1.2
81.03312	1.8
81.06957	0.8
83.05998	0.5
84.04412	5.5
84.08059	9.9
85.02819	12.8
86.09618	9.1
87.05481	0.5
88.03886	0.8
91.05399	6.2
93.06941	2.4
95.04930	1.6
97.02817	5.0
99.04388	0.7
102.05447	2.0
103.05384	4.8
105.03303	0.7
105.06956	5.5
107.04882	2.9
109.02785	0.7
109.06437	1.2
110.07089	2.3
111.04381	0.7
112.08665	0.5
115.03880	0.5
115.05365	3.3
117.06931	0.8
119.04897	7.7
120.08018	3.3
121.06457	5.8
121.10096	0.7
122.03574	4.5
125.05922	1.3
125.07049	0.5
127.03903	1.0
129.10172	5.4
130.04065	0.6
131.04869	9.7
133.02792	2.2
133.06471	4.7
135.04332	2.1
135.07968	1.2
136.07520	1.1
137.05942	100.0
138.06259	2.1
143.04919	4.0
145.04875	0.9
145.06499	0.6
146.03629	0.8
147.04387	8.1
149.05948	17.7
150.06708	1.3
151.03917	1.1
151.07481	2.6
153.05405	2.2
159.04355	1.3
160.05171	0.7
161.05934	66.5
162.06688	5.1
163.07495	4.7
165.05473	1.3
165.06902	1.0
167.06886	0.9
167.08452	1.0
169.09999	0.6
171.11269	0.8
173.12796	0.8
174.06651	0.8
175.07495	13.0
177.05458	1.1
177.06889	0.8
177.16377	0.6
177.52095	0.5
179.06969	4.3
179.08508	3.3
188.04599	2.1
191.07045	4.3
193.06459	3.9
195.06383	2.5
195.08005	2.1
201.12231	0.6
203.06973	37.8
205.06461	2.2
205.08562	2.1
206.07187	0.7
207.07964	5.5
210.06602	1.2
215.06987	0.7
219.08090	1.0
221.05867	6.9
221.08018	11.3
222.06613	2.5
223.07542	1.9
224.08186	2.5
225.09016	7.6
227.06815	0.6
227.10432	0.9
233.05922	0.9
233.08025	5.4
234.06683	1.2
235.07478	4.4
235.09531	0.7
236.08144	0.6
237.09074	3.5
238.06097	0.8
239.10504	4.9
240.07703	0.6
247.07341	0.9
248.07823	0.5
249.09047	3.6
251.06931	3.3
252.07716	2.0
253.08524	12.4
254.08981	0.8
255.06483	1.1
255.10071	0.7
263.06830	0.9
265.08456	7.4
267.10083	11.6
269.08008	0.9
270.08820	1.2
277.08572	4.9
279.06589	1.1
279.09979	2.0
280.07169	0.7
281.11401	0.6
282.08713	0.9
283.09470	0.9
284.10294	1.0
285.11133	27.9
286.11710	0.8
292.07150	0.8
294.08591	6.5
295.09503	6.0
297.11066	8.1
298.11536	0.7
299.12689	2.4
307.09915	0.7
309.11084	15.6
311.12555	0.7
315.12189	9.4
325.10611	6.8
327.12173	44.2
328.12378	1.1
339.12054	2.6
345.13242	34.7
346.13599	0.8
357.13272	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	572.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14203	0.2
53.03878	0.2
55.01802	0.5
55.05436	1.8
56.04960	1.4
56.06035	0.3
56.49950	0.2
60.01960	0.3
60.04445	0.4
61.02841	0.3
65.24912	0.2
67.05436	0.6
69.03344	0.7
69.06983	0.6
70.06136	0.6
70.06507	13.5
71.04899	0.6
71.06818	0.4
72.08065	4.1
74.05987	0.5
75.13013	0.2
75.15380	0.3
75.15794	0.3
79.05399	1.7
81.03329	0.5
81.06976	0.6
84.04427	4.3
84.08068	7.4
85.02823	3.0
86.09631	7.4
87.39372	0.3
88.03902	0.5
91.05395	3.2
93.06968	0.8
95.04883	0.4
95.08540	0.6
97.02834	0.3
102.05464	1.4
102.77593	0.3
103.05396	1.7
105.06975	9.3
107.04894	1.5
107.08531	1.5
109.06444	0.6
110.07129	2.9
110.07779	0.4
115.05411	2.2
117.07011	2.2
119.04896	1.7
119.08469	0.4
120.08063	4.5
121.06467	1.2
123.04390	0.7
123.08001	2.0
124.05146	0.3
125.05908	0.3
128.06160	0.3
128.75096	0.3
129.10185	4.1
130.04942	0.4
131.04895	1.8
132.05621	0.4
133.06459	11.5
135.08014	1.5
136.07515	1.1
137.05943	7.3
137.09586	0.5
138.06306	0.4
140.25786	0.3
143.06004	0.5
143.08521	1.2
145.06381	0.4
147.04390	0.5
147.08063	0.6
147.36180	0.3
149.05995	0.5
149.09561	0.4
151.03928	0.6
151.07510	9.6
159.11426	0.5
160.05139	0.7
161.05940	9.1
162.06664	1.7
163.07462	0.7
167.06999	15.7
168.07265	0.3
171.07974	0.6
175.07474	2.8
177.09068	100.0
178.06140	0.4
178.09430	2.2
180.51167	0.4
181.08467	0.4
193.08563	42.4
194.08934	1.5
195.10091	4.4
201.12375	0.4
203.10620	1.6
213.18526	0.3
219.10098	0.3
221.11682	14.7
228.24709	0.3
229.15619	0.4
277.08170	0.3
329.13770	0.4
357.16727	0.6
375.17905	4.0
393.18896	0.5
572.22839	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08698	0.1
53.03884	0.2
55.01787	0.1
55.05439	0.7
56.04963	0.6
56.96486	0.2
57.03353	0.2
60.04442	0.3
60.95638	0.1
61.01059	0.1
61.02828	0.2
69.03329	0.7
69.06980	0.2
70.06146	0.2
70.06507	6.3
71.06805	0.1
72.08064	3.6
73.08390	0.1
74.05971	0.3
78.04607	0.8
79.05386	0.9
81.03328	0.6
81.06958	0.7
83.06022	0.2
84.04425	2.2
84.08063	4.9
85.02826	2.5
86.09620	4.0
87.09961	0.2
88.03916	0.2
91.05392	0.8
93.06963	0.3
95.04869	0.6
95.08517	0.6
97.02805	0.8
98.06020	0.2
99.04395	0.2
102.05474	0.7
103.05370	0.3
104.05229	0.2
105.06973	1.0
106.04153	0.2
107.04876	1.2
107.08516	0.2
110.07117	1.9
112.08647	0.2
115.05411	0.2
115.08640	0.1
119.04839	0.2
120.08035	1.5
121.06428	0.7
121.78069	0.2
123.04385	3.2
124.05182	1.5
127.03870	0.2
129.10204	2.1
130.04977	0.6
130.06485	0.3
131.04848	0.2
133.06459	1.2
135.08063	0.1
136.07579	0.2
137.05940	3.9
138.06268	0.5
143.11688	0.2
147.07652	0.2
149.05925	0.6
151.03851	0.8
152.04636	1.2
159.07797	0.2
159.09123	0.2
161.05963	1.0
163.07462	0.2
167.06990	100.0
168.07315	3.6
172.88992	0.1
174.40552	0.1
174.71616	0.1
175.07457	0.2
177.09029	0.6
178.09447	0.2
179.06967	0.2
181.08498	0.8
187.07097	0.2
193.08533	2.8
193.10101	0.2
211.07591	0.3
211.09605	9.8
212.10030	0.3
246.59058	0.2
570.28851	0.2
572.14661	0.2
572.27942	0.7
573.19556	0.2
573.28540	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15899	1.9
55.05445	2.9
57.03378	8.7
58.54946	2.0
69.03345	38.1
70.06498	15.6
70.71153	2.1
71.06818	2.3
72.08065	4.0
83.08538	2.4
84.08049	12.6
85.02825	35.0
85.23292	2.5
86.09624	11.8
87.04408	21.8
92.10122	2.4
97.02824	30.5
105.06991	3.2
108.02110	2.4
109.10091	14.6
115.03881	20.6
119.08472	2.8
120.08021	3.0
121.06451	67.3
123.11654	3.5
127.03845	3.3
128.37866	2.3
130.06567	2.5
133.04944	20.6
133.10056	3.3
135.04442	2.9
135.08035	3.2
137.05942	4.6
145.04875	3.5
146.07300	2.8
147.08015	16.1
150.07547	3.5
161.09575	100.0
172.32260	2.3
173.09512	19.9
187.11151	9.0
243.17383	38.5
251.04337	2.3
259.16922	2.8
261.18399	18.0
467.89114	2.7
573.10004	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	573.1022
Annotation	dimeric 9-hydroxyrubrofusarin-fuscofusarin
Peak:m/z	Relative Intensity
59.21571	3.2
59.40068	4.0
60.49092	3.2
68.99710	8.2
70.06507	14.4
80.59148	3.6
84.04435	5.6
84.08084	18.2
86.09602	6.1
91.05417	4.8
93.20582	4.1
105.06931	3.7
107.04916	6.1
135.04431	4.6
135.08032	3.9
159.74434	3.7
162.40523	3.7
163.03871	6.1
191.03427	5.3
218.07072	4.0
253.04909	6.0
274.32590	4.3
281.04449	7.6
293.04483	19.6
308.06693	15.2
309.04047	4.7
309.07562	4.4
319.05826	7.9
321.03867	17.8
335.05481	5.3
336.06061	15.3
349.03317	23.5
364.05807	7.1
365.06360	24.2
367.04510	4.4
369.05847	27.0
381.05664	8.4
382.06619	33.2
406.52472	5.6
521.43976	5.6
573.09955	100.0
574.10278	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	573.3029
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
50.81259	0.8
53.00254	0.9
55.05459	6.1
57.03374	11.7
57.06735	1.7
57.07011	48.4
66.16735	0.8
67.05421	10.6
69.03371	0.9
69.06985	7.7
71.08546	28.7
74.38192	0.8
79.05405	1.0
81.03345	7.2
81.06967	12.8
83.08547	8.4
85.02840	0.9
85.10103	16.2
89.44041	0.9
95.08529	18.9
97.10096	5.1
98.98397	47.3
109.02826	5.5
109.10095	6.6
116.31171	0.9
116.99471	1.8
118.33083	1.0
123.11674	3.4
127.03890	1.3
155.01010	25.1
162.91055	1.1
173.02191	1.3
190.96204	1.1
200.38315	0.8
239.23630	3.9
257.24533	1.0
272.87674	1.3
291.71222	0.9
313.27292	100.0
314.24207	0.9
314.27597	4.9
317.06296	1.9
335.07315	1.0
337.20987	0.9
368.82690	1.0
383.99643	0.9
393.23907	8.2
401.28635	1.1
482.74738	1.0
537.28088	3.8
591.91565	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3033
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
51.66855	1.0
53.00246	2.1
54.49749	1.0
55.05447	8.3
57.03372	11.7
57.06738	1.9
57.07009	54.6
67.05423	12.8
69.06983	11.1
71.08544	34.2
78.60921	1.1
79.05408	1.0
81.03336	7.5
81.06963	14.5
83.08536	10.7
83.26566	1.0
85.10104	18.2
89.05938	1.1
95.08533	21.4
97.10088	4.6
98.98393	62.1
109.02814	8.1
109.10155	8.2
116.74987	1.2
116.99458	4.3
121.10100	1.4
123.11661	2.7
123.77630	1.2
155.01012	20.5
163.06012	1.6
173.02043	1.6
218.26672	1.0
239.23648	2.1
313.27280	100.0
314.27686	4.6
317.06216	1.7
393.23685	4.2
401.28812	1.4
537.28314	1.8
584.43951	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39069	8.4
55.05437	39.5
57.07012	36.7
67.05432	76.4
69.06985	18.2
76.35273	8.5
79.05393	62.5
81.06971	61.6
83.08538	10.8
85.10101	50.3
89.05943	14.7
91.05401	39.2
93.06966	86.7
95.04877	19.3
95.08530	56.5
105.06944	23.6
107.04917	17.0
107.08540	22.8
108.90247	10.2
109.10079	18.5
113.09583	44.0
119.08532	16.8
121.10101	42.2
133.10101	13.2
135.11708	13.7
147.11699	13.8
165.12715	54.1
240.45451	12.1
256.26251	10.6
277.21646	72.7
288.61374	11.2
295.22598	100.0
385.84705	11.9
405.85391	11.4
573.37152	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	574.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	0.6
54.37320	0.3
54.81664	0.3
55.01801	1.4
55.05443	1.8
56.04960	1.5
56.96468	0.4
57.03355	0.5
60.04443	0.7
61.02843	0.4
63.01969	0.3
65.03859	3.1
67.05405	1.4
69.03351	2.6
69.06988	0.5
69.21244	0.3
70.06506	10.5
71.04919	0.3
72.08055	5.6
73.02818	0.6
73.10033	0.3
74.05975	0.5
78.07935	0.3
79.05418	3.2
79.05788	0.4
79.29570	0.4
81.03320	1.8
81.06961	0.8
83.06026	0.5
84.04417	5.2
84.08061	7.5
85.02831	4.3
86.09618	6.9
87.04382	0.4
88.03902	0.9
88.93571	0.4
91.05399	15.4
93.03298	0.5
93.06968	3.0
94.04089	1.8
95.04885	4.3
95.08527	0.6
97.02792	2.6
101.07053	0.5
102.04617	2.6
102.05479	1.9
103.05392	12.9
105.03342	0.5
105.06966	17.0
105.07652	0.8
107.04894	2.8
108.02035	0.7
109.02840	0.7
109.06490	2.9
109.61443	0.3
110.03592	1.5
110.07094	4.4
111.04369	6.6
111.08014	0.6
115.05419	4.1
116.98577	0.4
117.06933	2.7
119.04888	19.4
119.08495	0.7
120.08038	1.5
121.06457	4.7
122.03593	4.9
123.04368	1.9
123.08006	3.1
124.05149	0.8
125.05958	2.0
127.03796	0.5
128.06168	1.3
129.06956	11.7
129.10173	4.3
130.04100	6.2
130.04974	1.4
131.04884	23.5
133.02789	1.4
133.06456	15.3
134.99564	0.4
135.04366	1.6
135.08058	1.3
136.05165	0.6
136.07524	1.5
137.02341	1.7
137.05943	100.0
138.06303	3.9
139.06523	0.5
140.04700	0.9
141.05417	3.4
142.06406	0.5
143.04938	0.5
143.06018	1.3
145.04897	0.5
145.05235	0.5
145.06447	6.3
147.04376	28.2
147.07996	5.0
148.05035	0.4
149.05943	8.2
150.06752	6.0
151.03862	4.8
151.07513	12.3
152.08078	0.5
153.05435	2.1
154.02521	1.3
155.07045	0.4
157.06448	7.0
159.07959	0.4
160.05128	2.2
161.05930	32.9
161.09558	0.5
162.06715	34.0
163.07495	37.0
164.07964	0.5
165.05443	1.4
167.06987	0.8
169.04945	2.8
170.05922	4.1
171.06302	0.8
173.05940	1.5
174.06699	1.3
175.07486	43.7
176.07951	1.3
177.05438	1.5
177.09039	4.1
179.06970	21.1
180.07393	0.8
181.04817	1.3
181.08548	1.8
182.05800	0.5
185.05969	4.0
187.07430	0.5
189.09056	8.6
191.06966	6.8
197.04391	12.3
202.08633	2.2
203.07024	0.4
203.08803	0.7
205.08507	6.9
207.10109	2.4
209.08028	3.3
217.08522	2.6
219.01770	0.4
219.07906	0.8
231.07928	0.4
235.09581	29.4
236.10060	0.4
237.13536	0.4
251.10626	0.7
263.10236	0.6
265.08554	0.7
267.10358	0.6
279.10110	1.7
280.10675	0.5
281.07983	0.4
291.10010	0.6
299.12674	0.7
311.12692	6.2
323.12531	2.1
327.08542	8.3
329.13791	5.6
331.11795	0.4
341.13770	3.9
345.13428	0.5
346.13412	0.5
347.10910	0.5
347.14572	0.5
359.11157	2.5
359.15146	0.4
412.67917	0.5
431.19272	0.4
527.64227	0.4
545.23169	0.4
571.73572	0.4
573.25287	0.5
574.25360	0.8
575.17041	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	574.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32551	1.1
53.00247	1.8
55.01811	16.3
55.05445	16.4
57.03378	18.9
57.07012	55.3
58.39171	1.2
59.04959	1.3
60.78933	1.2
67.05431	45.9
69.06988	19.8
70.57908	1.4
71.04910	6.0
71.08548	29.1
71.81940	1.5
79.05405	16.0
81.03317	1.3
81.06973	29.5
83.04902	51.4
83.05399	1.7
83.08544	18.4
83.50766	1.2
84.64211	1.4
85.02843	3.1
85.06488	2.2
85.10096	15.1
91.05404	11.3
91.45427	1.5
93.06966	35.6
95.04919	3.2
95.08519	28.9
97.06472	12.6
97.10107	2.9
99.04392	6.7
99.08007	2.8
101.02309	2.0
105.06985	3.1
105.65952	1.4
107.04900	3.1
107.08527	18.1
109.10115	19.9
111.04389	100.0
111.07303	2.8
111.08025	35.0
117.06948	3.6
118.68023	1.8
119.08549	10.2
121.06404	2.7
121.10102	20.0
123.11700	1.8
125.05927	3.2
129.05464	2.6
129.06937	2.7
131.08554	9.9
135.11684	30.4
145.10091	27.3
147.11656	3.0
149.08353	1.3
149.09613	7.9
153.12712	46.8
163.11127	56.3
173.09599	13.2
181.12193	63.5
191.10660	33.8
209.11758	7.8
219.60916	1.5
227.12737	46.5
236.62784	1.5
283.15338	67.4
284.15686	1.5
295.89468	1.8
301.16385	40.8
313.27319	67.1
335.26794	1.6
451.15869	1.5
521.38293	2.9
539.39362	60.3
540.39673	6.8
575.39917	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	575.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08351	0.8
56.96503	27.1
56.96790	1.1
60.04455	0.9
62.54359	0.7
64.46646	0.6
67.24767	0.7
70.06514	8.2
72.08072	4.4
72.48677	0.6
72.95959	1.4
75.85447	0.8
82.39703	0.7
82.40199	0.7
84.04445	1.0
84.08073	6.5
84.95958	1.1
86.09615	6.8
90.39316	0.8
91.05395	1.0
92.98645	1.2
98.97530	8.6
100.88821	0.8
103.05369	1.3
105.06961	1.6
110.07151	3.3
110.97552	1.9
112.99081	4.1
116.98570	9.2
120.08076	4.8
124.99115	0.8
128.98550	6.1
129.10223	3.8
131.00131	13.2
134.99626	7.9
136.07602	1.1
137.05975	3.4
143.00145	3.8
144.08095	1.3
144.75066	0.8
145.01744	1.1
146.99658	8.9
149.01218	13.9
155.03781	0.9
161.01193	10.6
165.00735	1.0
167.02281	1.6
173.01225	1.7
177.00684	3.6
179.02319	3.0
185.01190	6.9
187.02773	1.9
189.00731	3.3
191.02257	1.9
203.02237	19.4
221.03207	5.7
245.03300	4.8
249.11638	3.4
263.04361	1.5
267.12616	63.9
268.12955	1.3
285.13666	100.0
286.14063	1.3
290.14325	1.7
303.14951	5.9
308.15314	1.7
309.13586	8.3
323.15472	1.4
327.14767	4.3
429.17975	11.5
429.80243	0.8
455.19122	6.0
575.23724	77.8
576.24139	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	575.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81939	0.9
56.96502	38.9
67.05421	1.3
69.03351	1.5
69.06998	1.2
70.06499	8.7
71.95210	1.4
72.08080	2.2
72.95956	1.1
74.97530	1.2
81.06999	1.3
84.04401	1.3
84.08071	7.5
85.02817	1.8
86.09639	7.8
98.97524	11.6
102.96944	1.3
109.10162	1.1
110.74735	1.0
112.99111	5.5
116.98550	10.8
120.08065	1.7
128.98541	8.5
129.10243	1.7
131.00130	14.8
131.00983	1.3
134.99648	10.3
135.08093	1.1
137.05989	4.6
137.09618	1.6
143.00153	5.4
146.99615	11.4
149.01187	21.4
149.02275	1.2
158.99586	1.4
161.01222	13.4
163.07524	1.1
165.00714	1.2
167.02281	2.8
167.07056	2.7
168.07372	2.2
177.00732	4.4
179.02231	2.6
185.01262	6.8
187.02809	5.4
189.00728	4.1
191.02356	1.9
191.68285	1.5
195.10124	1.3
203.02257	24.9
203.04004	1.5
221.03381	6.8
227.02409	1.4
245.03435	5.5
249.11757	7.1
263.04431	2.8
267.12610	100.0
268.13016	1.5
285.13672	99.3
286.14124	1.5
290.14227	2.4
303.14847	5.2
308.15192	1.5
309.13739	4.9
327.15060	2.1
429.17908	10.4
455.19537	8.9
575.23889	95.3
576.24121	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	575.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40859	0.1
51.02322	0.1
51.12843	0.1
53.70334	0.1
54.81283	0.1
55.01820	0.2
57.03367	0.2
57.16595	0.1
61.02857	0.1
62.06680	0.1
67.45947	0.1
69.03344	0.9
70.85341	0.1
72.08068	0.1
74.05981	0.3
75.52499	0.1
79.05405	0.3
85.02827	2.1
86.09616	0.2
86.87684	0.1
91.05399	0.3
93.06969	1.1
95.04888	0.1
97.02831	0.9
98.97545	0.1
99.04394	0.2
100.51987	0.1
103.05393	5.3
103.69309	0.1
107.04899	2.1
115.03847	0.1
116.98581	0.2
120.08050	100.0
121.08397	1.2
121.76147	0.1
127.03870	1.0
131.04887	3.0
140.07033	0.1
145.04951	0.3
149.05971	1.7
166.08591	29.5
167.08916	0.5
219.01772	0.1
222.04245	0.1
248.11127	0.5
368.11398	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07009	4.4
64.33767	1.7
67.05415	4.6
69.06965	1.9
81.06969	3.4
87.50639	1.8
87.87604	1.9
95.04884	1.9
95.08499	4.1
189.07771	2.1
196.84213	1.9
228.64096	1.9
263.12552	4.4
552.43054	2.5
575.39069	100.0
576.39301	9.5
583.39862	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82214	1.0
55.05445	1.2
56.04969	2.5
63.16599	0.9
64.50810	1.0
67.05425	1.0
69.03313	1.4
69.06959	1.6
70.06504	18.0
71.04909	1.5
72.08054	5.6
79.05405	1.5
84.04412	6.7
84.08067	8.1
85.02824	1.7
86.09636	9.4
91.05391	7.6
92.64777	1.1
92.86496	1.0
94.04083	1.5
100.11182	1.2
103.05389	5.9
103.20863	1.2
105.06950	4.3
107.04903	1.0
109.06406	1.2
110.07104	5.2
119.04875	5.3
119.08510	1.0
120.08041	5.0
121.06454	1.3
122.03559	6.0
123.07980	1.0
128.06218	1.2
129.06944	1.6
129.10204	5.0
130.06540	1.0
131.04890	14.8
131.08493	1.5
133.02808	1.6
133.06400	1.5
136.07481	1.0
137.05946	100.0
137.09573	1.1
138.06303	1.8
138.83743	1.2
143.08542	1.4
145.06467	1.1
147.04343	4.8
147.08034	1.5
149.05922	1.6
151.07518	13.6
161.05908	8.1
163.07480	11.8
165.07013	1.4
174.06773	1.3
175.07510	11.7
187.07510	4.8
189.09062	5.9
195.08032	1.2
203.10567	1.2
213.09079	1.4
221.05905	1.4
223.07164	1.1
227.10571	4.2
233.09567	5.4
235.00722	1.1
235.16847	2.2
241.08574	1.1
261.08990	4.3
265.08423	1.4
287.12723	4.0
293.11789	4.2
297.11145	1.5
299.12744	2.1
311.12601	3.6
325.14188	1.1
351.15787	4.2
369.16779	1.4
381.17053	1.2
398.17117	1.1
475.20724	2.0
493.21835	4.4
505.21924	1.3
537.28033	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04768	0.6
55.05444	1.9
56.04972	18.6
60.04459	4.5
60.05573	11.0
61.01076	14.7
67.05410	1.3
68.04921	1.1
69.03344	1.8
69.06982	4.6
70.02852	0.9
70.06507	85.7
71.04904	1.7
71.06837	1.4
72.08067	18.1
73.02857	0.9
74.05990	4.7
74.10407	0.8
83.06022	1.2
84.04424	17.2
84.08067	30.1
85.02826	3.3
85.08381	1.0
86.09624	100.0
87.09959	1.7
88.03920	10.3
91.05392	3.6
92.10830	1.0
95.06043	1.0
96.04436	1.2
97.07571	0.9
98.05978	9.5
101.07080	5.1
102.05471	4.6
103.05396	1.3
104.05269	30.6
107.04889	1.3
110.07114	10.7
112.08682	7.9
112.95785	0.7
113.07085	4.1
114.10191	1.1
115.08624	6.0
116.07026	15.9
119.04892	1.9
120.08061	6.6
125.07088	0.8
126.05440	0.9
129.10196	19.1
130.04973	3.4
130.06541	0.9
130.09708	6.3
131.04874	1.0
136.07539	6.2
137.05948	1.9
141.10211	1.6
146.06310	16.1
148.06030	0.8
156.10164	1.6
156.11259	8.7
157.10788	1.1
157.13313	3.7
158.09190	12.5
159.07755	0.8
167.07054	1.4
173.12915	1.0
174.05740	11.8
175.11861	32.9
183.11263	1.2
185.12808	1.1
187.14398	7.3
197.08160	3.1
199.18079	1.0
201.12300	12.6
215.13879	1.9
228.16910	1.2
229.15427	1.4
245.11151	1.0
253.16547	1.2
271.17572	3.6
288.20227	31.3
289.08325	1.3
413.21130	1.4
470.58099	0.8
550.45215	0.8
575.28497	5.2
576.27887	74.2
577.16827	15.8
577.31061	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05456	2.3
57.07021	1.1
61.87758	1.0
64.10859	0.8
67.05404	1.1
69.03353	2.4
79.05401	1.3
81.06975	1.1
83.04906	2.2
85.92202	1.1
91.05402	5.9
105.06992	1.4
107.08539	5.5
111.04382	1.5
119.08539	100.0
133.06458	11.1
135.08064	1.4
151.90106	1.0
263.12717	3.9
397.19839	1.7
509.03336	1.2
531.26996	5.9
559.37781	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56577	1.1
51.77111	0.9
52.54083	0.9
55.05452	1.1
56.96496	2.2
65.03866	7.8
65.05019	1.1
67.05437	1.6
67.77818	1.0
93.58976	1.2
95.08532	1.7
121.02796	9.9
139.03903	2.2
149.02321	100.0
149.03404	6.8
151.78569	1.2
154.94131	2.5
172.95189	18.9
175.03867	1.2
175.12593	1.1
190.96260	16.5
193.04926	51.8
197.98439	1.7
210.96838	2.0
228.97824	10.2
297.03500	1.5
303.27438	1.2
319.19501	1.4
337.20581	8.7
341.06573	2.7
359.07516	1.3
385.09052	5.9
473.19669	19.5
474.19833	9.8
577.13251	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	577.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61129	1.2
54.81573	1.6
55.05458	3.7
56.04980	22.0
58.31176	1.3
60.04459	6.0
60.05592	13.1
60.11248	1.4
61.01079	14.2
69.03349	2.5
69.06986	3.0
70.06511	100.0
70.06897	3.3
71.04918	1.6
71.06838	6.5
72.08073	23.0
74.05993	10.2
74.11163	1.4
76.31533	1.5
76.55887	1.7
81.03360	1.6
82.20813	1.3
83.06024	2.0
84.04433	20.4
84.08072	29.7
85.02830	6.3
85.08377	1.6
86.09632	97.8
87.09988	7.0
88.03916	9.8
91.05400	3.4
97.02818	2.8
97.07580	1.9
97.80616	1.5
98.05984	11.6
101.07099	6.2
102.05484	2.8
103.05405	1.9
104.05269	29.9
105.05563	1.7
110.07149	17.1
112.08694	7.9
115.08659	6.4
116.07058	17.2
119.04865	1.7
120.08062	10.4
127.08723	1.6
129.10213	17.2
130.04994	3.4
130.09723	2.8
136.07555	7.0
137.05928	2.5
141.10239	1.8
142.12273	1.7
143.11652	1.5
146.06296	13.9
156.11307	5.7
158.09189	13.5
168.13927	1.6
174.05748	12.0
175.11871	30.4
187.14374	13.7
201.12379	10.9
202.12605	2.2
215.13919	2.6
263.68674	1.5
271.17615	2.1
288.20279	32.3
289.20438	6.6
373.18356	1.9
397.25568	8.4
437.49902	1.7
439.66501	1.8
489.82721	1.5
576.28046	44.8
577.16595	56.5
577.30762	57.8
578.16785	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	577.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05437	0.9
56.96502	16.1
70.06512	6.9
72.08076	3.0
75.17534	0.7
81.06978	1.0
84.04400	1.1
84.08069	5.3
86.09629	5.7
89.74368	0.8
92.64075	0.8
98.97498	10.5
110.07136	1.6
110.97550	1.1
112.99067	3.1
116.98559	10.1
120.08052	0.9
128.98592	5.5
129.10219	1.1
131.00137	12.5
134.99605	7.7
135.90656	0.7
143.00150	4.2
146.99590	7.9
149.01193	12.3
158.99631	1.8
161.01164	11.7
163.07471	0.8
167.02313	1.6
170.99699	1.2
177.00661	3.2
179.02231	1.9
185.01172	5.6
187.02733	1.8
189.00691	1.8
191.02263	1.0
203.02225	19.2
215.06012	1.0
221.03281	8.1
227.02290	1.2
227.17278	0.8
245.03357	5.4
251.12968	5.7
258.94467	0.9
263.04510	3.4
269.14175	59.6
270.14804	0.9
287.15231	100.0
288.15741	3.7
292.15820	3.2
305.16354	3.5
310.16983	3.5
311.15173	6.3
325.16696	0.9
329.16388	1.1
330.88727	0.8
397.18777	0.9
431.19336	6.2
457.21259	6.5
465.79739	0.8
467.42114	0.8
577.25421	69.7
578.25873	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	579.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81675	1.4
55.01790	6.1
56.04970	1.9
56.24066	1.3
57.03361	1.6
60.04449	1.9
65.03838	2.5
67.05414	1.7
68.99704	3.2
69.03331	2.7
69.06960	1.5
70.06142	1.7
70.06506	32.9
72.08072	15.4
72.89551	1.6
74.02347	1.5
84.04433	11.5
84.08060	18.8
85.02815	2.5
86.09606	9.7
91.01516	1.5
91.05396	3.4
95.04869	3.0
97.02802	2.7
98.89236	1.4
101.07062	1.9
102.05463	1.9
104.05277	2.2
105.06971	1.8
107.04856	2.5
110.07095	16.0
111.04374	6.2
119.04864	3.4
120.08047	2.0
123.04378	72.2
127.03841	2.4
127.08579	1.4
129.10172	9.9
131.04890	3.7
133.06200	1.4
134.04483	2.7
135.04355	6.4
136.06133	9.0
137.02394	1.3
137.05867	2.9
139.03874	100.0
144.08020	7.2
145.06499	1.6
147.04366	17.8
148.54456	1.5
150.42184	1.6
151.03847	9.0
153.05400	2.7
157.06300	1.8
161.05925	12.1
163.03853	66.9
165.05411	1.9
169.06418	3.1
171.04422	2.4
173.05888	2.6
175.03857	1.8
177.05408	2.0
181.04799	2.2
185.05865	6.5
187.03856	1.9
189.08134	1.9
197.05913	6.6
201.05396	7.1
213.05423	11.1
225.05414	7.7
229.04878	9.5
231.06459	2.1
241.04980	13.0
243.06433	8.2
247.05858	13.9
259.05933	39.6
271.05917	12.5
289.07089	12.4
301.07050	3.7
360.63623	1.8
393.09348	2.0
409.09006	20.1
423.10318	2.1
427.09814	2.2
433.08807	1.9
578.18616	1.7
579.20892	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	579.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66834	0.9
55.05436	4.9
55.12360	1.0
56.04966	5.2
56.96517	1.0
58.06512	1.1
60.04451	6.1
60.21358	0.9
67.05415	1.3
69.06991	2.5
70.02896	1.0
70.06505	51.0
71.04940	1.1
71.06838	2.6
72.08063	15.7
74.05994	2.5
79.05428	1.4
81.07004	1.4
83.06029	1.8
84.04431	16.5
84.08066	35.6
85.02831	6.5
86.09627	38.4
87.05461	1.1
88.03915	2.8
91.05392	6.6
93.04462	1.6
95.04896	1.8
95.06057	1.6
101.07111	1.7
102.05497	5.4
103.05382	1.9
104.05234	2.2
105.06974	6.0
107.04924	2.0
107.08560	1.9
109.02774	1.2
110.07116	22.5
111.04376	1.5
112.08663	1.7
114.05489	1.4
115.08670	2.1
116.07045	1.5
116.98530	1.7
119.04888	4.8
119.08559	2.0
120.08050	21.6
121.02857	1.4
121.06477	6.0
121.10103	2.0
122.06802	1.6
123.04391	2.1
127.03905	1.6
129.10188	20.9
130.04964	2.9
131.04906	1.8
132.05666	1.7
133.06487	1.5
135.04405	1.4
136.07510	9.3
137.05948	13.5
143.08330	1.4
145.10100	1.8
147.04420	5.7
149.06000	4.9
150.06372	1.2
151.03928	6.6
153.05455	2.1
153.06650	1.1
159.11578	2.0
161.05983	1.8
162.06668	1.7
163.07538	2.0
173.12849	1.7
177.05316	1.5
177.16376	1.7
193.04953	2.5
219.17311	2.4
340.12683	1.5
399.27267	2.4
486.51193	1.6
496.16428	1.4
578.32190	2.3
579.18341	100.0
579.32806	28.6
580.18970	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	579.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45897	0.3
55.05445	0.8
56.04967	1.0
57.03360	0.4
60.04461	1.6
63.01418	0.4
70.06509	12.6
72.08070	8.9
74.05992	0.7
76.02152	0.7
83.06016	0.6
84.04424	4.8
84.08068	8.2
85.02829	1.0
86.09623	5.7
86.10151	0.5
88.03933	0.6
90.00497	0.4
90.29617	0.4
91.05373	0.6
95.06051	0.4
101.07108	0.5
102.05502	0.7
110.07123	5.2
115.08621	0.5
116.07037	0.6
119.04906	0.7
120.08069	2.7
129.10178	6.3
130.04968	0.7
131.04855	0.4
132.05482	0.4
136.07565	0.6
137.05978	2.1
139.03850	1.0
147.04376	0.4
263.08957	1.0
335.22000	0.6
399.27277	0.8
417.15326	0.8
503.15356	0.5
561.19623	0.6
579.20404	100.0
579.33405	4.9
580.20605	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	579.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24486	0.3
54.20177	0.3
55.05445	0.7
57.03363	1.5
57.07008	5.5
61.70898	0.3
63.42050	0.3
67.05418	1.7
69.06982	1.3
71.08549	4.1
81.06976	2.0
81.40988	0.3
83.04912	0.4
83.08513	0.5
85.10090	2.5
93.06966	0.5
95.08527	2.1
97.10080	0.4
109.10104	0.7
115.66116	0.4
159.23514	0.3
163.11176	0.4
188.44595	0.3
267.11972	18.5
268.12228	0.5
313.27313	2.4
316.09442	0.4
323.14737	4.2
505.16077	0.4
579.38562	100.0
580.38977	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	580.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00224	0.7
53.03861	0.8
55.01800	4.0
55.05437	4.9
56.04951	0.7
57.03370	11.4
58.16469	0.7
59.04928	3.4
67.05423	16.6
69.03345	98.9
69.06976	4.4
69.78226	0.6
70.06519	8.2
71.04894	1.7
72.08068	5.3
73.02816	0.7
75.04377	3.6
79.05400	10.7
81.03329	0.9
81.06969	63.2
83.01241	0.8
83.04903	8.2
84.04405	1.6
84.08057	6.4
85.02351	1.2
85.02821	25.8
85.06444	1.0
86.09616	11.6
87.04388	25.1
91.05386	10.0
93.06966	14.2
93.09248	0.7
95.04877	4.0
95.07966	1.2
95.08533	26.0
97.02221	1.2
97.02811	23.7
97.06437	4.0
97.10089	2.8
99.04368	1.6
103.05389	1.6
105.06966	26.2
106.95258	0.7
107.04872	3.0
107.08527	14.9
107.31520	0.7
109.06464	4.8
109.10098	9.8
110.07082	0.8
111.04391	3.2
111.08006	0.8
115.03074	1.3
115.03876	26.9
117.06969	6.8
119.04861	0.9
119.08529	22.9
120.08052	4.1
121.06472	1.4
121.10098	7.7
123.08025	1.4
123.11649	100.0
124.11944	1.1
125.05911	3.3
127.03210	0.6
127.03891	10.4
129.05429	63.4
129.10193	3.5
131.08513	19.6
133.04964	11.1
133.10094	17.6
135.07982	1.6
135.11670	5.1
137.05922	4.5
139.07544	0.8
141.12711	4.6
143.06992	8.7
143.08519	3.0
144.09334	0.9
145.04941	3.1
145.06415	1.4
145.10100	18.9
147.07991	1.4
147.11653	31.3
149.09569	1.4
149.13235	6.3
150.07616	0.9
151.07452	1.0
151.11214	1.2
155.06993	3.1
156.09361	1.0
157.08597	0.8
157.10022	1.4
159.07941	1.0
159.11670	10.5
161.09593	1.4
161.13211	49.3
163.14774	1.0
165.12666	4.5
169.08540	2.8
171.11618	6.0
173.09627	1.2
173.13205	29.5
177.12679	1.7
179.10634	0.9
183.11615	3.4
189.12703	15.5
191.14250	4.9
193.12209	1.3
201.12709	10.6
207.13786	9.5
209.15327	1.0
219.13770	16.7
221.15253	8.4
225.14832	1.1
233.15335	1.5
237.14799	26.2
239.14085	1.4
239.16342	23.5
251.16394	14.0
259.08173	0.9
269.17395	60.3
270.17709	1.0
364.02307	0.8
459.08090	0.7
607.45190	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99196	1.7
55.01814	2.9
55.05441	9.5
57.03370	13.4
59.04947	2.8
67.05429	19.4
69.03351	100.0
69.06976	9.1
70.06506	26.1
71.04900	2.6
72.08064	9.0
74.80137	1.8
75.04397	2.6
79.05405	12.1
81.03316	2.3
81.06974	50.3
83.04895	4.5
83.08487	2.5
84.04426	2.8
84.08050	16.2
84.68156	1.8
85.02826	33.4
86.09642	18.7
87.04390	25.9
87.10027	1.9
91.05399	12.9
92.10312	2.6
93.06983	15.2
93.58318	2.0
95.08540	31.0
97.02819	23.0
97.06477	4.7
97.10109	2.9
98.47083	2.1
102.05477	2.9
103.05387	2.7
105.06987	30.8
107.08546	23.1
109.06464	8.3
109.10107	10.3
109.60803	2.4
110.07133	4.4
111.04387	3.0
112.02612	1.9
115.03883	27.9
117.06979	8.2
119.08539	26.6
120.08074	11.9
121.10108	10.8
123.11662	76.9
125.91354	2.1
127.03911	9.3
129.05440	73.8
129.10199	12.0
131.04958	2.7
131.08537	18.7
133.04935	14.0
133.10086	22.7
135.11693	2.9
137.05971	8.9
137.09502	3.0
143.07008	10.8
144.09349	2.6
145.06429	2.6
145.10065	17.1
147.08073	3.6
147.11679	33.4
149.13214	7.5
151.07489	2.5
155.07045	2.9
159.07968	2.4
159.11652	11.7
161.13243	60.8
165.12723	2.8
169.08585	3.7
171.11693	10.1
173.13193	29.6
177.12732	2.7
179.10690	2.6
183.11679	2.4
184.05161	2.1
189.12694	18.3
191.14310	4.0
201.12700	9.8
207.13776	14.1
209.15408	2.4
219.13745	19.4
221.15327	12.8
237.14847	30.1
239.16385	39.2
240.16814	2.6
244.57361	2.0
251.16437	17.1
269.17401	79.3
466.67401	2.1
579.02966	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	582.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20395	0.5
55.05458	2.7
56.04962	0.9
56.96497	0.9
57.03383	1.1
60.04453	0.9
62.39808	0.7
67.05422	1.4
69.03369	2.4
69.06980	0.8
70.06511	12.5
71.04903	0.8
72.08073	5.6
79.05410	1.6
81.06969	1.4
84.04430	3.8
84.08061	7.9
85.02833	3.3
86.09621	11.1
91.05410	3.2
92.65121	0.8
93.06980	1.1
95.08595	1.0
97.02814	1.4
100.11191	1.3
102.05489	1.3
103.05432	1.6
105.07004	1.6
107.04914	7.6
107.08507	1.1
110.07104	1.5
113.33796	0.8
119.08565	1.4
120.08065	5.9
121.06505	0.9
122.03603	2.6
129.10201	4.0
130.06514	0.8
131.04922	3.6
131.08414	0.8
136.07591	1.6
137.05954	100.0
138.06287	1.7
151.07570	1.2
159.04199	0.8
159.09175	1.3
162.03120	1.3
163.03868	3.0
163.07539	6.7
164.08255	1.1
167.07001	0.8
181.08557	6.3
186.67786	0.7
190.02615	4.7
207.02890	1.2
208.03674	3.8
223.05972	30.4
224.06374	1.0
253.17860	2.6
329.19336	0.7
332.04965	0.7
403.13828	1.2
415.89600	0.8
509.36215	0.7
512.02612	0.8
522.27313	0.7
581.23376	1.4
582.23993	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	582.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05439	11.8
56.16428	2.3
57.03372	3.3
57.06804	2.1
57.07013	32.7
59.04943	3.8
65.47517	2.0
67.05430	80.7
69.06989	11.1
71.08545	24.0
73.01409	2.2
81.06969	19.2
83.08535	12.8
85.10110	11.6
89.45295	2.6
93.06976	4.7
95.08530	20.4
98.98387	6.8
107.49615	2.6
109.10107	73.9
119.08508	3.5
173.11755	6.3
229.14311	4.6
259.93796	2.6
313.27219	3.1
322.09946	3.1
458.04010	3.5
467.37183	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11606	0.8
57.07008	1.6
62.40494	0.8
68.71536	0.9
70.06506	5.1
70.53915	0.7
72.85508	0.8
73.66103	0.8
82.58684	0.9
88.07562	6.8
96.51394	0.9
102.09138	1.7
106.08623	4.8
111.67691	1.0
156.01770	1.1
157.94933	0.9
167.07088	0.9
182.09636	1.4
195.09225	4.6
196.09753	1.9
197.10638	4.0
204.09019	1.2
205.08630	1.0
208.09952	1.7
209.10703	25.2
210.11430	13.5
211.08701	4.0
211.12064	1.4
223.12357	4.6
225.10118	7.3
226.11038	1.3
227.11769	2.0
237.10150	13.3
238.10976	12.3
239.11725	4.0
240.12662	1.0
241.13179	1.2
242.10324	0.9
251.11795	6.2
252.12674	1.2
253.13310	5.8
255.11314	1.8
256.26440	4.4
269.12802	13.6
270.90213	0.9
271.10666	1.5
274.27341	47.5
274.30234	1.6
279.11267	2.1
284.11545	1.0
297.12268	100.0
298.12546	7.4
299.13791	8.2
302.12897	1.0
318.30048	1.6
330.16214	1.4
421.16238	1.1
435.17883	1.8
450.20432	1.3
451.21710	1.2
465.22711	1.9
509.21509	1.5
583.25385	84.4
584.25537	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	583.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07665	0.9
56.25299	0.9
64.91711	1.0
67.05430	1.2
86.09601	1.2
89.99968	1.1
95.08524	1.3
158.16386	1.2
204.10269	2.0
209.10701	1.9
210.40540	1.1
213.10060	1.7
216.10252	5.3
220.10088	1.1
223.12259	2.2
230.11754	9.9
233.10542	1.2
235.12175	1.9
236.11801	1.1
245.10489	6.8
247.12370	1.6
250.13286	1.5
251.11826	8.5
257.82773	1.3
258.11252	2.6
259.10522	1.4
265.12143	1.8
280.11771	1.3
280.14297	10.5
283.10757	1.5
284.11743	1.6
290.12878	1.7
292.14377	1.7
296.13922	1.6
301.12097	2.0
304.11694	17.6
306.15875	5.7
307.16864	1.6
314.12875	1.5
319.13004	5.5
327.13684	2.0
328.14404	2.6
330.16177	1.7
339.85773	1.2
340.14398	1.8
342.15805	3.5
343.12897	4.8
344.17526	1.3
350.84763	1.1
356.17487	7.1
366.16159	1.2
373.14203	1.1
374.14960	5.7
387.15842	2.3
389.17233	1.2
402.17883	12.2
406.86493	1.0
435.17722	2.0
436.18655	2.0
481.22604	2.1
506.20132	1.3
509.21622	2.4
523.22784	1.7
565.24329	1.3
568.23163	4.4
583.25391	100.0
584.25250	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	583.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00243	0.2
57.07011	7.5
58.06535	0.2
60.30054	0.1
62.06004	0.4
65.65779	0.2
70.06508	10.3
71.08545	3.2
72.08058	0.1
85.10085	0.9
86.05959	0.2
88.07551	16.1
92.10940	0.5
102.09121	4.7
106.08608	10.0
107.59126	0.1
140.17393	0.2
163.39706	0.1
188.77042	0.2
212.23669	0.3
214.25458	0.2
230.24734	1.2
256.26288	5.9
274.27344	100.0
275.27686	4.9
339.80878	0.2
349.64835	0.2
481.90152	0.2
583.25067	0.6
584.56152	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03971	0.7
52.11049	0.5
56.96486	0.5
69.03346	1.2
70.06506	1.0
85.02817	3.6
86.09599	0.8
97.02788	0.8
98.69566	0.6
116.07047	1.3
120.08169	0.7
122.03551	0.8
123.04397	1.5
127.03901	1.0
137.05937	4.3
140.04649	1.5
165.05475	0.7
168.04114	1.4
183.06477	100.0
184.06796	3.3
193.04861	0.9
225.07530	20.2
229.15433	1.0
241.60057	0.7
243.08566	2.7
278.69312	0.7
459.84491	0.7
612.26868	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99418	0.5
56.96473	0.7
65.52445	0.5
69.13248	0.6
70.06517	6.2
72.08055	2.9
76.56613	0.6
84.04451	1.1
84.08073	5.4
85.02792	0.6
85.78147	0.6
86.09617	5.0
96.06744	0.6
103.05389	0.7
105.07007	1.2
110.07095	0.8
114.37482	0.7
120.08065	1.6
121.06464	0.9
129.10196	3.1
137.05977	1.4
142.99077	0.8
151.03851	1.1
161.05875	0.7
167.07022	1.3
167.51384	0.8
335.09470	3.9
453.20578	1.3
484.78683	0.7
555.23993	3.4
585.25031	100.0
586.25415	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	586.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01817	0.1
57.03369	0.2
60.04439	0.1
61.01074	4.4
65.07547	0.1
66.54263	0.1
69.03350	0.6
69.07021	0.1
70.02869	0.1
70.06503	1.1
72.08063	0.3
74.02329	0.3
75.02606	1.9
76.55727	0.1
84.04424	0.3
84.08062	0.6
85.02810	0.3
86.09624	0.6
87.02596	0.1
92.10371	0.2
92.10897	0.1
94.03984	0.3
97.02821	1.6
103.02094	0.4
103.05396	0.1
103.08237	0.1
110.07114	0.4
112.08626	0.1
115.03896	0.1
116.98556	0.2
119.03512	0.6
120.08039	0.1
121.88451	0.1
123.04384	0.3
127.03868	0.1
129.10205	0.4
131.04889	0.4
134.99606	0.1
136.06149	100.0
137.04526	0.4
137.05913	0.9
137.06657	0.3
139.03870	0.3
140.04491	0.1
141.98784	0.1
144.08051	6.9
145.03174	1.1
145.08379	1.4
146.99599	0.1
151.03896	0.1
158.99600	0.1
162.86987	0.1
163.04184	0.9
163.07692	0.1
171.09100	0.1
173.08858	0.1
217.09705	1.6
218.10036	0.4
237.02751	0.2
274.75958	0.1
293.08896	0.1
298.09601	13.6
299.09753	0.3
410.78546	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	586.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02320	0.3
52.72953	0.3
53.03889	1.8
55.01817	5.1
55.05442	0.4
56.04974	0.6
57.03367	0.8
61.02858	0.4
65.03860	4.6
67.05409	1.0
69.03337	1.9
69.06979	0.7
70.06509	14.3
71.04884	0.7
71.06837	0.5
72.08073	3.4
74.05988	0.9
75.04393	5.7
77.03813	0.5
78.04608	3.3
79.05409	5.2
81.03333	0.8
81.06975	0.9
83.04913	0.4
84.04425	4.8
84.08062	5.4
85.02820	9.1
86.09628	7.4
87.05508	0.5
89.03833	1.8
89.05942	0.6
91.05405	23.8
93.03333	20.2
93.03923	0.7
93.06968	10.4
95.04898	11.2
95.08527	0.8
96.05659	0.5
96.08093	0.5
96.73324	0.5
96.98898	0.5
97.02794	1.0
97.06441	4.9
98.97482	0.6
100.40873	0.5
101.07080	0.9
102.05453	0.6
103.05401	13.8
105.03326	0.7
105.04477	1.6
105.06274	0.5
105.06975	13.7
106.04115	49.8
107.04948	2.9
107.08566	0.4
108.05661	0.8
109.06468	2.4
109.48513	0.4
110.07117	2.5
111.04407	1.5
115.05391	2.3
116.98573	0.4
117.03323	1.8
117.06962	0.6
118.04089	2.0
119.04891	5.5
120.08074	1.8
121.06456	58.2
121.10162	0.5
122.03604	0.7
122.07266	0.9
123.04385	1.7
123.08009	2.3
124.05141	1.0
125.05117	0.6
125.05967	11.7
129.10204	3.5
130.04074	0.6
131.04903	7.8
131.05884	0.6
133.02817	7.8
133.06453	13.6
134.03595	7.7
135.04390	0.9
135.08043	0.7
136.07529	0.7
137.05949	12.0
138.06700	2.6
139.07512	5.2
145.02809	2.3
147.04390	4.1
148.05151	4.4
149.05956	79.4
150.06322	1.0
151.03857	0.8
151.07521	6.1
152.08310	0.9
153.05432	3.8
153.09076	20.7
161.05946	20.6
162.06644	0.9
163.03853	0.8
163.07509	7.1
165.05421	2.6
166.06203	2.9
167.06967	3.5
176.04675	0.7
177.05429	34.9
177.08905	0.8
177.33099	0.4
178.05754	0.6
179.06985	1.9
181.08551	30.1
191.06996	12.9
191.08589	0.7
193.08574	12.2
201.12299	1.9
209.08052	100.0
210.08391	1.7
219.01797	0.6
226.12015	0.5
229.15367	0.5
294.17120	0.4
339.12103	0.7
341.13760	0.6
357.13187	0.5
586.11676	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02329	0.4
53.03878	1.4
55.01807	5.0
57.03371	0.5
60.58647	0.3
61.02851	0.5
65.03861	4.7
67.05431	0.8
69.03342	0.7
70.06493	2.9
71.04920	0.5
72.08055	1.4
75.04388	7.5
76.19106	0.3
77.03828	0.5
78.04616	3.6
79.05420	4.3
81.03346	0.8
84.04436	1.3
84.08064	1.6
85.02826	7.6
86.09624	3.0
89.03828	2.2
89.05946	2.0
91.05403	23.2
93.03330	19.6
93.06966	13.2
93.97105	0.4
94.04109	0.5
95.04892	11.1
97.02856	0.7
97.05888	0.6
97.06435	4.4
103.05397	12.3
105.03351	0.6
105.04452	1.3
105.06969	9.7
106.04112	58.3
107.04899	2.4
108.05656	0.4
109.06471	1.7
110.03571	0.8
110.07157	0.9
111.04375	2.1
115.05384	2.1
117.03366	1.3
118.04089	2.2
119.04890	5.3
121.06454	61.2
122.03606	0.5
122.07158	0.6
123.04373	1.7
123.08022	1.3
124.05173	2.0
125.05946	13.8
129.10199	0.4
131.04892	4.1
131.05801	0.6
133.02809	8.3
133.06454	8.2
134.03581	8.3
135.04358	2.3
136.06320	0.4
137.05957	11.5
138.06789	2.9
139.07538	4.9
145.02820	2.7
147.04384	4.8
148.05176	5.0
149.05956	87.0
150.06378	1.9
151.03877	0.7
151.07515	3.9
152.08260	1.8
153.05463	4.3
153.09074	22.4
161.05945	12.5
163.07516	6.1
165.05417	3.1
166.06194	2.9
167.06966	2.0
176.04530	0.4
177.05429	34.8
178.05812	0.5
179.06972	1.5
180.07797	0.4
181.08553	27.9
182.08940	0.6
191.06981	15.3
193.08571	7.5
209.08054	100.0
210.08372	2.5
210.10164	0.3
217.08411	0.4
275.46686	0.3
277.36755	0.4
339.12051	0.6
341.13596	0.4
359.14862	0.5
458.48398	0.4
511.68393	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48750	0.3
55.01809	0.3
55.05454	0.3
56.01334	0.3
57.07013	3.2
59.04925	2.5
61.02847	0.4
66.21917	0.2
67.05418	2.7
69.06980	3.7
70.02864	2.4
72.04424	9.3
72.08072	0.3
73.02820	2.3
73.76193	0.3
74.02336	1.1
83.04915	0.4
83.27287	0.2
84.08057	0.3
85.02838	3.1
85.06464	6.9
86.09620	2.4
87.08035	1.9
90.05476	76.8
91.05304	0.2
91.05834	0.5
95.04894	3.8
96.08069	0.3
97.02828	0.5
98.02340	9.4
100.03907	1.6
103.07516	5.2
112.07546	0.4
113.05943	2.0
115.05354	0.4
116.03405	11.7
117.05665	0.3
118.06493	7.6
119.06831	1.0
120.08064	1.1
124.06636	0.4
124.07546	12.1
130.06497	1.1
131.06989	1.3
132.08011	1.9
142.06544	0.6
142.08611	6.1
143.07269	0.3
144.04500	0.3
144.08072	5.1
145.08354	0.4
146.05986	26.4
147.06332	2.5
156.10199	1.1
159.09154	2.6
160.07538	0.5
160.09598	2.3
166.08591	2.7
170.06000	1.7
174.11177	2.2
184.09653	14.8
188.07025	24.7
189.07332	2.8
190.07637	0.5
202.10698	24.8
205.09660	4.1
206.10092	0.6
220.11754	100.0
221.12126	2.4
258.13986	0.3
280.96326	0.3
334.35358	0.3
382.17099	1.8
592.31091	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00253	1.0
55.05453	2.0
57.07014	48.3
68.05865	1.0
69.06993	1.4
71.08545	29.1
73.06452	8.3
78.88843	0.9
83.08527	2.3
85.10104	20.1
87.04407	8.1
89.05953	100.0
92.06081	1.0
99.11684	1.6
105.92569	1.3
107.07000	6.6
107.16796	1.1
114.38162	1.0
117.09088	4.7
133.08559	31.4
136.06317	1.4
149.05957	1.3
163.26291	1.1
177.11195	12.6
182.53322	1.1
199.20624	1.9
243.23122	7.8
279.29993	1.3
287.25757	4.5
327.20013	1.7
336.38962	1.1
341.10333	1.1
357.14285	1.3
368.48373	1.2
415.24976	4.2
439.79294	1.2
569.42358	15.0
586.44989	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	587.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05463	5.4
56.96508	2.7
57.03371	3.9
57.49109	2.5
67.05434	3.4
69.03339	5.8
69.06991	5.2
70.06504	15.1
72.08063	3.6
73.06467	100.0
79.05421	11.5
81.03352	3.8
81.03824	3.1
81.06962	7.3
84.04422	5.2
84.08088	11.3
85.02824	3.1
85.06506	3.4
86.09620	12.3
91.05412	5.6
92.63795	3.1
93.06966	11.9
94.89240	2.7
95.04891	4.0
97.06466	11.3
100.11192	4.6
103.05420	3.4
105.06947	14.3
107.08564	3.6
110.07114	3.8
117.06964	3.0
119.08540	5.0
121.06425	4.8
124.25086	2.9
125.68281	3.4
128.06158	3.2
129.06953	2.8
129.10184	4.0
133.06403	4.6
135.08064	4.0
143.08530	3.7
157.35966	2.9
159.08041	3.8
171.07985	5.3
179.08475	3.9
182.15329	3.2
183.71303	3.1
192.27640	3.1
197.09541	4.7
217.09973	3.4
223.11188	3.6
225.08990	5.2
235.11107	5.4
259.11212	4.0
273.12692	4.2
279.13617	4.6
348.39450	3.6
391.88843	3.5
407.18558	4.8
447.03839	3.4
475.21039	4.1
483.23685	4.8
507.23663	14.0
525.24622	15.0
549.14398	4.2
569.23676	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4278
Annotation	Ingenol-20-hexadecanoate
Peak:m/z	Relative Intensity
62.28063	2.6
64.22563	2.1
68.06535	2.6
77.60813	2.8
80.22427	2.2
89.63969	2.5
93.20948	2.6
101.16994	3.1
101.91485	2.4
121.37646	2.4
121.39547	2.2
210.95676	2.5
258.34351	2.6
587.42450	100.0
587.54333	17.1
588.43036	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	588.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00256	0.4
53.03864	0.7
53.81742	0.4
55.01799	2.8
55.05440	2.7
56.04971	3.3
57.03357	2.1
60.04438	0.6
61.02835	0.4
63.12410	0.4
65.03854	0.5
67.05414	0.8
69.03349	7.0
69.06982	1.9
70.06142	1.0
70.06507	22.3
70.97409	0.5
71.06834	0.5
72.08068	16.5
73.08385	0.4
74.05972	2.8
75.04394	0.7
77.03838	0.5
77.87620	0.4
78.04623	0.7
79.05405	9.9
81.03345	1.9
81.06975	1.7
83.06011	0.8
84.04430	11.3
84.07593	0.8
84.08065	17.0
85.02831	6.5
85.08388	0.5
86.09621	20.5
87.09959	0.7
88.03873	0.8
91.05408	12.2
93.06952	2.1
94.04115	0.6
95.04904	5.7
95.06012	0.5
95.08535	1.1
97.02837	3.5
97.06453	0.6
99.04362	0.9
101.07047	1.8
102.05495	4.3
103.05402	24.4
104.06239	0.4
105.06973	39.9
106.07298	0.6
107.04907	6.0
107.08519	1.1
107.94548	0.4
108.05681	2.0
109.02826	0.8
109.06493	3.2
110.07107	6.6
111.04346	1.0
112.08674	0.7
115.03857	0.5
115.05405	3.6
115.08644	2.0
116.06982	0.6
117.06965	2.3
118.04117	11.0
119.04898	9.9
120.05688	2.1
120.08059	7.0
121.06444	5.3
122.03592	2.6
122.07189	2.7
123.04390	5.3
123.07998	4.3
124.05127	3.3
125.05932	1.1
127.03880	2.4
127.79620	0.6
129.06859	0.7
129.10181	8.9
130.04973	0.7
131.04890	39.5
132.05753	1.5
133.02841	0.9
133.06459	39.8
134.07178	2.2
135.04355	2.7
135.08035	8.7
136.05127	3.0
136.07503	2.1
137.05948	57.9
137.09509	0.7
138.06296	0.8
138.09079	0.6
140.07042	0.5
143.11702	0.6
145.04935	1.9
145.06410	0.7
146.03601	2.3
147.04393	11.8
147.11078	0.5
148.05113	2.2
149.05977	7.7
150.06732	24.1
151.03973	0.6
151.07526	13.3
152.08272	7.8
153.05396	2.1
155.07059	1.5
156.07625	0.7
161.05940	7.3
162.06673	2.2
163.07504	38.1
165.05434	0.6
165.09076	27.2
166.06146	0.9
167.06992	33.7
167.08075	1.4
168.07472	0.8
173.85373	0.4
175.07492	2.5
177.05435	4.6
178.06198	2.7
179.06998	9.1
181.04817	0.6
181.08562	2.6
183.06450	3.5
187.07245	0.5
189.09019	0.8
191.06902	1.6
193.08560	100.0
194.08899	2.1
195.10161	2.0
201.12251	0.6
203.06903	1.0
203.10321	0.8
209.08031	1.1
209.11665	2.0
211.09613	87.1
212.09904	0.9
213.09286	0.5
213.11186	2.6
217.08261	0.7
225.11203	0.6
226.11900	0.7
258.14383	0.5
323.10739	0.7
341.13809	10.7
373.16220	5.0
375.17685	0.9
409.08313	0.5
412.45435	0.5
588.21222	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64622	0.3
52.70157	0.3
54.28479	0.4
54.46453	0.3
55.01778	2.3
55.05419	2.1
56.04950	2.5
57.03352	0.9
60.04436	0.7
61.02827	0.5
65.03845	0.6
65.77505	0.4
67.05411	0.9
68.51285	0.4
69.03324	2.3
69.06971	0.9
70.06507	20.9
71.04870	0.4
71.06793	0.5
72.08065	7.9
74.05976	0.7
79.05419	8.3
81.03321	0.7
81.06950	0.6
82.06458	0.4
84.04430	5.6
84.07604	0.5
84.08070	14.8
85.02825	3.7
86.09628	12.9
88.03906	0.4
89.03839	0.4
91.05408	10.7
93.06967	1.0
95.04883	2.8
96.08059	0.5
97.02811	1.0
98.05948	0.6
101.07059	0.6
102.05453	2.1
103.05397	10.6
105.06972	39.2
106.07295	0.6
107.04898	5.6
107.08488	0.6
108.05630	2.0
109.06495	3.4
109.10103	0.5
110.07104	4.7
111.04406	0.7
112.08637	0.6
115.05379	2.3
117.06944	1.0
118.04115	10.4
119.04897	11.1
119.37404	0.5
120.05656	1.1
120.08001	2.3
121.06422	4.5
122.03564	0.5
122.07232	1.9
123.04346	2.9
123.08049	3.8
124.05141	3.1
125.05943	0.7
127.08585	0.5
129.10210	8.5
130.04030	0.5
130.08650	0.4
131.04893	13.2
132.05579	0.8
133.02815	10.6
133.06454	38.4
134.07217	1.0
135.04373	4.6
135.08018	8.9
136.05124	0.5
136.07523	0.8
137.05951	22.2
138.06422	0.5
139.08647	0.5
141.10220	0.6
143.11781	0.6
146.03586	2.5
147.04385	7.1
147.07913	0.5
148.05165	2.5
149.05957	6.8
150.06731	25.4
151.07515	11.6
152.08200	0.9
153.05396	0.6
161.05956	8.3
162.06657	0.6
163.07497	10.9
164.07864	0.6
165.05392	2.3
165.09068	28.4
167.06996	19.0
167.08084	0.8
169.09761	0.7
175.07471	0.8
177.05472	0.8
178.06198	2.7
179.07016	6.4
179.10625	0.7
181.08528	1.0
183.06464	1.8
191.06972	0.8
193.08560	100.0
194.08940	1.7
195.10173	0.5
197.11728	0.5
209.11761	0.5
211.09616	98.3
212.10033	3.5
213.11197	1.0
219.10118	0.5
231.09329	0.5
341.14011	0.9
354.07950	0.5
361.16519	2.4
579.03778	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03881	2.6
54.35033	1.2
55.01807	7.6
55.05225	2.4
55.05453	41.9
57.03376	1.8
57.06994	2.3
58.57973	1.5
59.28374	1.5
66.10988	1.3
67.05426	50.1
69.03326	2.5
69.06999	20.0
70.42094	1.4
71.04893	1.9
79.05403	46.6
81.03325	9.0
81.06973	49.4
83.04429	1.5
83.04893	12.1
83.08535	26.0
85.06491	1.9
91.05409	45.6
92.05730	1.8
92.10241	3.4
93.06972	41.2
95.04896	49.3
95.08535	31.8
97.06450	12.3
97.10088	8.4
105.06977	56.9
107.04893	13.2
107.08545	33.6
109.06462	10.3
109.10098	14.0
111.07993	2.4
117.06979	20.1
119.07762	2.7
119.08540	49.5
121.04981	1.5
121.06443	9.9
121.10102	25.0
123.08012	6.5
123.11722	1.6
123.51490	1.6
125.09574	7.6
129.06935	6.6
130.13185	1.5
131.08517	27.9
133.06427	2.4
133.10101	38.1
135.08026	6.9
135.11568	11.6
137.09601	7.2
141.06953	2.4
143.08536	7.5
145.10110	31.5
147.08038	6.3
147.11667	17.4
149.09599	38.1
149.13275	2.2
151.11143	2.3
155.08513	3.5
157.10097	6.8
159.11647	17.3
161.13200	2.9
163.11145	36.7
165.12686	2.5
169.10107	7.7
171.11699	6.2
173.09613	3.3
173.13248	9.6
175.11119	1.8
177.12756	5.8
183.11603	6.5
187.11180	2.8
189.11139	2.8
197.13278	3.2
201.12738	1.8
211.14769	1.8
213.16310	3.1
223.13205	14.3
229.19571	6.6
239.17955	14.0
257.18985	15.6
275.19986	100.0
276.20346	2.9
293.21048	33.5
355.20905	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73995	1.4
53.65822	1.6
55.05439	2.1
67.05424	2.7
69.06980	2.7
76.88331	1.7
81.06955	7.4
83.08490	1.8
83.57041	1.8
91.05387	2.3
93.06917	1.9
131.70905	2.0
197.49286	2.0
251.12593	3.4
257.35324	2.0
275.60178	2.1
389.60822	2.2
402.20996	2.2
496.19299	2.3
589.40656	100.0
590.41016	8.0
601.48016	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	589.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71486	0.8
54.82100	1.0
66.53075	1.0
75.12067	0.8
90.01045	0.9
124.72803	0.9
188.49951	1.0
212.44313	0.9
365.08484	1.0
453.86349	1.0
589.44244	100.0
590.44684	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	590.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58357	1.3
51.69477	1.3
55.05450	1.9
56.60798	1.8
63.15406	1.6
68.99699	12.2
70.06509	1.9
71.59203	2.0
72.08031	2.8
75.25052	1.7
79.05413	1.8
84.04403	3.2
84.08058	4.3
86.09622	2.9
91.05360	2.4
95.04883	2.1
107.04870	3.6
129.10133	2.3
135.04405	3.6
149.02290	2.2
163.03857	9.2
225.05431	3.3
235.07332	2.5
253.04848	9.9
254.05675	2.6
255.06497	2.3
263.06912	3.2
264.07675	2.7
265.04819	7.2
267.02927	2.9
277.05045	2.5
279.02969	2.1
281.04282	9.1
282.05188	2.2
288.98666	2.1
291.06454	3.7
292.07104	2.3
293.04242	14.4
295.05969	4.2
298.04520	3.2
308.06723	13.9
309.03757	8.1
309.07370	3.8
310.04575	2.6
311.05276	3.0
318.05435	2.3
319.05783	8.5
319.09393	2.4
321.03860	14.1
325.07040	4.7
335.05304	3.3
336.06168	18.3
337.03397	3.3
339.04938	2.4
341.06714	2.3
349.03366	23.3
350.03787	2.9
364.05676	9.1
365.06552	20.7
367.04520	3.2
369.05966	25.9
381.05887	2.6
382.06866	16.0
507.74329	2.0
533.84875	2.4
542.88770	1.9
573.10101	100.0
615.74146	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	1.6
55.05219	0.7
55.05444	6.3
55.43059	0.8
56.04966	3.7
57.03370	0.8
57.07004	1.3
57.68106	0.8
60.04448	1.2
64.63425	0.8
64.72898	0.8
65.03861	1.0
67.04168	0.9
67.05428	4.1
69.03344	2.2
69.06987	4.7
70.06524	0.8
77.00614	0.8
79.04160	0.9
79.05408	10.0
80.04933	4.1
81.03313	1.4
81.06970	14.2
82.06499	54.9
83.04877	1.3
83.08532	8.0
85.02826	9.9
85.10099	1.0
91.05405	4.9
93.06979	8.2
94.06496	62.4
95.04899	7.3
95.08518	1.0
96.08057	4.8
97.02840	1.7
97.06478	1.7
98.09631	12.6
98.97556	1.4
98.98396	1.3
103.05376	3.5
104.04803	1.0
108.08061	5.5
109.02859	1.1
109.06443	2.0
109.10105	1.0
110.09637	4.0
120.08054	16.8
121.06450	2.0
126.09111	32.4
127.03855	1.1
134.38359	0.8
135.02663	1.0
138.09111	100.0
139.09427	1.2
149.82066	1.0
156.10143	12.8
170.20329	1.0
282.24423	1.0
313.27316	1.2
362.30383	1.3
374.30484	5.6
380.31259	7.4
392.31390	7.2
410.27353	1.6
410.32556	40.5
411.32730	3.5
428.33554	2.0
537.63715	1.0
572.37543	4.4
575.21436	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95945	1.2
55.05443	2.8
63.66885	1.1
67.05421	6.7
71.04874	1.6
81.06956	7.5
85.21407	1.3
91.05390	2.3
92.10202	3.2
93.06976	2.1
105.06985	7.2
107.08541	3.3
109.10095	10.6
112.84682	1.4
115.22358	1.3
119.08473	5.5
125.09597	5.2
133.10074	12.0
134.37424	1.4
137.09570	12.1
143.10646	6.8
145.10081	1.8
147.11659	1.7
159.11620	3.0
165.09071	100.0
166.09425	1.8
179.10666	2.4
190.09821	5.3
196.22765	1.5
199.57130	1.6
201.16408	2.1
205.12213	38.3
219.17421	1.7
225.07364	1.6
240.98512	1.4
245.53583	1.9
346.39886	1.6
403.82608	1.7
439.32040	2.8
493.38245	2.4
583.07361	2.2
591.38373	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	591.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82166	0.4
55.05462	0.7
56.04964	2.3
57.68111	0.5
60.04449	1.0
66.41311	0.5
69.06994	0.8
70.06503	14.6
71.06834	0.6
72.08059	6.6
83.06002	0.5
83.86409	0.5
84.04427	3.9
84.08064	11.3
85.02821	0.7
86.09635	8.5
88.03904	0.4
90.13610	0.5
98.05955	0.6
102.05468	2.1
105.06985	0.8
110.07119	3.0
113.06998	0.5
114.37931	0.4
115.08634	0.6
120.08075	1.8
129.10188	4.2
130.10541	0.5
131.04866	1.0
137.05981	1.0
141.10266	0.5
143.11826	0.6
161.05946	1.1
175.03609	5.5
185.04181	0.7
209.15434	0.5
217.04765	3.3
219.06277	5.0
232.07016	38.0
233.07579	1.0
254.12709	0.5
307.11490	10.2
337.91266	0.6
351.10443	17.8
363.10306	0.7
365.12006	14.8
381.11710	0.6
399.13965	0.6
429.15182	6.5
591.20319	100.0
592.20703	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	593.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05438	1.1
56.04976	3.7
56.96534	0.6
57.86351	0.7
60.04456	0.9
61.93520	0.7
62.60924	0.6
69.03336	1.1
69.06991	1.9
70.02893	0.7
70.06510	40.7
72.08070	11.0
72.81437	0.7
74.06006	2.8
83.01019	1.0
84.04431	10.2
84.08076	17.2
84.63403	0.7
85.02830	1.8
86.09626	19.8
86.41912	0.9
86.80474	0.6
87.99810	0.7
88.03917	0.9
88.23736	0.7
91.05429	3.4
92.10898	1.4
95.01046	3.4
96.01831	0.7
101.07113	1.0
102.05479	3.7
103.05412	1.7
105.06980	1.0
110.07132	6.3
112.08673	0.9
113.02106	4.6
116.07064	2.8
120.08083	10.2
121.06452	0.9
121.08394	0.8
127.32016	0.8
129.10216	9.7
130.06583	0.8
131.04915	1.8
136.07597	4.1
137.05978	3.4
151.07491	0.9
152.34578	0.8
155.08241	0.9
157.04694	1.4
159.09210	3.2
161.05873	1.0
169.13321	1.0
185.04205	9.3
185.05615	1.3
189.05228	4.3
201.03778	1.6
203.05283	1.0
219.06244	5.3
234.08598	27.4
247.22141	0.8
365.12082	3.8
381.11728	1.3
409.14838	1.1
469.97964	1.0
475.76309	0.9
593.21918	100.0
594.22620	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07006	1.2
58.04169	0.6
66.78231	0.6
73.02786	0.7
88.81741	0.5
89.05951	3.9
103.22694	0.5
133.08554	1.0
185.26546	0.6
310.31274	1.0
315.19318	1.2
317.19403	0.6
327.80472	0.6
357.79440	0.6
359.50110	0.6
391.36475	0.6
593.41675	100.0
594.42072	6.0
614.69281	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57104	0.4
53.00252	0.4
53.95060	0.4
56.04983	0.5
56.96475	0.8
57.07013	0.4
58.06533	0.7
60.08097	8.2
71.07291	4.2
72.08044	0.4
77.66148	0.4
80.22841	0.4
86.09627	17.6
102.92548	1.0
104.10678	100.0
105.11000	0.7
129.89761	0.4
138.88608	0.5
142.19008	0.4
154.94139	2.8
162.94669	0.5
172.95195	11.1
172.96552	0.8
180.95618	3.5
184.07364	0.5
190.96283	10.1
198.96756	31.7
210.96808	2.5
216.97810	40.6
221.98441	1.9
227.37309	0.5
228.97786	5.3
234.98865	1.0
239.99370	2.3
254.99326	2.0
313.20459	0.6
331.21481	2.9
403.79941	0.4
419.18378	0.6
437.19641	1.0
449.19687	2.8
467.20911	0.7
475.21445	1.0
478.25974	4.6
534.28790	6.7
594.30658	17.8
595.30371	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	595.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20185	0.2
51.74852	0.2
55.29834	0.2
57.03380	0.2
65.03856	5.1
69.03356	0.9
72.19328	0.2
74.22144	0.2
85.50687	0.2
87.04409	0.2
93.03343	0.5
95.04897	0.9
97.02831	0.2
103.05419	0.2
111.04380	0.4
115.03943	0.2
117.18769	0.2
121.02797	3.1
131.04890	0.3
133.04846	0.3
139.03860	4.3
147.04396	0.5
148.05130	0.2
149.02313	100.0
149.03368	5.0
149.72217	0.2
150.02652	2.5
175.03889	1.1
177.05394	0.3
181.10022	0.4
193.04918	70.4
194.05251	2.2
195.11688	0.4
219.06506	1.2
225.05396	0.3
234.48871	0.2
237.07521	19.5
238.07819	0.5
265.19366	0.3
269.04266	0.8
297.00763	0.3
297.03842	1.7
297.06937	0.2
313.06830	1.0
341.06482	4.8
359.07532	1.9
385.09058	15.3
385.13947	0.5
386.09091	0.3
398.22964	0.3
429.11703	5.8
463.39258	0.2
533.10352	0.4
577.13263	13.9
578.13159	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78369	0.9
54.46877	0.8
55.01817	1.1
55.78562	1.0
56.13561	0.9
56.46613	0.9
56.51608	0.8
68.99696	6.3
70.06510	1.0
81.03329	2.7
85.02837	1.8
86.09609	1.3
95.04924	1.5
97.02824	1.2
107.04880	4.9
109.02805	5.8
111.00737	6.2
111.04375	4.3
120.08018	1.4
123.04380	29.3
127.03867	100.0
135.04376	27.9
137.02289	1.6
139.03868	71.8
147.04367	9.5
149.02286	5.7
151.03886	17.3
159.04355	1.7
161.05983	4.7
163.03854	28.2
165.05469	2.5
167.03340	10.8
169.06438	1.8
171.04326	1.3
173.05927	1.9
175.03870	8.3
177.05435	7.3
179.03307	11.1
185.05901	1.2
187.03824	4.9
189.05388	2.0
191.03337	15.3
193.04979	2.3
197.05971	1.2
199.03749	1.1
201.05486	7.8
203.03366	13.7
205.04871	2.4
208.53366	1.1
213.05396	2.4
215.07190	1.1
217.05054	2.2
225.05420	1.2
229.04987	8.9
233.04393	4.8
243.06496	2.6
245.04468	9.7
247.05975	13.8
251.05261	1.4
255.06468	2.0
257.04343	13.2
259.05930	5.3
263.05530	1.5
269.04483	1.3
271.06003	10.9
275.05460	10.1
283.05853	2.8
287.05457	23.4
289.07037	6.5
299.05347	8.2
299.72928	1.3
301.07043	6.3
305.06421	1.9
307.07968	1.8
317.06171	3.4
409.09183	9.6
425.08252	6.7
427.09985	1.9
443.09595	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	595.1442
Annotation	CHEBI:75667
Peak:m/z	Relative Intensity
52.93065	0.7
53.00241	1.0
55.01801	3.2
57.03374	0.8
62.98752	0.9
65.03844	1.0
67.01775	1.2
67.05427	1.4
68.99710	7.7
70.06484	1.4
79.05426	0.9
80.00306	0.7
81.03317	3.6
85.02825	1.1
85.11633	0.8
95.04884	1.9
107.04900	5.4
109.02820	4.1
111.00739	5.5
111.04366	3.6
117.03318	1.1
118.06435	1.4
121.02821	1.7
123.03473	1.4
123.04372	39.0
127.03869	97.9
128.04178	1.8
131.04903	2.1
132.08035	0.9
133.02838	1.1
135.04376	45.5
137.02283	6.5
139.03868	100.0
141.06958	1.1
143.04834	1.0
144.08122	2.0
145.06438	1.1
146.05997	13.7
147.04352	1.4
149.02299	7.4
149.05911	1.8
151.03879	15.6
153.01790	1.1
155.04982	1.3
159.04385	5.5
161.05968	3.6
163.03856	48.2
164.04361	1.0
165.05426	3.5
167.03352	12.0
169.05009	1.1
169.06454	3.1
173.05914	5.0
175.03813	6.5
175.07576	1.1
177.05424	6.3
179.03366	6.5
181.04933	1.6
185.05904	1.9
187.03897	9.1
188.07011	13.8
189.05386	3.2
191.03333	17.4
193.04929	7.0
197.05956	3.9
201.05428	10.9
203.03368	12.4
203.07062	3.1
205.04939	6.1
205.09711	1.6
213.05418	3.7
215.03461	1.3
215.06915	1.4
217.04993	1.6
225.05414	1.1
227.06834	1.0
229.04852	14.3
230.05417	0.9
231.06476	1.8
233.04337	9.0
241.04939	3.8
243.06468	4.6
245.04395	10.1
247.05939	34.5
248.06209	1.6
249.13525	1.0
251.05414	3.9
255.06383	1.2
257.04388	15.7
257.34210	0.9
258.04968	1.3
259.05963	8.7
269.04205	1.5
271.05899	15.7
275.05405	13.9
283.05893	8.3
287.05438	18.4
288.05679	1.7
289.06937	11.1
299.05402	2.1
301.06973	13.0
307.08038	5.9
372.86835	0.9
407.07367	1.6
409.09116	11.1
421.82907	0.9
425.08505	4.8
427.10175	7.2
443.09448	3.4
595.19617	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	595.1657
Annotation	kaempferol-7-O-neohesperidoside
Peak:m/z	Relative Intensity
50.58438	0.0
53.00243	0.1
53.03882	0.3
53.77241	0.0
54.11811	0.0
55.01807	0.3
55.05456	0.1
57.03371	2.2
59.04919	0.1
59.85984	0.0
61.02857	0.8
65.03854	0.1
67.01783	0.0
68.99692	0.4
69.03347	1.6
70.06515	0.5
71.01268	0.1
71.04907	11.2
71.12276	0.0
72.05228	0.0
72.08058	0.3
73.02831	0.6
74.09648	0.1
75.04395	0.4
79.05398	0.1
80.75859	0.0
81.03339	0.9
81.06982	0.1
82.86341	0.1
83.01204	0.0
83.04892	0.6
84.04420	0.3
84.08065	0.2
85.02824	16.3
86.03132	0.1
86.09617	0.4
87.04377	0.5
91.03874	0.2
95.04871	0.1
97.02220	0.1
97.02824	1.8
99.04395	0.4
104.90908	0.1
105.03333	0.3
107.04887	0.4
109.02846	0.8
110.07110	0.1
111.00751	0.7
111.04379	0.4
114.37323	0.1
115.03934	0.1
120.08088	0.1
121.02805	2.8
121.06464	0.1
123.26235	0.1
127.03870	0.9
129.05438	1.6
129.10170	0.2
131.04874	0.0
133.02837	0.6
135.04318	0.1
136.07536	0.1
137.02307	0.6
137.05937	0.1
141.06955	0.1
145.04944	0.6
145.06418	0.2
147.04395	0.6
147.06514	0.3
153.01794	3.3
157.06453	0.3
159.09102	0.1
161.05962	0.1
165.01802	1.9
171.04308	0.1
175.03705	0.3
177.12714	0.2
183.02863	1.2
185.05914	0.5
189.05444	0.1
197.06128	0.1
203.07060	0.1
203.41669	0.1
213.05443	1.2
213.07440	0.1
231.06474	1.0
235.16893	0.2
241.04893	0.9
243.06476	0.1
253.17955	0.3
258.05154	1.1
259.05948	0.6
263.05557	0.1
269.04318	0.3
287.05438	100.0
288.05746	3.2
449.10568	0.4
595.21393	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
68.22141	0.5
74.02311	0.6
78.95116	0.6
84.04478	0.7
86.09642	1.1
87.74669	0.5
106.22785	0.6
107.04874	1.0
117.06930	1.0
118.06491	23.2
123.04368	3.1
127.03876	6.6
130.06511	3.7
132.08032	7.5
135.04419	1.1
135.08054	0.8
139.03888	4.8
142.06529	1.2
143.07274	2.8
144.08064	19.7
145.06445	0.6
145.19908	0.6
146.05981	91.6
147.06300	0.9
149.02306	1.3
151.03893	0.8
159.09160	9.0
160.07501	1.1
163.03870	1.1
163.07494	0.8
170.05923	7.0
188.07021	100.0
189.07462	0.9
203.14729	0.6
205.09683	23.5
245.04585	0.6
260.06967	0.6
313.28699	0.6
356.36002	0.6
366.95807	0.5
569.75970	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40664	0.3
53.00234	0.8
53.03875	0.7
55.01807	0.8
55.05194	0.6
55.05449	15.9
57.03101	0.7
57.03368	15.5
57.07005	0.7
65.03854	2.6
67.05425	57.8
68.05756	0.5
68.44622	0.3
69.06987	13.2
71.04909	0.8
71.06195	0.4
79.05408	27.7
81.03316	1.7
81.06970	42.4
83.04886	1.7
83.08540	4.3
85.06456	1.6
91.05395	14.2
93.06966	32.7
95.04903	3.8
95.08529	33.2
97.06445	2.2
97.10083	0.9
98.98396	9.8
105.06972	8.5
106.95662	0.4
107.08532	11.8
109.02813	2.0
109.06431	0.8
109.10106	11.9
111.07987	0.4
114.11990	0.4
117.06954	2.2
119.08546	5.6
121.10101	8.2
122.90823	0.5
123.08027	0.5
123.11642	2.6
125.09594	0.4
131.08504	4.8
133.10109	3.5
135.11668	3.7
145.10085	2.7
147.11621	2.1
149.13203	2.3
149.66040	0.4
153.26491	0.5
155.00981	0.8
159.11702	0.8
161.13165	0.8
173.01958	0.4
186.83618	0.5
243.20956	0.6
261.03348	0.6
261.22021	1.7
282.92844	0.5
335.25717	100.0
336.26038	3.6
406.05460	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.36
Annotation	Unknow
Peak:m/z	Relative Intensity
64.90989	4.1
65.45914	5.1
73.86268	4.6
74.04008	4.5
88.62093	4.7
103.31351	5.3
129.90381	5.4
157.62900	5.7
192.71964	5.1
287.48917	5.8
326.10153	6.2
340.51099	5.6
351.33258	5.7
595.35876	100.0
598.01013	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	595.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90244	1.6
53.71034	1.7
53.98483	1.7
55.25169	1.8
55.65248	1.6
61.42419	1.9
62.18731	1.8
67.05438	2.4
78.69851	2.0
78.94009	1.9
79.35020	1.8
84.09423	1.9
124.81628	2.0
147.96025	2.2
162.81938	2.4
185.60825	2.1
237.34877	2.1
288.70245	2.3
315.22885	10.8
329.10605	2.5
479.31253	100.0
479.38181	4.0
480.31491	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	596.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01808	25.1
55.05437	1.9
56.04947	2.7
60.04449	2.8
61.01077	2.1
61.55619	1.5
68.40203	1.6
69.03310	1.9
70.02857	2.0
70.06509	22.9
72.08060	11.0
74.00562	2.4
76.02146	2.0
81.03300	1.9
83.06020	14.4
84.03946	2.6
84.04428	55.4
84.08057	15.1
85.02796	4.6
86.09628	28.5
88.03932	2.3
91.05419	2.7
97.02861	2.5
99.02599	2.5
99.05493	2.2
102.05457	2.8
107.04874	3.4
110.07111	9.6
111.04368	4.6
112.03909	24.8
116.07039	2.8
120.08019	2.5
123.04378	17.6
124.04757	3.4
127.02086	24.9
127.03858	4.1
129.06551	17.1
129.10197	7.7
130.04962	80.2
131.04924	3.2
135.02602	12.2
135.04324	2.1
136.07541	4.1
137.05873	3.1
139.03871	100.0
146.05913	2.0
147.04463	3.3
151.03879	9.8
153.06535	2.0
155.01596	39.0
161.05888	2.0
163.02098	18.2
163.03870	28.3
163.07466	2.1
165.05426	2.1
169.04942	2.9
175.02141	3.2
179.01561	31.6
179.03069	3.0
181.03185	4.5
183.01060	61.6
189.00070	3.0
191.01466	16.0
203.01596	6.7
203.03355	2.4
209.02629	17.4
226.05292	3.2
236.03575	2.3
237.02162	2.4
282.04239	9.2
287.05396	3.9
288.18710	1.9
303.03186	22.8
312.05191	14.0
317.12207	17.6
329.04266	2.9
329.07959	55.2
346.06940	2.1
354.37006	2.0
383.08850	11.8
398.02374	2.0
440.10544	2.4
449.09891	2.1
458.12189	41.3
489.77362	2.0
503.10794	3.3
521.12122	10.5
596.15570	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	596.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45620	0.5
51.02332	0.5
53.03883	0.9
55.01813	0.9
55.05432	1.0
56.04981	0.9
56.96514	0.5
61.02845	1.1
67.05416	0.7
68.99712	0.9
69.03341	3.2
69.06986	0.8
70.06507	16.7
71.04902	1.1
71.06818	0.5
71.86626	0.5
72.08060	6.8
74.06001	1.0
74.87933	0.5
77.03836	0.9
78.04628	1.1
79.05405	2.5
81.03326	0.8
81.06980	1.3
83.06035	0.6
84.04408	4.2
84.08070	8.9
85.02820	7.4
86.09624	7.9
88.03911	0.6
90.04599	0.7
91.05391	7.2
93.06971	1.0
95.04879	6.7
95.08508	0.7
97.02813	1.3
102.05464	0.9
103.05405	8.0
104.06206	6.0
105.03337	1.2
105.06973	20.2
106.04139	0.6
107.04886	2.4
107.08524	1.0
110.07088	4.4
110.20993	0.5
115.05404	7.9
115.08636	0.6
117.03323	2.4
118.04115	3.5
119.04914	4.1
120.08046	4.3
121.06460	2.5
123.04380	11.3
129.10219	4.0
130.04086	1.0
131.04890	44.5
132.05676	63.6
133.02824	11.9
133.06467	19.2
135.04362	2.2
136.07545	2.6
137.05925	4.3
143.04897	0.7
143.05994	1.1
145.10060	1.1
146.03601	3.5
147.04391	4.8
148.01614	0.8
148.05139	2.2
149.02328	1.0
149.05936	6.4
151.03941	4.4
151.07491	2.2
154.06291	0.7
159.04416	0.7
160.05167	24.3
161.02332	8.7
161.05945	56.9
162.03098	0.8
162.06618	4.3
163.03896	4.6
163.07494	0.9
164.04692	0.6
165.01878	1.0
165.05434	6.8
167.06998	7.5
175.07483	6.4
176.04668	1.3
177.05418	12.7
178.06187	3.0
179.03380	9.0
179.07004	3.2
180.07803	7.7
181.08508	2.9
182.09312	3.4
183.15034	0.5
189.01698	0.6
189.09087	0.6
191.03337	2.2
191.06989	7.0
192.07771	39.1
193.04971	2.1
193.08385	3.7
201.16431	0.7
205.04849	0.8
207.02853	18.5
208.03474	0.8
209.04466	3.1
209.08104	1.1
210.08893	2.4
211.09775	0.7
219.02884	0.7
219.17390	1.1
221.04396	3.1
223.05817	0.9
233.04379	2.2
256.16937	0.9
263.05447	2.7
264.04150	0.8
278.05695	0.8
279.06616	0.7
280.78922	0.6
281.04233	0.8
307.05804	2.1
321.07468	2.2
339.08417	2.2
349.06949	0.9
352.05829	0.7
367.08072	44.7
368.08582	3.9
387.10660	4.6
399.10550	11.6
417.11694	100.0
418.11966	5.8
595.30634	0.9
596.22101	0.7
596.30878	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	596.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27050	0.4
54.70056	0.3
65.69214	0.3
69.55294	0.3
70.06487	0.5
84.08054	0.6
86.09650	0.4
92.10234	0.7
92.10762	1.4
98.30345	0.4
112.03658	1.5
138.36752	0.4
138.64513	0.5
156.23141	0.4
167.38330	0.4
173.03094	0.4
224.08929	1.8
242.09927	24.4
280.18668	0.4
374.14096	0.4
377.14078	100.0
378.14417	4.2
596.23840	0.6
620.39520	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02442	0.2
53.03875	0.3
55.01796	0.4
57.03134	0.3
57.03370	4.4
61.02843	1.1
69.03351	3.3
70.06497	0.5
70.84547	0.2
71.04898	0.3
75.04383	1.3
78.38248	0.2
81.03339	2.1
85.02819	9.1
86.09630	0.3
91.05381	0.5
92.10810	0.3
95.04887	0.5
97.02823	2.7
99.04373	1.1
102.04598	1.2
103.05399	30.4
105.06968	4.0
109.02800	1.1
115.05384	0.5
117.05419	0.3
117.90309	0.2
123.04343	0.2
127.03844	2.0
129.06935	0.3
129.10182	0.3
130.04108	4.4
131.04886	100.0
132.05208	1.7
133.06439	4.6
137.05931	1.9
138.06741	0.5
144.08038	1.4
145.04935	0.5
145.06441	0.9
147.04387	1.2
147.08046	0.3
148.05162	50.3
149.05554	1.1
150.06749	0.3
157.06442	0.9
159.07983	0.3
160.05171	1.3
161.05923	6.9
162.06717	4.6
163.07498	42.9
164.07819	1.1
165.09067	1.3
166.06200	0.4
173.09491	0.3
175.07507	1.7
181.08571	0.4
201.09119	1.1
204.07776	0.3
205.08623	0.4
217.09764	0.3
219.10141	1.4
237.11154	20.6
238.11478	0.3
245.45027	0.3
255.12080	0.5
399.16440	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	596.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44572	2.4
55.01808	3.4
55.05444	14.5
56.04964	5.9
56.96511	9.5
57.03352	3.4
60.04442	5.2
61.02842	3.6
67.05420	24.2
69.03342	62.7
69.06979	15.3
70.06501	73.6
71.04893	13.5
72.08054	27.5
73.02817	2.8
74.05980	4.0
79.05399	14.5
81.03301	3.4
81.06967	86.0
83.04900	13.0
84.04423	19.6
84.08054	50.7
85.02811	37.9
86.09608	49.4
88.03929	5.2
91.05393	24.8
93.06965	27.4
95.04916	6.7
95.08519	52.4
97.02811	18.3
97.06459	2.5
97.10111	6.2
102.05464	4.8
103.05380	3.5
105.06972	36.8
107.08522	21.9
109.02830	4.0
109.06429	11.0
109.10092	22.6
110.07101	28.7
110.09035	2.5
111.08092	2.6
113.02291	5.4
114.37238	2.9
115.03876	63.1
115.05367	2.6
117.06957	5.3
118.67705	2.5
119.04891	5.1
119.08513	41.2
120.08028	21.9
121.10094	15.4
123.07994	3.2
123.11647	100.0
124.42706	3.3
125.05911	4.3
127.07517	2.7
129.05417	31.5
129.10182	22.6
131.04921	2.9
131.08516	25.1
133.10088	30.1
135.11639	18.0
136.07545	10.9
137.05931	16.1
141.10153	2.9
141.12646	5.9
143.07028	3.3
143.08574	5.1
143.10670	4.2
145.04971	4.4
145.10069	30.2
147.11639	47.9
149.13167	5.3
155.06990	5.1
156.07608	3.8
159.11673	20.8
161.05948	3.8
161.13206	37.5
163.07393	3.5
163.11084	4.2
165.12700	18.1
171.11626	11.1
173.13223	34.5
177.12656	4.1
185.06032	3.3
189.12730	13.9
191.03409	3.3
201.12663	14.3
207.13676	21.8
219.13806	30.7
219.17345	3.4
225.14781	68.6
237.14790	67.5
255.15845	64.4
287.05402	15.6
288.05756	17.0
319.54373	2.6
354.16672	4.0
364.51578	2.9
369.09634	4.2
504.24487	4.0
536.23297	11.0
566.24860	10.8
596.18530	3.7
596.26953	69.6
597.22797	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	596.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11853	5.2
57.07010	43.2
66.26994	5.8
71.08536	28.3
72.67808	5.3
73.06467	6.0
83.08512	6.9
85.10100	14.1
89.05956	100.0
92.10957	11.1
103.18024	5.2
115.87272	5.4
133.08542	30.9
143.51799	5.1
175.72983	5.9
177.11153	13.5
438.76102	7.4
440.46701	6.1
579.48077	26.9
596.43451	66.4
597.44073	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	597.3033
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.03890	1.0
54.89635	0.4
55.01801	1.0
55.05186	1.0
55.05452	30.6
56.05790	0.5
57.03374	17.4
57.07006	3.4
65.03870	1.8
65.04181	0.5
67.05426	48.6
68.05759	0.6
69.06985	32.5
71.04906	1.2
71.08542	0.6
77.21934	0.5
79.05405	13.5
79.05848	0.5
81.03350	0.8
81.06974	52.1
83.04935	0.7
83.08542	14.0
85.06477	0.8
86.16831	0.6
91.05406	9.8
93.06967	11.7
95.04886	0.7
95.08532	39.7
96.08874	0.6
97.06456	3.0
97.10098	6.0
98.98399	10.9
100.50674	0.5
105.06984	6.1
107.08532	7.1
109.02835	1.0
109.06476	0.7
109.10101	11.7
111.08022	0.9
118.94202	0.5
119.08494	5.0
121.10101	4.4
123.11694	4.5
125.09615	0.7
133.10114	4.2
135.11673	3.1
137.13220	0.7
147.11691	2.5
149.13194	1.1
155.01012	2.4
161.13237	0.7
163.14796	0.9
166.38731	0.5
171.93471	0.5
175.14816	1.1
176.18137	0.5
177.62959	0.5
179.29373	0.5
263.23654	1.9
276.32117	0.6
297.66873	0.6
337.27292	100.0
338.27753	6.6
600.07819	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03876	1.5
55.01810	2.1
55.05453	1.8
56.04962	2.3
57.03360	1.5
60.04442	2.4
61.02866	1.3
62.68721	0.8
63.02859	1.0
67.05425	1.0
69.03342	6.1
70.06505	34.9
70.06869	1.4
72.08060	14.8
74.05977	1.7
79.05389	7.4
81.02897	1.5
81.03330	22.5
81.06969	2.3
83.05987	1.4
84.04411	9.9
84.08061	19.9
85.02819	20.8
86.09612	21.5
87.04388	1.0
91.05396	5.8
93.06944	1.5
95.04881	4.7
95.12074	1.1
96.51917	1.0
97.02802	7.1
99.64844	1.0
101.07064	1.1
102.05455	2.2
103.05408	4.3
104.07030	1.5
105.06966	7.7
106.04137	1.4
107.04884	15.3
109.02812	2.4
109.06470	1.7
110.07101	11.1
115.05393	10.2
116.06184	1.3
117.06963	27.1
120.08035	9.0
121.06446	1.5
123.04340	6.3
124.05146	5.0
125.05943	1.6
126.05435	1.0
127.03859	5.0
128.06175	2.4
129.06982	4.1
129.10202	10.1
130.04089	1.2
131.04866	4.4
131.08505	6.7
133.06448	5.9
136.07512	3.8
137.05923	4.1
141.06934	1.8
144.05661	5.5
145.04807	2.1
145.06445	70.8
145.07602	2.3
147.07970	2.1
149.05890	1.6
151.03902	1.5
153.05394	1.8
155.06018	6.5
156.05658	10.4
157.06467	4.0
159.07971	12.4
159.09117	1.4
160.05145	1.4
161.05954	12.5
167.06981	81.2
167.68562	1.1
173.05927	98.7
173.12766	1.1
175.07454	2.2
177.05403	1.3
180.08614	4.4
181.04881	1.6
184.05217	4.5
187.07472	11.1
190.06190	62.3
191.06915	2.5
193.08525	2.5
202.06223	8.0
203.06964	11.6
205.08551	100.0
217.08539	54.2
219.08081	2.0
219.10130	5.0
233.07877	1.5
235.09546	22.3
247.07384	1.5
247.09586	8.9
248.08272	2.4
261.08841	1.7
263.10809	1.4
264.07788	5.3
265.10645	30.6
269.07813	1.8
271.09607	1.7
276.07819	1.1
279.06201	1.4
279.09845	1.9
282.08813	1.2
291.10117	2.4
293.07974	2.0
299.09073	1.5
307.09644	1.6
315.08426	7.5
323.12592	4.1
330.10855	5.8
331.11755	2.0
351.12128	2.1
370.09970	1.5
371.14899	1.7
383.14642	10.8
401.15762	14.2
415.09906	1.2
448.72742	1.2
598.32172	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78755	0.1
64.33707	0.1
74.02351	0.8
91.05370	0.4
115.05376	0.8
116.98539	0.2
117.05666	0.7
117.06960	1.6
118.06477	23.1
119.06812	0.3
130.06488	2.1
132.08046	7.3
134.72321	0.2
142.06500	2.8
143.07274	2.5
143.65793	0.2
144.04446	0.4
144.08046	17.4
145.08459	0.2
146.05971	87.2
147.06299	2.5
159.09128	8.0
160.07526	1.0
170.05954	5.8
170.07393	0.2
188.07010	100.0
189.07343	3.4
205.09668	26.1
206.10068	0.8
314.01535	0.2
613.04462	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03673	0.4
50.32192	0.4
54.55664	0.4
55.05443	0.5
55.23524	0.5
60.01857	0.5
62.04830	0.4
64.33545	0.6
69.06972	0.5
69.27985	0.5
70.06515	4.7
72.08064	0.9
74.05989	0.6
75.81721	0.5
81.03293	0.6
81.06966	0.5
83.05573	0.5
84.04405	2.2
84.08073	4.7
85.02835	0.5
86.09621	31.1
88.03896	1.2
90.25662	0.5
91.05395	2.8
93.06973	1.3
103.05400	5.6
107.83602	0.5
110.07135	0.8
120.08051	100.0
121.08372	2.3
129.10181	0.9
131.04861	0.8
132.08037	1.1
137.05966	0.9
143.11765	15.3
151.03949	0.6
166.08601	3.8
167.07034	2.3
171.11269	4.3
172.07491	0.8
175.08673	0.9
189.06544	0.6
200.06883	0.7
217.09627	2.5
235.10727	3.5
245.16212	0.7
246.07590	0.7
263.10086	5.6
264.49216	0.5
273.16055	0.9
281.11252	2.4
297.04388	0.6
318.18066	2.6
428.17926	3.1
433.20761	1.4
449.99023	0.6
457.11554	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	12.1
55.01816	20.1
55.05439	4.3
57.03359	3.8
57.07011	56.1
67.05434	18.4
69.03339	36.7
69.06967	12.7
69.35210	1.6
71.04888	11.7
71.08549	27.8
73.02822	10.2
81.03333	43.3
81.06976	21.5
83.04834	1.7
83.08537	13.5
85.02837	19.2
85.10096	13.6
95.08527	28.2
97.02815	44.2
97.10080	7.4
99.04379	80.7
109.02827	54.8
109.10103	12.5
114.69206	1.7
123.11712	2.1
127.03868	100.0
145.04929	8.6
239.23665	11.4
335.25723	6.1
383.27823	27.7
401.28912	56.4
469.13242	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	4.6
55.01799	9.6
55.05451	9.3
57.03360	11.1
57.06741	2.5
57.07010	60.4
61.02845	4.2
67.05417	15.8
69.03004	3.9
69.03349	68.8
69.06979	10.3
71.04916	2.7
71.08548	42.2
73.02808	3.3
81.03349	42.9
81.06979	22.4
83.08524	13.9
85.02831	100.0
85.10089	15.0
89.05917	2.3
95.08547	32.9
97.02822	47.7
97.10075	4.7
98.79229	2.7
99.04387	13.0
109.02847	25.5
109.10124	19.6
123.11666	3.5
127.03873	65.3
145.04961	19.5
228.42467	2.5
239.23601	27.3
293.89996	2.5
383.27832	39.1
394.92017	2.5
401.28888	73.9
402.29108	5.6
424.75116	2.9
467.69681	2.9
533.60443	3.0
567.82330	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	598.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00240	1.9
55.05448	6.0
57.07008	47.1
61.88412	1.5
61.88728	1.4
62.49823	1.6
65.93179	1.4
69.06983	7.8
71.08538	33.4
73.06463	9.3
83.08537	2.9
85.10098	19.1
87.04417	7.1
89.05945	100.0
92.10254	4.5
97.10108	2.9
106.73511	1.8
107.06998	3.5
124.43778	1.6
133.08562	30.7
152.33131	1.8
177.11188	10.7
221.13823	1.9
225.84369	1.8
299.29312	6.4
316.68869	2.1
371.22668	6.3
453.80862	1.9
460.35104	1.7
464.03549	1.7
581.46124	17.1
598.47986	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	599.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	0.5
55.01804	1.5
57.03367	0.8
58.41603	0.3
60.04467	0.3
69.03344	1.0
70.06510	3.3
72.08057	0.6
73.02816	0.3
74.05975	0.3
76.42258	0.2
79.05402	1.2
81.03336	0.6
81.06960	0.3
84.04414	0.6
84.08058	1.5
85.02821	2.4
86.09640	1.4
91.05398	1.9
93.06954	0.3
95.01240	0.3
95.04887	1.6
97.02827	1.2
103.03883	0.4
103.05408	3.7
104.05729	0.3
105.03307	0.4
105.06956	1.2
107.04897	100.0
108.05228	2.6
109.02830	0.4
110.07102	0.3
115.05392	0.6
119.04907	2.3
120.05173	0.4
120.08059	1.1
121.02831	1.6
121.06473	0.6
123.04417	0.4
127.03902	0.4
129.07011	0.3
129.10201	0.9
131.04893	7.5
132.05223	1.6
133.02827	1.2
133.06441	1.1
134.42665	0.2
135.04364	1.6
135.07945	0.2
137.05965	3.1
138.06355	1.1
139.03842	0.5
141.06982	0.3
147.04370	3.1
149.02361	0.3
149.05946	2.4
150.03104	0.5
151.03847	1.4
151.07477	0.4
157.06480	0.3
159.04424	1.0
161.02254	0.4
161.05919	1.9
162.03072	0.6
162.06717	1.1
163.03889	2.5
163.07506	6.9
164.07857	2.0
170.88808	0.2
171.04388	1.1
173.05983	1.3
175.03856	2.3
177.05443	2.0
179.03297	0.3
179.06995	1.0
181.04907	1.5
185.05966	0.4
187.03951	1.7
189.05452	1.1
190.02580	1.0
191.03365	1.1
191.07060	0.3
193.04915	4.0
195.06470	0.3
199.03877	0.5
201.05461	1.4
203.07002	0.4
205.04901	4.0
205.06647	0.3
207.02875	0.9
207.06482	0.3
208.03622	1.2
209.05965	0.2
211.07591	0.3
213.05463	0.6
215.03217	0.3
215.06953	0.3
217.04906	4.7
218.40161	0.3
219.03004	0.4
219.06404	2.1
221.04362	3.0
223.05968	9.8
223.08098	0.4
224.06276	2.4
225.05415	0.5
227.03362	0.3
227.07085	0.4
229.04961	2.2
231.06395	2.3
233.04202	0.3
235.06006	3.4
239.07021	0.4
241.04858	1.1
241.08597	0.3
243.06529	1.7
245.04404	0.5
247.05981	4.8
247.08403	0.4
249.07603	0.3
253.04901	0.4
255.06523	1.0
259.05942	6.4
260.06335	0.3
271.05923	2.9
273.07401	0.4
277.07080	1.6
279.06439	0.4
281.55853	0.3
283.05884	1.7
285.07550	1.2
287.09119	0.4
289.06970	2.7
297.07571	0.6
299.05713	0.3
299.09134	1.3
301.07059	3.1
309.07379	0.3
311.09155	1.3
313.07004	2.7
317.10205	0.3
323.09042	0.3
325.07098	1.6
327.08435	0.4
329.10068	1.2
341.10043	1.7
351.08386	1.0
352.08911	1.1
353.10129	3.3
354.09766	0.3
355.08206	0.3
365.10126	2.8
377.10184	1.2
383.11249	3.2
384.11386	0.4
386.12912	0.5
389.10223	0.4
395.11151	4.3
407.11087	3.8
413.12103	1.6
419.11206	2.3
425.12326	1.6
431.13300	5.3
433.25519	0.3
443.13232	2.2
449.12247	2.7
461.13058	2.3
467.13260	1.7
479.13184	1.6
485.14279	2.5
491.13315	1.2
497.14484	2.9
509.14294	1.5
527.15234	1.2
545.16339	1.3
563.17621	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3186
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
53.00235	0.9
53.03878	1.2
55.05186	1.5
55.05449	37.4
56.05763	0.9
57.03099	1.1
57.03372	19.3
57.07010	15.9
61.43778	0.7
67.05424	24.4
69.06603	1.6
69.06985	44.9
71.04906	1.5
71.08546	8.0
73.06449	0.8
79.05405	12.3
81.03330	1.2
81.06973	24.2
83.04890	1.3
83.08047	1.0
83.08536	28.1
85.06467	0.8
85.10100	2.9
91.05399	0.8
92.10257	0.9
93.06959	14.9
95.08527	29.1
97.06454	4.7
97.10084	14.8
98.98390	11.6
100.41804	0.7
107.08521	9.3
108.93143	0.9
109.02780	0.8
109.10104	10.6
110.81245	0.8
111.08032	1.9
111.11689	3.8
114.60496	0.8
121.10095	11.9
123.11632	1.6
125.09592	1.0
135.11656	8.4
141.12735	0.9
149.13226	4.4
155.01044	5.1
181.82076	0.8
205.61163	0.9
229.72815	1.0
252.20718	1.0
265.25131	1.2
339.28864	100.0
340.29184	5.6
367.77316	0.8
432.27060	0.8
457.65353	0.9
613.60486	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02308	0.1
57.07004	0.4
58.02888	0.1
61.58913	0.1
65.03855	0.1
66.04630	0.2
67.05424	0.2
69.06994	0.8
70.71386	0.1
71.08532	0.5
77.08521	0.1
79.05398	0.5
81.06981	0.5
83.08567	0.1
84.08092	0.1
91.05413	0.5
93.06973	0.1
94.04108	1.5
95.08536	0.1
97.06450	0.1
103.16601	0.1
107.04916	0.1
107.08530	0.4
109.06482	0.1
109.10078	0.5
114.09101	0.1
122.03596	5.7
126.09126	0.1
133.10088	0.4
135.11647	0.4
137.05951	100.0
138.06291	1.6
141.12737	0.6
151.11212	0.1
153.12750	0.3
158.15379	0.6
170.15347	0.9
182.15364	1.4
225.22333	0.1
294.20581	1.4
306.20569	2.9
502.71320	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	600.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88483	0.1
52.41327	0.1
53.03879	0.2
57.03372	0.2
57.67600	0.1
57.98392	0.1
69.03349	0.2
70.04580	0.1
77.68683	0.1
79.05401	0.3
79.40701	0.1
85.02814	0.6
86.09629	0.3
91.05403	0.3
93.06951	1.1
97.02807	0.3
98.97516	0.2
103.05405	4.8
107.04893	1.7
120.08058	100.0
121.08408	1.6
130.15273	0.1
131.04890	2.6
141.10254	0.3
149.05978	1.5
166.08597	24.0
167.08975	0.3
167.17520	0.2
177.00714	0.2
180.85902	0.1
377.93326	0.2
415.18698	0.2
516.98877	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27034	0.7
53.03890	0.7
55.01799	1.1
55.05452	9.2
56.04957	0.9
58.99499	3.0
64.40865	0.7
65.03851	0.8
67.05429	19.4
69.03346	0.9
69.06998	6.3
70.06494	0.8
71.04886	1.3
74.00578	5.9
76.02126	3.2
78.11540	0.7
79.05403	16.4
80.04924	4.5
81.06503	1.4
81.06971	38.6
82.06490	1.3
83.04893	1.9
83.06017	1.9
83.08532	4.6
84.04421	12.7
85.01037	1.6
85.06477	1.0
86.00571	1.7
91.05404	14.0
93.06964	13.2
94.06493	1.4
95.04889	7.4
95.08537	20.0
97.01032	1.7
97.06456	1.7
99.01336	7.4
99.05496	1.0
100.02137	14.1
105.06969	11.4
106.06496	2.9
107.04885	3.6
107.08546	11.3
109.05840	0.7
109.06467	7.4
109.10101	4.3
111.02573	1.1
111.08000	0.9
112.02129	19.7
113.02919	2.9
114.03691	11.4
116.01617	4.5
117.06960	4.9
119.07227	0.7
119.08540	9.6
120.08051	1.0
121.06410	1.6
121.10098	5.4
122.09612	0.7
123.02596	1.3
123.08030	1.8
123.11628	1.2
125.04166	2.8
126.03680	5.5
129.06598	1.7
130.04994	2.5
131.08537	6.1
133.10103	8.0
134.09627	1.0
135.02550	0.9
135.08035	1.3
135.11607	1.1
136.03918	1.0
137.09587	1.2
138.03674	4.8
139.03214	1.1
140.05270	15.1
143.08455	1.0
145.10088	4.8
147.11639	5.9
149.09676	1.3
149.13254	3.3
151.11174	0.9
152.05240	5.8
154.06837	3.7
159.11697	2.6
161.09566	0.9
161.13185	1.0
162.02136	1.5
163.11127	1.4
165.12688	1.2
166.06825	3.6
168.08386	30.9
169.08690	0.9
173.13219	3.6
179.04848	1.0
181.06035	1.0
185.03741	3.9
187.05403	1.1
193.06752	0.8
202.04189	2.2
207.13780	1.2
209.15381	1.8
216.05612	5.1
231.04219	5.5
233.05865	1.0
235.15959	0.8
236.14642	3.1
236.16626	0.9
241.06432	1.3
255.07916	4.3
256.13437	0.9
264.14105	13.0
269.09412	1.5
270.10248	8.4
271.11118	1.1
275.19919	6.5
281.14380	3.3
282.15155	57.2
283.15372	1.3
293.21130	0.9
308.08841	1.0
323.15982	1.8
333.18671	1.3
339.17374	1.0
340.13602	0.8
350.21356	8.6
368.22412	11.0
384.17047	13.4
385.17688	2.7
453.24069	100.0
454.24292	5.0
525.26007	4.7
540.82813	0.8
582.27606	1.3
600.29340	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	600.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00256	0.4
53.03880	0.5
55.01806	1.7
55.05446	5.9
56.04963	1.0
57.03361	0.6
57.07006	0.7
57.98736	0.6
57.99003	0.3
58.99218	0.8
58.99514	19.9
59.24006	0.3
61.01082	0.4
62.25705	0.4
65.03839	0.5
66.06557	0.3
67.05426	13.0
69.03342	0.7
69.06647	0.6
69.06981	9.7
70.06490	0.8
71.04900	0.9
72.08053	0.4
73.01063	0.5
75.24455	0.3
76.02136	100.0
76.03897	3.9
78.03697	0.5
79.05406	10.6
80.04919	0.7
81.06969	17.5
83.04897	3.5
83.06020	2.7
83.08540	2.0
84.04424	20.7
84.08051	0.6
85.06464	0.6
86.09634	0.6
86.98961	5.6
88.02135	2.4
91.05401	11.1
91.14787	0.4
92.91460	0.4
93.06964	14.5
95.04868	4.0
95.08524	11.3
95.09079	0.7
97.01056	0.8
97.06467	2.3
97.10121	0.7
99.05502	0.6
102.05476	0.7
103.05396	0.5
105.06965	13.4
107.04903	4.4
107.08529	9.0
109.06461	6.2
109.10101	4.5
111.08016	0.5
114.03706	0.8
116.01617	33.4
117.06947	3.5
119.08527	8.8
121.06448	6.8
121.10080	5.2
123.08013	2.9
123.11656	0.7
124.02142	0.5
129.06610	2.0
130.04945	6.0
131.08525	8.9
133.06477	1.8
133.10085	9.5
135.05420	0.4
135.08031	2.4
135.11649	3.2
137.05919	0.5
137.09637	0.8
141.04797	0.7
142.03188	10.1
142.22044	0.4
143.08528	1.7
144.01112	16.9
145.06287	0.8
145.10091	8.6
147.08022	2.9
147.11659	6.5
149.09605	2.1
149.13254	0.9
151.11174	2.7
153.05440	0.7
153.06650	0.7
155.08499	0.5
157.10123	1.9
159.08037	1.7
159.11626	4.7
161.09607	2.4
161.13235	1.8
162.02156	42.6
163.11125	3.1
167.07077	0.4
169.10101	0.6
170.02603	4.0
171.11627	1.5
173.09645	0.9
173.13235	2.3
175.11169	1.0
175.14862	0.5
177.12714	0.5
179.04805	58.5
180.05185	0.5
183.11626	0.7
187.05353	2.9
187.11143	0.8
189.12700	0.5
191.14240	0.7
197.13333	0.7
199.14700	0.4
201.12753	0.8
207.13747	2.9
209.04451	2.4
215.04851	1.9
215.18008	0.9
216.03221	0.4
217.15787	0.5
219.13754	0.9
229.19463	0.6
233.05835	10.3
239.17976	0.9
245.05872	3.6
245.18930	0.7
247.20557	1.5
257.18839	4.6
269.12595	0.8
273.18387	4.8
275.19986	28.2
290.07941	0.5
291.06622	0.5
291.19611	2.8
293.21024	11.8
308.09033	20.7
333.18991	0.5
368.22513	6.7
453.23929	4.5
471.25003	1.4
525.26013	2.7
600.20728	0.7
600.29407	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	600.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80146	0.7
53.03871	1.0
55.05457	8.2
55.05672	1.1
57.03373	12.3
57.94242	1.0
59.04924	1.0
67.05408	1.3
69.03325	3.9
69.06984	8.6
70.06504	4.3
71.04904	79.8
72.08047	1.2
73.02823	4.3
75.04382	5.0
76.02110	1.7
81.06972	1.3
83.04910	11.0
83.08522	5.0
84.04436	1.1
84.08067	1.6
85.02823	100.0
86.03178	1.4
86.09595	2.3
87.04390	3.9
91.05408	2.0
92.10199	1.0
93.06918	0.9
95.04889	2.0
95.08551	2.4
97.02802	6.3
97.03386	0.9
97.10092	5.0
99.04372	1.8
105.06950	1.2
107.08555	1.2
109.06448	1.0
110.09497	0.9
111.04409	7.1
120.08099	1.1
121.06434	13.9
123.11626	1.1
127.03886	2.3
129.05438	26.8
129.10167	1.8
133.10135	1.2
135.08009	1.4
135.59329	1.0
145.04860	1.2
145.06499	1.0
145.10075	1.8
147.06528	12.1
147.07924	8.7
152.32468	1.1
159.08006	6.3
161.09567	30.3
162.09917	1.1
164.09142	2.1
167.06976	4.2
173.09560	28.5
175.11150	5.0
187.11148	11.9
201.12698	6.6
215.14275	1.7
237.07722	1.3
255.08537	1.6
257.18903	29.2
258.19275	1.3
271.22601	1.3
309.11664	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18185	1.4
53.00239	2.0
54.25859	1.5
54.64836	1.4
55.01798	9.0
55.05190	2.6
55.05448	71.7
55.39002	1.4
57.03360	17.4
57.06734	1.9
57.07006	35.9
67.05076	2.8
67.05424	77.4
67.05782	2.8
68.05785	2.1
69.03344	3.8
69.06982	99.6
69.81660	1.4
71.04897	3.1
71.08533	19.3
73.02828	2.5
75.04385	2.3
76.40341	1.3
79.05396	37.7
81.03323	6.4
81.06506	3.4
81.06969	92.7
83.04878	1.9
83.08533	76.9
85.02805	3.3
85.06446	2.0
85.10111	12.6
91.05379	3.4
93.05413	1.6
93.06967	48.1
95.04858	1.8
95.08530	79.4
96.35566	1.4
97.02835	2.8
97.06474	13.2
97.10098	53.6
98.98366	2.7
99.04362	3.4
107.08543	43.4
109.02827	8.3
109.10091	42.1
110.03601	3.2
111.04377	2.4
111.08067	11.1
111.11684	12.6
115.31130	1.7
118.74499	1.7
121.10086	73.3
123.11632	14.5
125.09583	3.2
125.13252	1.8
127.03887	3.2
135.11649	52.0
137.13231	6.5
139.04330	1.5
139.11137	2.9
143.02505	1.5
149.13210	24.3
151.14813	3.8
155.00998	3.3
163.14780	8.0
165.16331	7.3
167.14253	2.2
177.16287	3.9
191.00072	3.6
191.17906	3.0
208.62849	1.7
247.24126	40.5
265.25171	90.2
266.25433	1.9
274.95642	1.8
283.26233	17.4
315.40744	1.7
317.44479	1.7
339.28888	100.0
340.29114	8.9
357.29904	44.0
565.30469	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	600.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26937	1.2
54.81883	1.5
55.01606	1.2
55.01804	17.1
55.05448	37.9
55.25100	1.2
57.03138	1.1
57.03368	19.8
57.07008	21.5
65.03863	2.6
67.05081	2.0
67.05424	57.1
69.06985	54.2
70.84921	1.4
71.04904	3.8
71.08521	7.4
79.05407	27.8
81.06504	2.5
81.06972	58.7
83.04897	52.6
83.08540	41.3
85.02814	3.7
85.06456	3.3
85.10089	2.7
87.04325	1.7
89.05955	18.7
91.05398	11.4
93.06969	46.6
95.04884	2.9
95.08526	42.2
97.06449	19.3
97.10098	20.2
99.04401	11.4
99.07990	2.5
105.06948	3.3
105.49963	1.9
107.04901	2.5
107.08525	28.5
109.10085	24.3
111.04380	100.0
111.08017	33.6
111.11656	3.2
113.93936	1.6
115.19437	1.4
117.06926	6.9
119.08531	12.0
121.06414	2.7
121.10093	36.3
123.11630	2.0
125.05914	6.6
126.23550	1.9
129.05470	2.5
131.08490	7.1
133.08549	6.8
135.07977	1.7
135.11646	39.2
145.10085	21.1
146.58916	1.8
147.11646	2.9
149.09592	8.7
149.13203	2.3
153.12715	47.2
155.08524	2.1
163.11134	48.6
173.09567	10.3
177.11172	1.6
181.12184	53.1
182.66208	1.5
191.10643	33.6
199.21774	1.5
202.21130	1.7
209.11705	1.8
227.12724	33.5
265.25101	2.2
283.15323	68.1
301.16400	35.1
339.24701	3.3
339.28848	81.3
340.29193	5.3
415.25027	3.0
547.39435	3.5
549.80219	1.6
565.40814	92.5
566.40887	9.2
600.28693	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03852	0.3
54.46804	0.3
56.55508	0.3
57.03366	1.8
58.56975	0.4
61.02865	0.5
69.03345	2.4
69.03697	0.3
70.06503	10.7
71.04900	0.4
71.06826	0.3
72.08069	2.4
73.02818	0.5
73.54300	0.3
81.03326	0.6
81.13483	0.4
83.06000	1.0
83.13416	0.3
84.04436	5.2
84.08062	4.6
85.02818	4.5
86.09620	7.4
87.88428	0.5
88.03903	0.9
91.19089	0.3
91.42020	0.4
94.37894	0.4
95.01015	2.5
97.02820	2.1
98.05951	0.5
98.97523	0.5
99.04427	0.5
101.07069	0.4
102.05515	0.8
102.27285	0.4
103.05394	12.9
105.06956	0.7
110.07121	1.9
111.04381	0.6
112.01272	0.5
112.08701	0.7
113.02096	2.1
115.08652	0.6
116.07038	1.7
116.98591	0.6
123.04416	1.0
127.03913	0.7
129.06638	0.5
129.10182	3.0
131.04884	34.8
132.05255	1.0
133.06410	0.4
136.07552	0.9
137.05966	0.7
139.03873	5.9
140.04184	0.8
141.43422	0.4
144.08055	10.6
145.08420	2.1
147.04457	0.7
148.05165	6.4
160.05139	0.5
161.05956	1.6
163.07516	9.7
169.07573	3.1
173.09349	0.5
175.07553	0.9
185.04175	3.2
185.05742	6.1
196.14429	0.8
197.12802	0.8
201.03703	0.8
203.05254	0.6
217.09792	2.0
225.12402	0.4
227.02264	0.8
237.02913	0.5
259.07742	8.8
259.10001	0.4
277.08987	0.5
313.06262	0.4
421.14536	1.8
423.16068	5.1
486.21573	0.5
601.20862	100.0
602.21234	5.4
606.23169	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3882
Annotation	3-beta-O-(E)-coumaroyl-D:C-friedooleana-7,9(11)-dien-29-oic acid
Peak:m/z	Relative Intensity
51.66168	0.4
52.60670	0.4
55.05444	1.5
57.07008	0.4
61.39838	0.4
65.03839	0.5
67.05411	1.0
69.06976	0.8
79.05388	1.0
81.06987	3.2
89.05942	0.7
91.05405	14.2
93.06980	3.7
95.04864	0.4
95.08541	4.2
105.06958	2.9
107.08540	3.0
109.10095	3.3
119.04891	34.8
119.08524	4.1
121.10108	5.0
123.11656	1.0
131.08534	1.1
133.08557	0.5
133.10094	6.1
134.10460	0.5
135.11667	1.9
140.00186	0.4
142.13840	0.5
143.08592	0.6
145.10107	2.5
147.04385	100.0
147.11667	1.7
148.04729	1.8
149.13315	0.7
159.11697	2.9
161.13274	3.7
163.14806	0.9
171.11705	1.0
173.13260	2.7
175.14792	2.1
185.13089	0.7
187.14816	2.7
188.31297	0.5
189.16364	1.1
201.16287	0.6
213.16283	0.9
215.17906	1.1
227.17915	0.5
229.19482	3.5
241.19519	0.7
245.80153	0.6
253.19353	0.7
255.21210	0.9
269.22443	0.6
391.33615	2.2
437.34225	2.0
524.40759	0.4
535.00775	0.5
601.38757	22.3
602.38977	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27486	1.8
54.38523	1.9
55.56354	1.9
57.07000	4.1
58.06524	2.2
70.06504	25.0
71.08523	2.5
72.08075	2.9
72.62279	2.1
84.08076	3.7
86.09603	3.1
88.07539	24.0
98.02792	2.3
102.09142	17.1
102.09711	2.2
124.18821	2.4
134.99702	2.6
137.05988	4.4
139.03888	2.5
149.02319	53.8
193.04892	71.8
200.20056	49.3
201.20383	3.3
237.07509	19.8
258.55371	3.0
269.04141	2.1
341.06625	8.0
359.07883	2.6
385.08981	21.1
429.11743	34.8
451.15482	2.6
602.19653	3.3
602.29382	100.0
603.29407	8.8
632.22125	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	602.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03865	0.6
55.01809	4.4
55.05445	6.8
56.04955	0.6
57.03349	0.5
57.06988	2.3
58.99506	1.7
61.01062	0.3
67.05424	12.3
69.03332	0.5
69.06978	4.8
70.06510	0.6
71.04886	0.7
71.08523	0.9
73.01022	0.5
74.00569	3.9
76.02137	2.7
76.03893	0.6
76.62526	0.4
79.05399	8.7
80.04913	1.9
81.03330	0.6
81.05698	0.8
81.06968	24.3
83.04870	2.1
83.05989	2.2
83.08538	3.6
84.04414	10.0
84.08044	0.7
85.01030	0.5
85.10095	2.8
86.00564	3.2
86.98956	0.9
87.02605	0.8
88.02106	1.4
91.05399	6.6
93.06962	12.0
94.06480	1.6
95.04890	3.0
95.08523	17.0
97.01020	0.5
97.06432	2.4
97.10062	0.8
98.09590	0.5
99.01318	2.2
99.02573	0.5
99.07991	0.6
100.02116	4.4
102.05432	0.5
105.06966	6.8
106.06455	0.6
107.04887	0.7
107.05979	0.5
107.08525	5.7
108.08064	0.4
109.06435	2.0
109.10123	4.7
110.09585	0.4
111.02606	0.9
111.08031	3.9
112.02130	3.6
113.00427	0.5
113.02937	0.5
113.09540	1.4
114.03702	9.0
115.05732	0.4
116.01613	6.1
117.06950	1.0
119.08537	4.5
120.07998	0.9
121.10082	3.9
123.07985	0.7
123.11662	1.6
124.11174	1.8
126.03664	1.9
129.06483	3.0
130.04948	1.8
131.08495	2.4
133.10080	2.8
135.08052	0.7
135.11618	1.9
136.11176	0.6
137.04118	0.6
137.12006	0.5
139.03133	0.4
142.03088	0.4
143.02716	0.7
144.01039	0.7
144.08362	0.5
145.06064	0.7
145.10069	1.9
147.11676	3.8
149.09621	0.8
149.13176	2.2
150.12770	0.5
151.11125	0.6
153.08911	0.4
153.12671	1.6
158.02612	0.5
158.09914	0.5
159.11647	0.5
161.13168	0.7
162.02164	2.2
163.11087	0.7
163.14783	1.5
164.14308	1.6
165.12735	3.9
168.08302	0.8
169.04269	0.7
169.09183	3.5
170.09935	100.0
171.10381	2.7
171.11607	0.6
173.13220	2.8
179.04810	0.7
181.06023	0.8
182.09918	0.6
183.08397	0.5
185.03755	3.8
187.05345	1.5
189.03273	0.7
191.14230	0.9
192.83916	0.4
193.10471	0.6
208.16992	0.5
209.15286	2.9
211.10706	1.4
215.04764	3.5
216.05574	3.5
226.11246	0.9
229.06526	0.5
231.04301	3.6
233.06012	0.9
249.22153	0.9
271.10889	0.7
272.11801	23.7
273.12555	2.8
273.19467	0.5
277.21533	8.0
291.17630	0.5
292.22693	0.6
294.24295	2.1
295.22559	2.1
307.20819	0.5
308.08957	0.6
309.18829	1.7
324.23370	0.7
326.21445	1.8
334.21887	1.6
335.20270	2.4
352.22934	12.2
353.21539	0.8
370.23993	8.0
380.22501	0.7
409.24979	0.7
455.25613	85.8
456.25888	4.8
509.26840	0.5
527.27563	2.7
584.29907	1.6
602.31000	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	602.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82405	2.5
53.03879	3.7
55.01800	6.5
55.05458	37.0
57.03381	2.8
67.05430	33.9
69.06985	25.6
79.05415	37.0
81.03339	6.4
81.06980	48.1
83.04910	4.3
83.08541	29.1
88.19372	3.1
89.05910	3.9
90.39632	2.9
91.05408	38.0
92.10892	6.7
93.06966	49.2
95.04886	45.2
95.08543	27.7
97.06489	6.5
97.10104	6.3
104.12014	3.4
105.06957	39.4
107.04889	18.3
107.08544	22.3
108.90183	3.3
109.06469	6.0
109.10080	7.9
111.08025	4.5
111.67194	3.4
117.06983	5.9
117.08186	3.1
119.08534	26.7
121.10107	20.3
123.08046	5.7
131.08514	20.6
133.10098	22.3
135.11642	7.0
137.62149	3.1
145.10103	24.6
147.08028	5.4
147.11671	13.4
149.09599	19.4
151.11101	4.3
155.08484	4.2
159.11632	7.0
163.11139	28.5
173.09540	5.9
187.11166	4.1
223.13257	6.1
239.17952	7.3
242.53259	3.0
257.18872	15.2
275.19983	100.0
293.21039	72.0
321.07077	2.9
354.73520	3.6
409.57837	3.4
435.56210	3.7
517.93256	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	603.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05455	1.0
56.04972	1.2
56.96512	0.5
57.03379	3.8
60.04442	1.3
65.90382	0.5
68.39758	0.6
69.03341	3.3
69.06998	0.8
70.06135	1.1
70.06506	25.3
70.06891	0.9
70.26692	0.5
71.06847	0.6
72.08059	7.9
74.02346	0.8
74.05988	2.4
75.04391	0.7
81.03328	2.0
83.06012	0.6
84.04430	7.0
84.08064	10.9
85.02826	7.2
86.09619	18.4
87.05508	0.7
88.03888	1.1
91.05385	1.1
93.06974	1.0
95.04887	0.7
95.06020	0.5
97.02811	3.1
98.05984	1.1
99.04346	0.5
101.07074	0.6
102.04607	1.9
102.05444	1.2
103.05393	35.6
104.05760	0.6
105.06946	4.1
107.04924	0.5
109.02817	0.6
110.07106	6.3
115.05374	0.8
116.98564	0.6
117.07010	0.7
119.04919	0.9
120.08053	3.1
126.05592	0.6
127.03886	1.1
127.04927	0.5
128.06215	0.7
128.98473	0.5
129.06921	2.9
129.10211	7.1
130.04102	4.6
130.04990	0.8
130.06488	8.4
131.04884	100.0
132.05202	2.0
132.08061	0.8
133.06467	4.4
136.07556	3.1
137.05934	16.0
137.06927	0.9
144.08054	80.3
145.06465	1.0
145.08449	1.9
146.05994	1.2
147.04391	0.6
148.05162	53.1
149.05716	1.2
150.01654	0.5
154.06511	2.9
154.22643	0.5
156.08044	5.3
157.06375	0.8
160.05171	2.1
161.05922	9.7
162.06702	3.7
163.07498	42.3
164.07884	0.5
167.07010	2.4
171.09088	1.2
173.10733	0.7
175.07526	1.1
180.07941	0.7
181.08531	0.6
183.14857	1.0
188.07002	1.1
200.07040	3.0
201.09076	1.0
208.07452	0.7
211.14574	0.8
217.09685	11.7
219.10077	1.1
226.08545	1.2
237.11151	14.7
251.11586	0.6
286.17441	1.1
366.16830	1.0
383.22787	4.1
422.84698	0.6
424.17432	14.5
425.17599	2.0
441.20084	17.9
442.19812	0.8
516.02350	0.6
547.63196	0.7
586.22406	2.1
603.16479	1.1
603.25159	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03878	0.4
54.81831	0.3
55.05438	1.6
57.07011	0.6
58.44939	0.3
60.19260	0.3
61.02864	0.3
67.05428	4.7
69.03336	1.3
69.06995	4.1
79.05405	2.1
81.06976	19.5
83.08503	0.4
85.02831	5.5
91.05415	0.8
93.06967	3.3
95.08525	7.1
97.02806	1.3
105.06968	0.5
107.08541	2.1
109.10109	6.9
119.08541	2.7
121.10113	2.5
122.07219	1.4
123.11635	2.5
135.11662	1.5
137.09596	11.3
137.13219	2.0
149.09601	0.5
149.13271	2.8
163.14749	1.3
165.09081	100.0
166.09402	3.0
179.10617	1.7
188.46321	0.3
189.09309	0.3
190.09805	0.5
191.17902	0.7
203.10574	0.4
205.12207	6.6
205.19482	0.7
233.15306	0.5
260.13962	0.4
273.25595	0.4
301.21686	0.7
315.23587	0.3
327.14294	1.6
338.26978	0.3
425.34088	2.9
466.14993	0.4
522.33551	1.9
605.41229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.4563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71667	1.7
53.03893	3.0
55.01797	13.0
55.05446	52.5
57.03363	2.4
59.40819	1.8
63.40071	1.9
67.05424	43.5
68.51086	2.4
69.03345	4.7
69.06979	13.9
71.04887	4.5
77.14275	1.9
77.71826	2.0
79.05399	51.0
79.19030	1.9
81.03331	3.4
81.06510	3.5
81.06967	83.0
83.04882	20.5
83.08543	26.2
88.66293	1.9
91.05398	23.9
93.06957	36.6
95.04888	24.9
95.08524	22.7
97.10091	42.6
99.48188	2.2
105.06956	22.3
107.04874	10.4
107.08536	24.5
109.06422	3.0
109.10086	10.7
111.04389	22.8
111.08005	11.1
117.06976	17.5
119.08519	24.2
121.06442	12.0
121.10062	20.9
123.07985	23.1
125.09575	29.2
129.06927	3.4
131.08540	16.8
133.10075	9.4
135.08031	4.0
135.11607	11.7
137.09564	3.7
143.08514	11.8
145.10071	21.8
147.08005	11.0
149.09538	2.5
149.13184	2.5
153.09088	10.2
153.12675	3.6
157.10114	3.3
159.11621	3.8
161.09567	2.4
161.50432	2.4
163.11154	11.7
165.09033	7.7
171.11653	2.7
173.13173	2.9
181.12164	8.4
189.11200	14.6
191.10574	4.5
223.13245	8.4
227.12738	13.5
235.37872	2.4
261.22043	4.3
273.18433	15.0
291.19455	100.0
292.19781	3.5
309.20483	13.3
431.31650	3.3
515.38593	2.6
551.40625	4.3
569.41876	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	604.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28100	4.5
51.14369	4.6
53.03894	7.1
53.66246	4.8
55.01810	20.8
55.05455	80.3
67.05434	55.9
69.03379	4.8
69.06995	13.5
75.91891	5.0
79.05408	59.2
81.03311	8.5
81.06975	100.0
83.04910	27.8
83.08533	33.1
91.05392	26.3
93.06964	51.1
95.04902	48.3
95.08559	21.9
97.06493	6.3
97.10127	43.2
105.06980	44.0
107.04888	23.4
107.08547	37.6
109.10097	9.3
111.04411	11.5
117.06984	13.9
119.08532	34.7
121.06461	9.5
121.10105	33.0
122.62810	5.3
123.08029	23.8
125.09606	25.7
129.06984	7.8
131.08539	23.2
133.10095	8.7
135.11642	9.0
143.08517	7.4
145.10129	23.4
147.08072	20.8
147.11652	6.3
149.09636	7.8
153.12683	6.8
157.10072	11.2
161.09676	6.2
163.11159	8.3
179.10577	22.8
205.05823	6.0
212.61397	5.3
273.18533	23.1
275.20026	7.3
291.19492	97.0
297.75943	5.6
313.57315	6.7
522.25024	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	604.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01817	4.8
55.05457	29.8
57.07019	30.3
57.56897	3.3
61.49537	2.8
65.81094	2.9
67.05428	42.9
68.86271	2.7
69.06990	21.3
70.92863	3.2
79.05394	31.8
81.03320	14.7
81.06975	36.7
83.04887	7.6
83.08536	7.6
85.10106	49.3
91.05399	32.5
92.95354	3.6
93.06973	34.6
95.04891	21.4
95.08533	39.5
97.06458	5.2
105.06969	28.0
107.04892	20.1
107.08572	22.9
109.06455	6.5
109.10105	5.2
111.08039	5.1
111.76801	2.9
113.09588	35.0
117.06944	3.7
119.08525	14.0
121.10104	12.4
123.08012	5.1
129.06961	3.0
131.08543	6.2
133.10037	11.0
135.11633	3.0
143.08492	4.3
144.89900	3.0
145.10074	4.9
147.11653	14.3
149.09619	13.7
151.11145	3.7
161.13187	5.8
163.11166	6.0
165.12706	54.9
175.11020	3.3
275.19971	34.4
277.21564	59.9
293.21075	26.4
295.22620	100.0
463.31885	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	604.457
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98513	7.8
55.01801	13.5
55.05446	70.7
58.14565	7.8
67.05428	55.9
69.06955	9.7
79.05405	68.9
81.06980	89.2
83.04917	11.3
83.08534	22.5
91.05405	48.3
93.06966	57.7
95.04917	13.3
95.08524	20.3
97.06490	8.8
97.10103	43.1
105.06953	20.1
107.04921	14.8
107.08545	13.0
108.45978	8.8
114.36954	9.3
117.06991	15.3
119.08538	20.0
121.06480	10.5
121.10075	16.7
125.09580	22.4
126.86610	8.9
128.38232	10.4
131.08533	38.3
133.10112	11.9
144.74707	10.2
145.10068	21.5
146.71811	9.1
147.08040	21.5
153.49731	9.5
163.11116	15.6
179.10565	19.8
185.13235	11.2
189.11229	16.2
227.12804	12.4
273.18408	14.3
291.19415	100.0
451.93250	13.5
605.28546	9.7
605.40491	11.0
615.67401	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	604.457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64499	8.0
55.05458	63.3
64.33555	10.8
67.05432	57.4
69.06982	20.9
73.68058	9.8
79.05421	56.9
81.06992	44.0
83.08540	41.2
91.05424	52.2
92.10295	16.8
93.06985	64.8
95.04927	21.4
95.08553	44.7
97.42776	10.4
105.07004	66.4
107.04900	17.2
107.08576	19.8
109.10146	11.5
117.06963	20.3
119.08549	41.1
131.08554	18.5
133.10110	21.7
145.10098	37.7
147.11711	19.9
149.09567	15.2
159.11720	14.5
163.11121	22.9
239.18039	13.5
275.19989	100.0
277.21439	15.2
293.21204	14.6
408.73953	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	605.402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06959	0.3
52.01458	0.2
53.03891	0.3
53.92134	0.3
54.81599	0.3
55.05450	5.9
57.03373	2.7
57.07000	2.0
65.89632	0.3
67.05418	4.7
69.06982	6.5
71.04893	0.4
71.08541	1.3
79.05413	2.2
81.03333	0.6
81.06967	5.3
83.08539	3.8
83.95319	0.3
91.05399	1.3
92.64075	0.3
93.06961	4.0
95.04865	0.4
95.08524	4.9
95.26982	0.3
97.06463	0.7
97.10101	3.1
97.79735	0.3
105.06961	0.6
107.04881	1.4
107.08543	2.7
109.10107	1.8
111.04386	0.5
111.11626	0.4
114.37126	0.3
121.10091	2.2
122.70290	0.3
123.11684	0.4
133.10068	0.6
135.11652	1.5
149.09621	0.7
149.13307	0.4
176.58548	0.4
203.24117	0.3
267.11960	24.2
268.12399	0.4
291.19574	1.3
323.14664	1.8
339.28754	2.9
604.43878	0.4
605.40076	100.0
606.40613	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	606.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11223	0.4
55.01805	1.1
56.04746	0.6
56.04975	8.8
57.98729	0.9
58.99517	20.6
68.04961	0.5
69.03365	1.7
70.06506	4.6
72.08062	0.8
73.01051	1.0
74.02337	1.0
76.02141	100.0
76.03901	6.4
82.06484	1.1
83.06020	5.7
84.04426	34.2
84.04934	1.1
84.08073	0.9
85.01051	52.3
85.03947	0.8
86.00564	5.8
86.09622	3.5
86.98974	7.9
87.02624	1.0
88.02129	2.5
88.42986	0.5
96.84103	0.5
102.03702	42.2
102.05479	25.8
108.43143	0.6
109.07603	2.4
112.03924	1.1
112.33288	0.5
113.00520	0.9
114.03711	1.0
116.01627	34.9
117.52618	0.5
121.06536	0.6
128.07031	0.9
129.06560	6.4
130.03181	1.0
130.04962	14.2
131.01573	0.7
131.04636	0.5
132.01103	0.9
135.04407	0.6
141.04770	1.1
142.03186	10.9
143.02718	10.0
143.08524	0.7
144.01128	15.9
145.06262	1.0
146.02747	0.9
153.06584	0.8
155.08168	2.7
156.06506	4.4
156.09315	1.0
158.07239	1.0
159.07990	0.9
162.02165	43.2
165.06860	0.7
168.04745	6.7
170.02681	3.0
171.02180	1.1
171.07968	2.6
173.09570	2.2
175.07480	0.9
177.03230	2.8
179.04814	70.5
181.06134	0.8
181.10074	2.2
183.08052	3.7
184.08839	4.3
185.09656	0.8
187.05304	4.9
187.07492	0.7
188.03738	6.1
188.08310	0.9
189.03239	10.6
189.09105	1.9
192.09235	0.7
193.10097	1.0
195.08028	4.9
196.08775	1.2
197.05923	0.9
197.09540	0.7
199.07181	1.1
199.11121	13.5
201.09055	8.0
204.07776	2.1
205.06380	14.9
207.11642	2.3
209.09555	5.1
210.10385	8.8
211.07628	3.9
211.11052	0.9
212.08302	9.0
213.09039	2.4
214.06204	9.8
215.04836	1.1
215.06778	0.9
215.10603	3.0
217.08585	10.2
217.12280	0.9
221.09561	0.8
223.07478	0.7
224.08272	4.8
225.09007	2.3
225.12675	9.9
227.04692	0.7
227.10609	9.6
229.08531	19.2
229.12044	0.8
230.09241	1.1
233.05867	14.2
235.11263	1.9
237.09068	2.3
238.09825	15.1
239.10612	22.9
241.08572	2.8
242.09398	1.2
245.05917	3.9
245.11664	21.1
246.11925	0.8
253.12190	23.2
255.10147	7.7
256.10840	3.4
257.11655	2.2
259.07410	2.7
263.10608	2.2
266.09344	2.6
271.13260	6.3
273.11230	0.7
281.11658	20.9
282.11990	0.7
291.06500	2.3
299.12704	16.6
308.09036	37.1
334.10709	5.5
428.72372	0.6
459.15460	2.3
531.17871	11.9
532.17908	0.9
588.19324	1.0
606.21027	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	606.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03885	1.2
53.84480	1.2
55.01805	1.8
55.05442	2.6
56.04966	9.1
56.96483	1.3
60.04448	3.4
61.30035	1.2
69.06995	2.3
70.06141	2.7
70.06508	63.0
71.06825	1.8
72.08066	24.0
74.05981	7.1
76.56283	1.4
81.06977	1.5
84.04427	18.0
84.08064	41.5
85.02808	2.3
85.08371	1.8
85.21912	1.3
86.09143	2.0
86.09633	38.8
87.09959	2.0
91.05399	11.9
93.06942	1.8
95.04924	3.5
95.06000	2.0
98.05974	2.7
98.97501	2.1
101.07048	1.7
102.05488	6.9
103.05385	6.8
104.05296	2.2
105.06961	6.0
107.04872	2.0
109.03967	1.3
109.06439	1.5
110.07112	16.7
111.04429	1.6
112.08675	2.5
115.08653	1.7
115.74995	1.2
116.98529	1.9
119.04908	13.7
119.08580	1.4
120.08060	10.2
121.06449	3.3
122.03595	7.1
123.04361	2.2
123.07960	1.5
125.07057	1.7
129.10197	23.1
130.06464	1.6
131.04898	22.5
132.05623	2.0
132.08043	2.5
133.02794	1.6
135.04405	1.7
135.07982	3.5
136.07526	6.9
136.08623	1.7
137.05949	100.0
138.06340	1.7
145.06403	2.0
147.04367	9.9
147.07964	1.8
149.05978	11.2
151.03885	3.0
151.07544	1.8
159.04318	10.7
159.09181	1.7
160.05159	2.7
161.05948	49.1
162.06523	2.7
163.07489	5.4
165.05420	1.5
165.06943	2.5
167.06975	2.6
172.05107	6.4
174.06729	3.4
175.07484	18.2
176.04529	2.2
177.09007	1.8
179.07042	2.2
181.06303	3.1
183.08017	1.6
187.07401	1.8
191.06995	20.6
191.08624	2.1
194.07195	2.3
195.08026	2.5
203.06995	39.7
205.06497	2.9
209.06090	2.3
209.07951	3.1
210.06735	2.0
211.07492	2.3
213.09090	1.9
219.07915	1.8
221.06007	4.4
221.08058	19.7
222.06610	1.8
224.08340	2.3
225.09085	6.1
227.06927	3.0
233.05923	2.9
233.08064	6.2
235.07483	7.6
237.02660	1.6
238.06113	2.1
241.08665	1.8
251.06915	5.6
252.07777	3.4
253.08588	7.6
255.06451	3.2
263.06927	5.8
265.08572	7.9
267.10144	8.1
270.08841	1.9
277.08496	3.0
279.06522	1.8
279.10065	2.3
280.07172	2.9
283.09561	3.2
285.11078	10.5
291.09851	2.4
293.07632	1.9
294.08890	2.1
295.09454	2.6
297.11191	7.1
309.11096	3.0
311.09082	2.4
311.12491	2.8
315.12204	2.8
325.10602	2.1
327.12122	2.7
343.11536	6.3
345.13229	10.9
361.12579	2.3
369.13025	6.4
381.13074	1.6
475.36447	1.8
493.18234	7.8
504.44513	1.8
505.17825	2.2
523.19220	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01788	1.9
55.05450	9.7
56.04965	2.0
56.75739	1.1
57.07013	1.0
58.99510	15.0
59.04903	2.0
67.05427	15.7
69.03336	2.9
69.06984	25.5
70.06496	7.4
72.08060	1.6
76.02138	100.0
76.03897	2.2
79.05411	11.2
81.06567	1.7
81.06979	26.5
83.04873	2.1
83.08511	2.4
83.30594	1.5
84.04420	26.7
84.08063	6.8
85.02803	2.4
86.00562	2.3
86.09616	8.0
86.98962	2.6
88.02127	5.4
88.03894	5.5
91.05394	17.6
93.06974	27.5
95.04886	9.4
95.08521	18.9
96.08028	2.0
97.06419	2.2
97.76231	1.3
99.02593	2.1
105.06969	35.6
107.08524	24.5
109.06440	6.5
109.10089	15.2
110.07082	5.6
110.64477	1.4
111.02625	17.1
111.07999	2.4
116.01605	25.6
117.06928	4.8
119.08528	39.5
120.08057	2.8
121.06465	3.1
121.10097	13.4
123.08020	10.1
123.11640	7.8
128.06198	2.1
129.06955	2.1
129.10193	2.4
130.04939	11.5
131.08528	9.8
132.01122	5.1
133.10085	29.7
135.07954	1.4
135.11670	9.0
136.07521	1.5
137.05936	2.0
137.09573	2.8
139.11139	2.5
141.06903	1.6
142.03174	10.0
142.07716	2.2
143.08501	7.5
144.01140	10.5
144.09235	1.6
145.06429	1.8
145.10104	18.9
147.08012	23.8
147.11671	11.9
149.09583	2.5
149.13251	1.9
151.11108	2.5
155.08490	5.5
156.09326	1.6
157.10115	13.9
159.07954	3.0
159.11653	11.9
161.09590	10.6
161.13237	2.7
162.00815	1.9
162.02162	42.5
163.11105	2.3
169.10121	9.0
170.02687	2.6
171.11649	7.0
173.09592	2.0
173.13161	3.1
175.11124	2.5
175.14743	2.7
177.12740	1.3
179.04802	42.8
179.06345	2.2
181.10060	2.2
183.11613	7.3
185.13333	3.9
187.05269	1.4
187.11137	5.3
187.14719	1.5
195.11613	2.9
197.13159	9.0
199.11234	1.8
199.14757	3.0
200.07312	2.8
201.12706	5.9
211.14732	6.6
213.12726	2.0
213.16437	1.8
215.04771	1.7
215.14299	2.6
221.13374	1.5
223.14861	1.7
225.12781	1.6
233.05849	13.9
239.17892	6.0
245.05753	2.5
257.19034	1.9
269.22522	1.8
271.20398	1.6
281.18808	10.0
287.23804	1.5
299.19965	24.0
308.09036	75.3
408.25470	13.1
426.26614	1.6
426.36945	1.3
477.23923	2.0
502.11487	1.8
606.28052	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	606.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01804	9.6
55.05447	53.0
60.61224	5.0
67.05422	45.6
69.06967	13.0
73.96164	4.5
74.79986	5.0
79.05400	53.6
81.06984	83.6
83.04893	10.7
83.08540	23.0
91.05380	22.4
93.06974	36.2
95.04881	22.5
95.08527	27.6
97.10083	39.5
101.98020	5.6
105.06962	26.2
107.04917	8.2
107.08542	28.2
109.06447	9.7
109.10123	8.3
111.04380	11.3
114.37691	6.4
117.06995	8.2
119.08526	28.8
121.06473	8.1
121.10077	9.1
123.08000	11.3
125.09570	14.0
131.08527	9.8
133.10036	12.6
135.08002	10.1
135.11606	11.1
139.11224	6.3
145.10141	12.0
147.08002	10.4
149.09587	6.0
153.12761	6.0
159.11684	6.5
163.11166	11.0
189.11241	8.2
249.14726	9.5
273.18420	24.7
289.73331	5.8
291.19485	100.0
332.61996	5.8
402.96124	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	606.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00250	1.2
53.03877	1.5
55.01807	11.3
55.05188	2.3
55.05449	53.8
57.03364	1.2
57.06997	1.9
57.80922	0.9
67.05426	40.5
69.03343	5.0
69.06685	1.0
69.06989	13.3
71.04915	1.9
71.08535	1.7
79.05404	39.4
81.03325	2.6
81.06969	35.0
83.04906	12.9
83.08536	32.5
85.06475	2.0
91.05401	18.5
93.06966	31.6
95.04887	49.9
95.08527	19.8
97.06464	5.0
97.10096	42.4
99.08025	2.2
101.09608	1.2
105.06965	14.7
106.55441	1.2
107.04899	8.4
107.08524	28.0
109.06413	7.6
109.10073	7.6
110.81474	1.1
111.04398	17.1
111.08033	10.0
117.06963	9.4
119.08540	10.9
121.06442	6.7
121.10089	13.6
123.07999	4.3
125.09579	27.6
129.07027	1.3
131.08510	9.3
133.10133	7.5
135.07985	6.4
135.11597	8.9
139.11130	1.5
140.62833	1.1
143.08499	1.6
145.10107	11.2
147.08026	1.7
147.11679	5.5
149.09604	11.1
149.13214	1.5
153.09087	26.9
153.12701	2.2
155.08542	1.1
157.10158	1.9
159.11658	7.2
159.20644	1.1
161.13187	1.4
163.11148	15.4
165.12694	7.2
167.10683	1.8
171.10080	1.7
173.13295	1.7
177.12680	2.0
181.12178	2.3
187.11253	1.5
187.14734	1.4
189.11182	18.2
205.12172	2.1
223.13208	15.8
224.10942	1.1
227.12724	1.9
257.18942	1.6
261.22171	4.7
275.19971	16.9
293.21033	100.0
294.21344	4.5
311.22073	6.1
372.73975	1.1
395.29202	1.5
431.31400	5.1
535.41187	4.0
553.42352	8.0
571.43500	7.7
606.43127	1.5
607.39221	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	606.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94189	7.5
55.01811	12.8
55.05445	50.7
64.51151	9.2
67.05416	46.3
69.06976	12.9
79.05398	40.7
81.06992	100.0
83.04929	9.8
83.08545	12.6
89.60973	9.7
91.05397	15.6
93.06969	38.8
95.04916	13.3
95.08531	15.3
97.10091	37.5
105.07017	14.4
107.08543	12.2
109.10085	12.7
110.22458	9.1
111.04406	19.2
119.08505	11.3
121.06419	9.3
121.10098	11.2
123.08015	16.9
125.09529	15.3
131.08539	10.8
141.98480	9.0
147.08064	19.1
153.12633	8.9
163.11145	10.2
174.67834	8.7
178.16541	10.3
273.18420	17.5
291.19431	75.2
309.20419	10.3
329.53491	10.2
440.55597	8.7
507.91690	10.5
533.04395	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	606.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05437	43.6
57.07005	10.6
61.05808	9.2
67.05424	88.8
67.05726	12.5
69.06968	41.8
79.05392	76.7
81.03323	11.6
81.06956	96.7
83.08524	21.6
85.10075	11.6
91.05425	77.1
93.06949	59.9
95.04867	47.6
95.08514	68.6
105.06982	88.2
107.04890	16.2
107.08510	48.0
109.10044	22.5
117.06992	21.1
119.08520	68.5
121.10047	15.7
122.74648	10.5
131.08530	26.5
133.10052	41.0
145.10027	18.9
147.11678	18.4
149.09482	12.0
163.11195	26.8
209.99490	12.8
268.76215	12.3
275.20026	100.0
275.32919	12.1
277.21597	26.5
286.29974	11.2
293.21088	17.8
295.22592	18.8
297.22025	10.9
461.47748	12.0
533.96039	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31616	3.1
55.01793	14.2
55.05452	54.7
57.06996	4.5
60.64489	3.0
62.13815	3.5
67.05419	43.2
68.02073	3.7
69.03355	3.7
69.06978	21.8
71.04889	3.0
79.05406	45.5
81.03337	14.0
81.06954	46.8
81.39756	3.1
83.04882	14.4
83.08534	33.5
91.05396	22.4
93.06965	37.8
94.20701	3.2
95.04894	100.0
95.08518	25.0
97.06463	4.8
97.10092	36.1
98.99966	3.2
99.08038	3.8
103.75777	3.3
105.06974	19.1
107.04901	28.1
107.08521	21.7
107.83729	3.0
109.06453	13.0
109.10114	7.5
111.04375	7.9
111.08031	5.4
117.06983	6.4
119.08531	15.2
121.06459	6.0
121.10094	17.7
125.09576	19.1
129.06973	3.6
131.08505	19.2
133.10037	12.1
135.08000	4.8
135.11617	5.4
143.08478	3.5
145.10147	8.0
147.08037	3.7
147.11670	4.7
149.09592	17.2
153.09094	26.9
159.11621	5.7
163.11128	20.0
184.56403	3.8
189.11215	6.1
223.13240	17.7
275.19922	24.4
277.21552	5.7
291.19531	7.8
293.21027	97.8
293.26563	4.2
294.21371	4.3
295.22659	4.2
624.13879	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	607.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27301	1.0
70.06511	7.0
72.08044	1.7
73.94910	1.3
84.04427	2.0
84.08063	8.0
86.09634	8.9
110.07129	2.4
110.54627	1.1
395.10852	5.0
410.13199	12.2
607.21411	100.0
608.21356	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	607.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04966	1.5
67.72991	1.3
70.06512	8.0
72.08066	2.9
84.04420	2.2
84.08064	3.1
86.09615	5.2
91.05395	1.4
94.77074	1.1
110.07133	6.2
114.31992	1.2
123.28510	1.5
129.10187	2.7
133.10130	1.4
136.07619	6.0
141.61168	1.3
169.35907	1.4
297.77570	1.2
395.11093	7.5
410.13422	11.0
454.59863	1.3
483.63843	1.5
607.21375	100.0
608.21844	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	607.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17506	0.2
60.04451	55.2
69.03322	0.3
70.02853	0.3
80.48714	0.2
80.84328	0.2
84.08049	0.3
87.05496	2.3
103.05407	2.6
107.04908	0.9
111.25961	0.2
117.06949	0.3
120.08047	100.0
121.08408	2.2
131.04906	2.5
132.08058	0.8
139.03853	2.4
144.08058	2.7
149.05949	2.1
160.07538	0.4
162.09056	2.9
162.10208	0.3
166.08585	52.2
167.08975	1.2
207.11230	11.9
208.11618	0.4
235.10715	2.6
253.11757	44.1
254.12180	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07911	2.5
55.05439	12.1
56.04963	5.1
58.99512	14.7
67.05428	2.9
69.06971	11.2
70.06507	26.9
72.08073	4.8
76.02140	100.0
79.05386	12.3
81.06956	13.0
84.04424	31.1
84.08078	25.6
85.02863	4.4
86.09621	20.1
91.05408	16.2
93.06995	16.1
95.04878	3.5
95.08543	16.9
105.06979	25.4
107.08540	23.5
108.31450	2.8
109.06443	4.0
109.10098	14.4
110.07070	4.3
116.01654	29.4
117.06951	4.5
119.08518	33.9
120.08047	5.0
121.10094	14.4
123.08026	3.4
129.10207	13.0
130.04994	12.7
131.08543	15.8
133.10081	19.0
135.08037	3.3
135.11644	5.9
142.03181	13.7
143.08574	13.2
144.01131	13.9
145.10123	13.5
147.08047	21.6
147.11653	5.3
149.31145	3.4
155.08540	3.1
157.10085	13.8
159.11624	7.4
161.09573	5.5
161.13264	5.7
162.02142	42.7
163.11191	4.1
169.10165	4.9
171.11613	20.4
173.09698	4.0
173.13197	10.8
175.11105	5.0
179.04837	39.1
181.12212	4.1
183.11697	6.9
185.13264	5.8
187.11101	13.9
193.04907	3.9
195.11679	12.0
196.12317	3.3
197.13144	3.2
199.14874	3.4
201.16333	4.8
209.13222	11.1
211.14687	3.5
213.16336	4.9
215.04950	3.8
228.58875	3.0
233.05885	14.9
237.16269	3.8
239.17859	4.4
241.19560	6.5
245.05922	4.2
255.21043	13.8
265.19470	5.6
283.20572	26.3
301.21533	18.7
308.09036	91.4
464.18027	3.8
608.21130	14.9
608.29956	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	608.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01808	5.7
55.05451	48.2
56.56727	1.9
57.07010	2.0
63.46964	2.3
67.05435	36.5
69.03352	4.4
69.06988	14.7
76.04688	2.1
79.05410	31.6
81.03347	3.1
81.06977	37.9
83.04893	10.6
83.08546	26.5
87.96560	2.7
91.05399	12.7
93.06965	25.6
95.04350	4.3
95.04893	68.9
95.08524	19.7
97.10101	35.0
105.06969	11.2
107.04918	11.7
107.08543	29.9
108.36023	2.2
109.06464	8.9
109.10091	4.4
111.04368	4.0
111.08029	4.2
117.06959	5.2
119.08534	11.7
121.06470	3.8
121.10126	9.3
123.08017	5.2
125.09605	20.5
131.08539	11.1
133.10085	5.2
135.08017	4.1
135.11668	4.4
145.10146	10.8
147.08061	3.1
147.11639	3.8
149.09625	14.8
153.09102	20.4
159.11620	3.5
163.11111	18.9
165.12692	4.1
177.12630	3.3
189.11206	11.3
223.13257	16.9
275.19962	18.3
290.61121	2.3
293.21042	100.0
294.21335	3.1
324.55338	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	608.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60040	3.4
55.05441	39.9
61.79552	4.1
67.05430	33.2
69.06982	4.9
75.18438	3.9
76.60789	4.5
79.05395	20.8
81.06963	32.9
83.04886	10.0
83.08513	10.1
85.02831	4.4
91.05415	7.5
93.06963	18.6
95.04860	33.0
95.08514	25.1
97.10085	31.7
105.06935	10.1
106.44864	4.5
107.08485	8.4
111.04370	6.9
111.08029	5.9
125.09571	26.0
149.13152	5.0
149.81021	4.9
153.09073	26.5
163.11104	8.6
165.12776	5.2
169.95746	4.6
175.70717	4.4
181.12195	4.6
185.95392	4.7
194.95480	4.9
223.13168	11.6
247.36899	4.8
275.20218	5.6
292.77991	5.5
293.21008	100.0
553.87030	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	608.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69765	6.8
55.05446	22.2
56.75163	6.9
57.07000	22.8
64.61100	8.5
67.05412	57.5
69.06979	19.7
71.08540	10.8
72.04438	12.0
79.05412	62.7
81.03318	18.1
81.06947	66.3
83.08529	12.1
85.10100	50.3
91.05388	17.2
92.64037	9.4
93.06997	68.2
95.04885	17.3
95.08537	71.2
97.10116	12.9
105.06992	20.3
107.04888	11.1
107.08569	15.8
109.10107	13.5
113.09620	17.2
118.25245	8.5
119.08515	20.4
129.06966	9.1
133.10115	13.6
138.08711	8.5
165.12743	54.7
182.74167	9.1
243.03732	9.8
277.21582	85.4
279.23389	10.4
279.26462	8.9
280.31055	9.3
286.58279	10.2
295.22617	100.0
295.25455	11.3
310.30948	10.2
404.95496	12.1
541.58075	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	609.389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32925	0.1
55.01797	0.1
55.05456	1.0
57.06995	0.2
62.19234	0.1
67.05412	0.7
69.03343	0.2
69.06983	0.7
70.83294	0.1
79.05360	0.5
81.06963	1.4
83.04916	0.2
83.08522	0.9
84.08059	0.2
91.05431	0.4
93.06964	0.7
94.04102	1.6
95.08530	0.2
98.06010	0.2
105.06964	0.3
107.08509	0.3
109.06474	0.2
109.10118	1.3
121.10162	0.2
122.03594	5.6
123.11648	0.6
133.10092	1.4
137.05948	100.0
138.06268	1.4
151.11140	1.4
153.12488	0.2
168.13785	0.9
170.15355	0.3
180.13788	1.8
182.15356	0.3
198.06677	0.3
213.05171	0.1
213.09148	0.6
241.08612	0.9
259.09390	0.5
271.09610	0.6
273.11139	2.3
304.19031	3.5
306.20499	0.9
388.13071	0.2
394.95181	0.1
451.09625	0.2
506.84052	0.2
507.63535	0.2
510.54810	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82087	0.6
56.97366	0.6
67.70944	0.6
68.54946	0.7
71.92396	0.8
72.06835	0.7
76.56570	0.8
81.06990	0.8
84.74660	0.7
91.05403	0.9
104.38821	0.7
105.06969	1.1
105.21206	0.7
107.08574	0.8
109.10108	1.2
112.07467	0.8
116.93019	0.8
121.90222	0.8
133.10092	3.6
141.07005	1.2
142.07776	1.2
153.06970	3.5
155.08549	3.6
168.05669	5.4
168.13792	1.3
170.07196	4.2
171.08015	1.7
180.13829	1.9
181.06458	4.2
182.07292	1.1
183.08026	4.1
184.05118	0.8
185.05940	1.6
185.09543	5.9
187.07480	1.5
190.96158	1.0
195.08054	1.1
196.05200	1.3
197.05981	2.7
198.06693	18.5
199.07433	5.6
209.05904	1.8
210.06725	1.2
211.07487	7.7
213.05501	4.6
213.09044	11.2
214.09709	1.7
215.07120	1.6
216.07753	0.8
226.06155	8.9
227.06984	4.8
228.07805	4.7
238.18427	1.0
239.06946	3.5
240.07855	1.1
241.08559	29.4
241.10909	1.3
242.08954	1.0
243.06432	3.0
243.10045	0.9
253.08607	1.1
255.10056	3.2
256.07263	1.5
258.08789	1.0
259.09613	23.4
271.09570	24.2
273.11163	100.0
274.11459	4.6
423.21655	3.5
440.24292	1.5
475.21112	0.9
534.85559	0.8
627.34961	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.412
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92964	0.2
84.44316	0.3
92.10915	0.3
104.01996	0.3
249.10913	0.4
331.18896	1.2
373.32025	0.3
377.16592	0.3
567.01959	0.3
589.73456	0.3
609.41138	100.0
610.41760	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	609.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73061	0.5
54.99407	0.6
67.05417	0.9
69.06957	0.6
74.76453	0.5
79.05397	0.7
81.06960	0.6
92.10286	0.8
92.63748	0.6
112.47786	0.7
117.06983	0.7
178.26855	0.6
179.51465	0.6
179.54471	0.7
315.19287	4.1
317.20987	2.3
609.41119	100.0
610.41302	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	609.4121
Annotation	Ulmicin A
Peak:m/z	Relative Intensity
52.31256	1.7
55.05443	1.7
74.55569	1.8
92.10266	2.6
108.19783	1.8
227.30078	2.2
261.57153	1.9
315.19525	2.0
489.18927	3.0
493.15338	1.8
591.39587	14.7
609.41193	100.0
610.41187	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	610.184
Annotation	Unknow
Peak:m/z	Relative Intensity
63.45733	2.1
71.30849	2.2
73.04658	12.3
89.50079	2.4
91.05718	100.0
114.07295	4.3
142.65747	2.2
167.05510	29.9
225.04156	3.7
239.09456	15.8
266.99918	4.6
268.97772	14.3
283.03027	4.1
285.00912	22.9
299.06049	16.6
303.01987	4.2
310.31293	4.3
336.26239	2.2
344.97705	9.2
355.06900	35.6
373.08185	2.7
402.96310	4.6
410.10623	2.5
418.99628	10.5
473.82739	2.6
482.80786	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	610.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	12.2
56.04999	2.2
60.04455	41.4
67.05417	14.3
69.06998	8.9
74.05981	2.6
79.05402	9.9
81.06980	11.3
81.99792	2.0
83.08540	8.3
91.05409	13.2
92.10936	6.8
93.06985	9.0
94.06505	1.9
95.08549	9.4
105.06980	9.4
107.08562	9.9
109.06495	2.4
109.10126	8.5
111.77635	2.1
117.06982	7.9
119.08533	22.8
121.06461	2.4
121.10111	9.5
123.11665	3.7
129.07008	3.5
131.08569	4.4
132.05687	3.1
133.10103	9.0
135.08151	2.5
135.11630	1.9
143.08611	2.9
145.10043	8.2
147.08017	62.5
155.08557	3.1
157.10091	4.2
159.08015	4.1
159.11630	3.2
161.09633	9.9
169.10089	2.6
171.11716	3.4
173.09613	14.9
176.10741	3.1
183.11661	2.7
185.09612	2.9
185.13345	2.3
187.11165	3.3
197.09628	4.5
197.13292	2.1
198.10420	3.6
199.11221	4.5
211.11192	8.4
213.12701	2.5
225.12794	3.2
227.14131	2.5
247.11092	2.4
267.17459	17.1
298.27353	2.5
322.27649	2.5
356.22299	3.5
464.37750	2.1
564.43854	8.0
582.45081	3.9
592.43414	19.7
593.44232	2.1
610.44604	100.0
610.54327	4.3
611.44214	4.9
623.59778	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	610.504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01799	7.5
55.05447	50.1
58.06422	2.9
63.14589	3.2
67.05424	34.6
69.06984	16.2
71.99865	2.7
79.05414	26.2
81.06973	32.6
83.04893	7.8
83.08527	33.8
84.00573	3.2
85.06480	3.9
91.05367	7.2
93.06955	19.5
95.04897	73.6
95.08546	24.1
97.10093	33.0
105.06940	12.6
107.04884	7.1
107.08529	27.7
109.06467	5.1
109.10101	3.7
111.04375	3.7
111.07989	5.1
119.08516	5.8
121.10088	5.1
123.08006	4.3
125.09587	22.9
131.08501	12.6
135.07974	3.5
135.11617	4.6
145.10097	6.5
149.09590	15.2
149.38103	3.0
153.09047	19.5
158.62138	3.1
160.00104	3.2
163.11136	23.9
180.63972	3.3
189.11176	14.0
223.13196	13.5
226.34660	3.2
239.53143	3.5
275.19974	15.6
293.21045	100.0
345.97141	3.3
456.62192	3.6
590.64288	3.9
611.40326	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	611.1602
Annotation	Rutine
Peak:m/z	Relative Intensity
53.00238	0.1
53.03886	0.3
55.00327	0.1
55.01805	0.4
55.05444	0.4
57.03369	2.3
59.04938	0.1
61.02860	0.7
65.03867	0.1
68.99711	0.5
69.03342	1.6
69.23168	0.1
70.06507	0.9
71.01254	0.1
71.04904	11.5
72.08065	0.4
73.02828	0.6
75.04371	0.6
81.03329	1.1
83.04884	0.5
84.04440	0.3
84.08067	0.4
85.02821	15.9
86.03173	0.1
86.09624	0.5
87.04385	0.4
87.89430	0.1
91.03885	0.1
93.03336	0.1
95.04887	0.3
97.02810	1.5
99.04381	0.4
109.02814	0.8
109.23430	0.1
110.07092	0.1
111.00723	1.0
111.04385	0.4
120.08067	0.1
121.02807	1.0
123.04400	0.3
127.03850	0.9
129.05424	1.9
129.10194	0.4
131.04915	0.1
135.04343	0.3
137.02306	3.4
137.05927	0.1
140.72821	0.1
145.04924	0.6
145.06418	0.1
147.06516	0.4
149.02310	0.5
153.01797	3.8
154.02133	0.1
161.05899	0.4
163.03860	0.7
165.01791	2.4
165.03148	0.1
166.02557	0.5
173.05910	0.4
181.95717	0.1
183.02843	1.1
183.04375	0.3
184.28860	0.1
187.03894	0.3
191.03395	0.1
195.02715	0.3
201.05421	1.8
205.04997	0.1
207.02995	0.1
213.05464	0.1
219.06473	0.3
228.04070	0.1
229.04904	5.2
230.05241	0.1
233.04504	0.1
245.04425	0.1
247.06004	0.8
257.04346	3.1
269.14728	0.1
274.04666	0.9
274.07651	0.1
275.05377	0.1
285.03867	1.5
286.04489	0.1
303.04919	100.0
304.05246	2.8
304.08020	0.1
384.76172	0.1
465.09888	0.6
611.21112	0.1
632.86395	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	611.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75133	1.4
62.68628	1.5
73.77318	1.6
74.78228	1.6
89.30521	1.6
92.10934	5.9
163.58130	1.8
234.17227	1.9
526.40717	2.4
611.42676	100.0
612.43024	10.1
628.43964	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
78.67218	0.4
79.17292	0.5
79.97781	0.5
86.10404	0.5
91.43159	0.5
114.53624	0.7
120.53368	0.5
134.41360	0.5
135.96260	0.4
297.94968	0.6
333.20386	0.8
505.34665	0.7
611.42688	100.0
612.42963	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	611.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64160	2.5
53.78702	3.2
61.92966	3.3
71.48940	2.7
93.06910	3.0
101.19926	2.7
114.37485	3.1
135.40276	2.8
146.00240	2.7
150.60237	2.9
158.89694	3.3
160.60703	2.8
193.41882	3.2
213.75233	3.2
287.17963	3.3
392.10501	3.5
467.71094	3.6
611.33875	5.1
611.42731	100.0
612.43695	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17520	0.7
57.31374	0.7
71.75208	0.9
98.02666	0.8
117.12321	0.9
166.52594	0.7
278.30237	1.1
311.16818	0.7
315.19226	1.5
317.20926	1.0
398.28525	0.9
498.58035	0.9
593.41699	24.3
611.42694	100.0
612.43408	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
71.08546	2.5
78.40795	2.5
81.07030	2.1
89.05956	2.3
92.64223	1.9
95.91504	2.0
113.27599	1.8
113.43624	2.0
295.07816	2.0
611.42719	100.0
612.42938	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	611.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
60.69793	1.4
67.05434	1.7
73.76858	1.5
95.08527	3.1
105.06976	1.5
109.10165	2.1
111.16295	1.5
119.08595	1.5
135.11679	1.9
185.54561	1.4
187.63014	1.5
203.37482	1.6
221.88292	1.5
317.20886	7.5
327.33240	1.3
330.53723	1.7
578.75024	1.4
611.42706	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	1.2
55.05445	12.1
57.03367	1.1
57.07013	10.0
59.04916	1.6
60.04446	1.5
61.76275	1.1
64.24425	1.3
64.34997	1.2
66.22826	1.3
67.05427	18.9
69.03343	9.6
69.06983	14.4
71.08545	5.3
79.05415	2.8
81.03330	5.8
81.06967	25.9
83.04890	10.6
83.08549	7.6
85.02797	1.4
85.06463	1.4
85.10063	1.3
91.05402	2.6
92.10975	2.6
93.06966	10.4
95.04883	2.2
95.08531	35.3
97.02803	2.5
97.10094	5.2
99.08086	1.5
104.91569	1.3
105.06973	7.4
107.08537	21.7
109.06470	11.0
109.10102	100.0
110.10449	1.7
110.79600	1.2
111.08009	2.5
119.08529	26.2
121.10096	12.2
123.08025	14.4
123.11640	9.4
127.03844	1.8
133.10094	21.5
135.11656	67.5
137.09587	17.1
139.11130	2.4
144.52754	1.4
147.08054	5.6
149.13239	7.8
151.11143	8.9
151.14807	12.3
153.12711	1.8
160.47345	1.4
165.16331	2.9
175.14780	25.4
176.15187	1.3
193.15829	29.3
211.16902	49.8
229.33302	1.4
239.23689	2.0
266.85828	1.6
593.42706	1.7
611.43024	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55053	0.7
53.03888	0.9
54.82358	0.8
55.01814	1.3
55.05457	1.0
56.04956	2.1
57.03368	8.4
57.85172	0.8
59.04927	1.0
60.04453	1.9
61.02850	1.7
66.50933	0.8
69.03011	1.6
69.03350	34.0
70.06506	17.8
71.04898	0.8
72.08072	7.8
74.05974	1.7
75.04400	1.7
79.90298	0.8
81.03327	3.3
82.92818	0.8
84.04421	6.8
84.08064	14.1
85.02343	1.6
85.02828	35.5
86.09619	8.8
87.04394	15.8
88.03903	0.9
91.05376	4.8
92.10293	1.2
93.06955	4.8
95.04897	1.3
97.02833	23.2
98.97555	1.0
102.05482	1.6
103.05379	2.2
104.05256	1.0
107.04916	1.1
109.02814	1.2
110.07108	5.3
115.03883	16.8
117.06963	3.7
120.08065	4.0
121.06460	100.0
122.06802	1.6
123.97363	0.9
127.03862	5.2
127.08599	1.0
129.10184	6.1
130.04961	1.2
133.04939	14.0
133.06432	5.2
136.06166	1.8
136.07573	4.3
137.05936	5.3
139.03859	1.6
139.07512	11.9
141.06801	1.1
145.04939	3.5
145.06474	11.0
151.07481	3.4
157.06393	1.5
159.08003	3.4
163.06212	1.7
163.07524	8.8
171.07957	2.0
175.07547	0.8
179.06917	1.3
183.06433	1.6
187.07504	15.1
205.08586	10.2
217.08528	5.9
259.08215	1.5
277.08878	1.1
290.80817	0.9
295.10162	1.7
301.12302	1.1
311.55328	1.0
341.13596	1.2
388.09708	0.9
416.55161	1.1
435.56601	1.1
494.89670	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05448	10.4
56.04974	2.6
57.07009	2.5
60.04453	36.4
67.05425	10.1
69.03339	1.8
69.06974	9.1
71.08574	1.1
74.06001	3.0
74.98088	1.1
79.05418	7.1
81.06979	8.0
82.06501	1.8
83.08568	5.5
91.05405	12.5
93.06998	5.7
95.08533	8.9
97.10123	2.2
105.06981	11.1
107.08558	2.6
109.10121	5.9
117.06966	1.5
119.08541	13.7
121.06514	2.6
121.10098	9.2
123.11701	2.1
129.06973	1.4
131.08572	5.7
132.05647	4.3
133.10135	5.3
135.08061	1.4
143.08571	5.5
145.10158	6.4
147.08020	45.6
149.09639	2.9
155.08623	2.8
157.10106	1.7
158.07292	2.9
159.08028	2.6
159.11713	6.4
161.09669	6.9
169.10139	1.5
171.11687	2.3
173.09579	14.6
175.11185	2.0
181.10085	1.7
183.11662	1.5
185.09590	4.0
185.13277	1.6
185.59608	1.3
187.11186	5.9
197.09541	2.1
197.13293	1.9
199.11267	3.0
209.13174	1.8
211.11316	6.6
212.12021	1.2
213.12723	2.0
225.12703	2.3
225.16466	2.0
227.14545	3.5
239.14281	1.5
243.17314	2.2
267.17380	10.6
280.26306	1.5
282.27890	1.8
298.27505	1.6
300.29047	2.6
338.21072	1.3
354.20981	1.6
356.22287	1.7
432.34726	2.5
448.37769	2.2
466.39093	5.1
554.41144	1.6
566.45856	7.1
584.46686	4.8
594.45374	17.5
595.45160	1.9
611.42944	12.7
612.46002	100.0
613.45392	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	612.504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00248	1.5
55.05441	6.7
57.06735	2.3
57.07008	55.5
58.26913	1.2
58.57749	1.2
59.04922	1.7
60.04452	2.1
62.59658	1.3
67.05420	1.6
67.76088	1.3
69.06989	3.4
71.08540	44.6
71.08907	2.6
73.06462	10.1
83.08538	6.7
85.10101	18.6
87.04373	9.1
89.05947	100.0
97.10107	2.3
104.31002	1.6
107.07015	6.7
111.11671	1.9
129.90845	1.6
133.08549	35.0
146.10928	1.4
177.11201	14.1
178.31189	1.5
221.13736	2.0
313.30826	7.5
371.22513	8.3
382.08496	1.8
595.47833	11.9
612.43207	7.4
627.57208	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66391	1.7
53.03890	4.4
55.01800	3.4
55.05453	23.1
56.05784	2.6
57.03370	18.9
59.04922	2.3
62.64224	2.0
65.03864	7.7
65.96785	1.6
67.05431	59.5
68.05759	8.7
69.03360	3.5
69.06980	14.3
76.57212	1.9
79.05418	42.4
79.09938	1.7
80.05725	2.6
81.03336	4.5
81.06976	44.0
82.07320	3.1
83.04911	10.9
83.08493	2.8
85.02841	2.1
91.05407	43.9
93.06435	3.0
93.06975	47.2
93.64612	2.1
94.07304	4.7
95.04888	19.3
95.08527	38.0
96.08859	3.4
98.98394	25.4
103.05383	21.9
105.06965	56.6
107.04894	13.4
107.08517	18.3
109.02831	2.8
109.10078	9.8
110.10497	2.3
115.05407	4.6
117.07014	3.3
118.04118	3.8
119.04874	4.4
119.08556	4.6
121.06467	34.0
121.10107	12.5
123.04420	4.1
125.05933	8.7
128.06255	2.8
129.06952	10.3
131.04871	8.5
131.08540	8.3
133.06461	36.4
133.10081	3.7
135.04393	2.8
135.07985	4.6
135.11635	4.9
137.05942	16.8
143.08545	3.9
145.06432	2.3
145.10091	9.7
147.04398	2.8
148.05116	3.0
149.05937	11.9
149.13177	2.3
150.06738	19.8
151.03851	2.9
153.05452	3.2
153.06909	2.7
154.06213	11.8
155.01031	8.0
157.06464	2.7
158.07193	4.3
159.07938	2.5
160.08427	2.8
161.05916	2.5
161.09622	5.0
165.06944	3.3
165.09062	34.2
166.06212	10.9
167.07030	27.4
167.08372	4.2
171.06615	2.6
173.09593	8.6
175.07396	2.8
177.05406	3.9
178.06187	2.6
179.07001	8.7
179.08459	3.3
181.05054	22.8
181.06459	4.6
181.08549	49.5
182.07214	3.8
183.07986	3.5
184.05179	8.4
189.09015	21.1
191.07091	7.1
191.10625	2.6
192.07753	3.1
193.08566	100.0
193.10301	3.5
194.07291	2.9
194.09091	5.3
195.08034	12.0
196.08870	2.5
197.06042	8.5
197.09639	4.5
198.06750	4.7
199.07495	11.0
199.11115	2.7
201.09058	10.7
208.08858	11.0
209.06024	4.4
209.08032	26.0
209.09727	3.6
210.06749	9.5
210.08823	8.9
211.07507	11.8
212.08278	9.6
213.09178	2.6
219.10185	3.1
221.09731	3.2
221.11475	15.6
222.10194	2.6
223.11208	4.3
224.08226	3.3
225.09090	11.5
226.06303	4.2
227.06955	11.9
227.10693	14.0
228.07719	2.5
229.04926	4.7
229.08435	2.4
233.11678	3.2
233.23112	2.4
235.07520	2.6
236.08316	4.3
237.08957	4.4
239.07005	3.1
240.07773	4.7
241.08644	5.2
243.10069	3.0
249.11128	10.6
251.10629	9.1
251.12935	4.4
253.08551	8.5
254.05574	2.6
255.06398	3.8
255.10170	16.0
256.07205	3.7
257.04324	11.4
257.07950	2.3
257.11609	8.3
259.09601	17.7
261.22092	3.4
268.10751	2.7
269.11588	3.3
270.08740	12.0
271.09564	20.5
272.06674	3.5
272.10126	3.5
278.09201	2.5
281.08145	3.1
283.13211	11.4
285.11249	19.6
286.11819	12.7
287.09488	4.0
287.12711	23.3
300.06198	3.3
300.13339	3.2
301.10712	2.5
311.12839	16.5
315.08813	16.7
315.11948	2.4
317.06519	2.5
329.10254	3.2
335.25760	54.1
336.26016	41.3
343.15311	96.1
344.15714	4.2
345.13123	13.0
353.13690	4.3
371.14810	43.0
372.83554	2.5
385.16412	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	613.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25297	2.7
54.81586	2.5
56.96502	53.3
64.19395	2.4
67.05428	2.4
69.10570	2.6
72.95975	2.6
78.53253	3.0
78.62331	2.6
79.05392	4.4
80.08543	2.7
81.06997	3.9
84.95948	4.1
93.06956	4.0
95.04873	2.8
95.08572	3.3
98.97520	76.8
105.07006	4.3
112.99104	11.5
116.98573	82.0
128.98576	3.8
131.00124	48.4
134.99623	69.7
143.00130	4.6
146.99648	16.3
149.01193	100.0
153.00677	7.2
158.01170	3.5
158.99637	28.1
161.01218	22.0
167.02267	22.5
173.01183	4.6
177.00705	73.7
181.04959	5.8
191.02258	15.9
193.08595	6.9
195.01746	11.2
199.02766	3.5
203.02245	5.9
215.02229	4.2
217.03825	12.4
219.01671	4.2
227.02147	6.4
237.02728	12.0
260.06909	3.1
275.04327	4.9
293.05334	48.4
311.06421	11.2
317.17813	95.2
335.18826	82.4
370.51974	3.3
377.19800	4.7
391.21365	3.7
553.26764	89.3
554.26965	6.7
590.34094	3.1
612.36755	5.0
613.37012	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	613.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
63.49570	0.8
87.15804	0.9
89.05957	2.3
135.60683	1.0
172.84073	0.9
329.22305	1.1
390.80869	1.0
544.37732	1.1
613.44226	100.0
614.44824	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	613.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52100	1.3
76.89554	1.9
81.06976	2.5
89.05965	4.1
93.06944	1.9
104.37620	1.7
133.26003	2.1
144.23608	2.0
239.01317	2.1
290.90616	1.9
415.25363	2.3
521.88867	1.8
613.44183	100.0
614.44568	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	613.4438
Annotation	Bengamide J
Peak:m/z	Relative Intensity
54.81604	0.8
60.54994	0.7
63.56829	0.8
67.05428	1.2
69.56298	0.9
76.47945	0.8
81.07013	1.2
89.05932	2.9
95.08578	1.0
97.65715	0.8
105.07021	1.3
119.08587	1.0
142.61526	0.8
144.29527	1.0
154.75275	0.7
191.52267	0.8
202.98903	0.8
317.20892	3.2
373.78378	0.9
442.97122	0.9
485.16434	0.9
502.51324	1.0
595.43292	21.2
613.44348	100.0
614.44812	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	614.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52187	0.2
51.37762	0.1
56.21656	0.2
62.10520	0.2
70.02243	0.2
72.52188	0.2
74.02348	1.0
74.37849	0.2
76.56340	0.2
77.22849	0.2
84.04433	0.2
85.02841	0.3
89.51202	0.2
91.05402	0.5
108.33689	0.2
109.29926	0.2
115.05404	1.1
117.05704	0.3
117.06976	2.0
118.06483	20.9
119.06788	0.3
120.08028	0.4
120.45872	0.2
130.06505	2.4
132.08060	6.9
142.06503	2.2
143.07288	3.0
144.04443	0.9
144.08063	17.7
145.08427	0.3
146.05980	84.8
147.06328	2.3
159.09140	9.4
160.07513	1.2
170.05968	6.4
188.07022	100.0
189.07358	4.0
205.09680	29.4
206.10095	1.0
216.10715	0.2
272.21729	0.2
421.96689	0.2
459.12823	0.2
624.51801	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62568	0.5
52.64434	0.4
53.00250	1.0
53.03873	0.8
55.05445	3.6
56.96498	0.7
57.03373	11.5
59.04916	0.8
61.02855	1.3
68.18861	0.5
68.83514	0.5
69.03329	1.3
69.06650	0.8
69.06990	14.0
70.06504	2.8
70.07301	0.6
70.97795	0.5
71.04910	77.8
72.08066	1.0
73.02821	4.1
75.04397	4.5
76.59557	0.6
81.03356	1.0
81.06976	0.9
83.04903	13.6
83.08546	1.2
84.04420	0.8
84.08056	1.5
85.02827	100.0
86.03092	0.7
86.09608	1.2
87.04385	1.4
90.77179	0.6
91.05421	0.8
93.06989	0.7
96.28049	0.6
97.02798	3.6
97.06494	0.8
99.04386	1.2
101.05975	0.8
103.03882	0.8
104.87154	0.6
105.06969	0.6
109.10094	1.3
111.04386	8.0
111.08001	0.8
120.08049	1.5
121.06454	11.9
126.06388	0.6
127.03860	2.3
129.04494	0.9
129.05447	23.0
133.02837	0.7
137.05977	1.3
145.10103	0.9
147.06531	11.6
147.07996	8.8
149.06059	0.8
158.07271	1.3
159.08015	3.1
161.09547	3.4
163.07497	0.9
171.08034	2.7
173.09583	23.2
175.11119	2.7
185.09619	1.1
187.11134	9.3
189.08945	1.0
191.10687	0.6
199.11153	3.2
201.12715	4.1
207.52304	0.6
211.11151	3.7
213.12694	3.5
215.10605	0.9
215.14301	5.0
221.65469	0.6
227.14226	2.7
229.15840	3.1
237.07617	0.8
238.13341	0.6
243.17407	4.4
253.15854	7.6
271.16855	16.5
289.17920	27.2
290.18335	1.4
309.11780	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58295	0.3
56.04969	4.8
64.96423	0.3
69.03336	0.4
69.06982	0.4
72.08053	0.6
84.04420	94.8
84.08068	0.4
85.02814	1.8
85.04761	0.7
86.09618	100.0
87.09959	2.0
102.05469	17.0
105.18187	0.4
113.07063	0.7
126.39346	0.4
129.06541	4.3
132.10155	51.9
133.10536	1.3
141.06558	4.1
143.11745	5.2
144.12120	0.9
152.10728	1.5
155.12062	0.3
171.11319	1.7
197.12807	43.5
198.13203	0.9
225.12268	3.5
243.13324	62.4
244.13818	1.8
247.17653	0.4
261.14343	15.2
374.13950	0.5
533.37921	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88799	2.6
56.96500	37.3
61.32898	3.0
84.95937	3.8
86.09608	3.7
98.97508	53.3
104.10679	5.2
112.99049	3.8
116.98569	54.1
131.00145	39.2
134.99608	53.8
143.00198	5.3
146.99565	6.7
149.01196	72.5
149.02298	5.2
153.00784	12.7
156.28897	3.3
158.99600	21.5
161.01184	16.5
167.02228	20.8
173.01161	6.2
177.00679	63.8
179.02267	4.2
189.00702	3.3
191.02290	6.5
195.01720	12.2
199.02646	3.1
203.02232	5.9
207.01770	3.7
215.02092	4.8
217.03709	4.8
237.02611	3.5
248.06415	3.3
264.70029	3.2
275.04437	5.2
293.05508	24.0
311.06271	3.9
319.19421	21.9
335.42722	3.5
337.20428	100.0
338.20688	4.1
355.21524	3.5
360.21603	5.4
379.21463	15.5
499.25342	4.1
555.28290	87.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90836	0.2
56.96502	49.2
57.03362	0.5
60.04461	0.6
61.02845	0.5
65.83696	0.3
69.03345	1.4
70.06504	0.7
71.04883	0.3
72.08045	0.4
72.95953	0.7
74.97536	1.7
79.99992	0.3
81.03326	0.3
83.97568	0.4
84.04428	0.3
84.08084	0.4
84.95950	5.3
85.02828	4.0
85.75597	0.3
86.09620	1.7
92.98570	0.4
97.02830	1.3
98.97514	18.6
98.98167	0.7
100.68842	0.3
102.97008	0.6
110.97518	3.6
111.64234	0.3
116.98568	21.4
117.99018	0.3
120.08052	9.8
121.08429	0.7
124.99107	1.1
127.03922	0.5
128.98563	12.6
129.10165	0.4
131.00131	0.7
132.10165	0.4
133.01694	1.3
134.99629	17.2
140.98604	1.7
143.00133	9.1
144.98071	0.3
145.04951	0.5
146.99634	22.5
149.01222	1.8
151.02705	0.4
152.98578	5.0
153.00632	3.0
157.01727	0.6
158.99637	11.3
161.01190	25.8
161.12943	0.3
162.99133	1.6
163.02757	0.4
165.00703	4.4
166.08641	3.2
167.03786	0.6
169.01793	0.3
170.01244	0.4
170.99615	14.0
173.01112	0.4
175.02731	2.7
176.03835	5.2
177.00681	15.3
177.02220	0.6
178.05350	8.0
179.02252	6.1
183.03271	3.1
187.02757	5.2
189.00670	9.6
192.03259	0.7
194.04820	5.7
195.01720	3.9
196.06427	13.1
199.02744	2.8
201.00587	3.8
201.04311	9.1
204.03233	2.7
205.03789	2.8
207.01782	0.4
208.02771	0.6
210.04305	0.7
217.03839	1.5
219.01718	17.0
219.05307	1.3
219.13341	0.7
222.04344	27.2
223.04639	0.3
226.03839	1.6
237.02771	56.5
238.03065	0.6
240.05383	47.1
241.05775	1.4
245.05846	0.5
246.02788	0.7
247.04874	0.6
248.07567	0.5
255.03793	6.0
259.04739	2.1
260.04333	1.2
264.05664	2.2
265.06061	0.7
266.08871	0.5
267.08987	0.3
276.05380	0.7
277.05878	6.3
282.06418	1.3
287.08743	0.3
304.04138	0.6
304.07019	13.2
304.10541	0.6
305.07333	0.4
306.06546	0.5
308.07855	0.6
322.08093	1.3
327.58582	0.5
348.07654	1.3
366.08459	4.3
368.61807	0.7
369.11337	3.2
424.12915	0.4
451.13806	100.0
452.14090	5.2
469.14758	1.4
643.91895	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00245	2.3
53.03880	3.0
55.05442	9.4
56.04956	1.6
57.03367	13.3
57.11672	1.3
59.04921	2.0
59.09404	1.2
60.04447	2.6
65.03860	3.4
67.05428	99.3
69.03350	29.9
69.06969	2.5
70.06510	29.7
70.99095	1.3
72.08075	15.7
72.14990	1.8
73.02823	9.2
74.05993	2.4
75.04389	2.8
79.04962	3.0
79.05411	88.7
81.03351	3.2
81.06971	69.0
84.04421	10.2
84.08064	15.3
85.02823	32.7
85.06470	2.2
86.09653	10.7
87.04390	17.4
91.05399	26.3
91.30648	1.5
93.06982	2.1
95.04888	3.1
95.08529	1.9
97.02823	23.0
98.97492	2.0
102.05515	2.3
105.06967	13.2
107.04924	2.4
107.08539	75.8
109.06487	10.7
109.10106	100.0
110.07101	5.9
110.97424	1.5
113.77179	1.6
115.03881	19.1
116.07036	15.6
116.98588	3.1
119.08521	2.2
120.08064	12.6
125.02329	2.3
125.09579	7.2
127.03851	2.4
128.23792	1.3
129.10159	11.0
133.02800	2.3
133.04938	26.3
137.05963	11.8
144.04497	1.8
145.05003	2.0
172.03899	2.3
179.05432	8.3
181.04797	1.6
193.04866	20.6
237.02832	1.9
253.01550	1.7
263.13889	5.9
287.14838	6.2
467.70798	1.7
489.22278	1.7
511.19086	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	4.4
54.14731	3.4
55.01792	4.7
55.05441	27.0
57.03366	7.9
58.99524	7.9
67.05418	25.3
69.01008	4.6
69.03342	7.2
69.06983	23.8
70.06506	41.4
71.04870	6.1
72.08056	9.9
74.76812	3.2
75.85280	3.2
76.02138	89.0
76.93123	3.2
79.05403	48.8
80.67867	3.4
81.03329	7.6
81.06981	81.2
83.04884	8.3
83.08533	7.8
84.04429	40.9
84.08049	33.9
85.02854	4.1
86.09612	38.6
86.98962	5.1
91.05408	36.6
93.06971	23.8
95.04867	48.0
95.08527	8.3
97.10084	6.1
103.05350	4.7
105.06953	25.9
107.04855	5.1
107.08558	15.5
109.06434	8.0
109.10100	6.7
110.07097	7.5
112.06536	3.8
116.01627	22.1
117.06943	31.7
119.04810	4.3
119.08536	50.9
120.08055	10.2
121.06444	19.0
121.10102	6.4
123.08027	5.0
129.04633	4.2
129.06975	6.8
129.10197	16.2
130.04951	9.1
131.04910	4.7
131.08502	8.0
133.06380	3.6
133.10091	4.9
135.08040	4.2
137.05936	5.2
142.03204	8.9
143.08459	5.4
144.01155	7.4
145.10072	22.8
147.08040	32.6
150.10626	4.4
153.03566	4.6
161.06053	4.9
161.09641	4.5
162.02116	41.0
165.09056	5.9
175.11177	4.7
179.04816	48.9
205.12109	5.2
233.05853	13.9
273.18488	18.7
291.19464	100.0
308.09027	64.2
442.51602	4.4
472.60013	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	616.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	6.4
57.03366	3.8
57.07006	3.2
67.05422	3.8
69.06989	8.3
71.08536	1.5
79.05403	5.1
81.03345	1.5
81.06969	4.9
83.08536	3.3
85.16238	0.8
86.09612	1.0
91.05402	1.6
93.06968	3.7
95.04917	1.4
95.08521	4.2
97.02834	3.7
97.06449	1.3
97.10078	3.3
98.98391	3.7
103.05402	3.7
105.06963	25.5
107.04884	6.6
109.10117	1.4
115.05376	1.5
119.04913	1.4
121.06418	2.8
121.10092	2.0
123.04383	4.0
124.05153	1.0
131.04872	1.2
133.06448	20.5
133.08548	0.9
135.08012	9.6
135.11618	1.4
137.05972	6.1
139.27843	0.8
140.77411	0.9
149.05917	1.8
150.06712	1.4
152.04668	1.0
155.00998	3.2
161.05934	14.3
163.07512	8.1
165.05531	1.0
165.09119	3.3
167.06982	100.0
168.07332	2.8
178.09859	4.6
188.09105	1.1
192.07759	33.9
192.09436	1.4
193.08545	87.2
194.08972	2.9
195.10068	1.7
206.09314	3.1
220.20305	0.9
221.11685	9.8
248.54272	0.8
265.24857	1.1
313.27344	1.9
339.28864	17.2
370.82086	0.8
419.25357	2.0
425.50800	0.8
485.66086	1.2
532.30591	0.9
560.38092	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02169	0.6
54.81689	0.8
55.01822	1.5
55.02131	0.8
55.05449	1.1
56.96496	4.2
58.57884	0.7
59.50426	0.7
59.81058	0.6
60.08081	5.3
64.92686	0.7
67.05415	5.8
69.06980	1.1
72.54585	0.7
78.69683	0.9
79.05411	8.3
80.27477	0.7
81.06969	5.5
83.08505	0.9
86.09635	12.8
90.11437	0.7
91.05397	4.0
93.06915	1.3
95.04891	4.8
95.08516	4.9
96.08829	0.8
98.98395	1.8
103.05390	5.5
104.09995	1.9
104.10680	53.0
105.06963	11.7
105.11050	1.7
107.04896	84.8
107.08518	1.1
108.05230	1.7
109.10110	1.7
115.05385	6.3
117.06979	1.6
120.05645	1.4
123.04390	1.9
124.05199	1.2
125.05964	1.3
130.07733	0.9
135.08023	26.7
139.03871	1.0
143.08536	1.2
145.10097	5.4
147.04381	1.3
152.04671	1.0
154.06227	7.2
154.94188	1.0
163.07503	32.9
167.06995	48.1
172.95238	1.5
173.09601	8.5
180.07761	8.5
181.08604	4.6
190.96266	5.0
195.10124	100.0
196.10458	3.9
198.96791	7.0
201.09058	11.0
216.97844	12.0
220.04686	0.8
233.11639	5.3
235.07210	0.8
251.12669	3.5
279.69809	0.8
317.17868	10.0
335.18973	7.7
337.27380	1.1
338.27682	4.9
339.27768	1.0
356.52002	0.9
362.39536	0.8
381.57077	1.1
387.17834	4.2
471.18298	1.2
472.18143	1.1
477.58713	1.0
488.30859	0.9
500.24399	3.4
556.26514	5.3
616.28882	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	616.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46475	0.6
53.00253	0.9
53.03872	1.4
55.01799	3.5
55.05442	10.2
55.30481	0.6
57.03376	5.8
57.07003	1.9
61.02851	8.2
67.05410	1.1
69.03005	0.9
69.03346	17.2
69.06985	14.7
70.06160	0.9
70.06505	8.9
71.01227	1.0
71.04902	3.2
72.08054	2.9
73.02814	4.4
74.05975	0.8
74.25387	0.7
74.62228	0.6
76.02135	1.5
79.05386	1.2
81.03333	7.5
81.06957	3.6
83.08528	7.7
84.04406	1.8
84.08070	6.2
85.02823	90.1
86.09611	6.9
87.04371	1.4
88.03904	0.8
91.03862	3.7
91.05405	1.1
93.06947	1.8
95.08525	3.0
97.02224	1.2
97.02816	21.5
97.10098	8.3
99.04372	3.4
105.06953	3.2
107.08511	1.1
109.02826	7.3
109.10079	1.0
110.07069	3.6
111.11643	0.8
118.13786	0.7
119.08528	1.8
120.08098	1.4
121.06452	73.1
121.10065	1.1
123.11668	8.5
127.03859	21.2
129.10168	3.6
130.04916	0.9
131.08485	1.3
133.10072	3.1
135.08009	5.2
135.11630	1.1
137.05933	1.5
137.13205	4.3
145.04936	23.5
145.06500	1.8
145.10104	4.0
146.07147	1.0
147.08025	28.5
147.11685	1.0
149.09557	3.5
158.07217	3.6
159.08022	17.1
159.11705	0.8
161.09576	100.0
162.09920	1.9
163.06012	9.5
163.76248	0.8
167.06911	1.0
172.08748	1.6
173.09583	72.8
174.09962	1.0
175.11107	14.3
180.08653	1.5
182.13216	1.1
187.11128	26.7
189.12787	1.0
199.11063	1.1
201.12700	19.0
215.14343	2.7
244.13927	0.8
246.13942	0.8
255.17125	0.9
257.18927	94.3
258.19305	4.7
275.19946	4.1
308.08960	1.0
325.10895	3.0
615.42627	1.6
616.42303	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94602	1.7
54.81668	1.7
55.05438	1.7
56.96242	2.4
56.96501	53.8
67.05393	2.0
68.68304	1.9
71.95159	2.4
84.95937	3.3
92.98583	2.5
95.69279	1.8
98.96906	2.2
98.97519	66.6
112.99058	9.5
116.98563	73.0
119.04893	2.5
128.98567	7.9
131.00139	37.2
134.99632	64.0
143.00124	4.4
146.99591	9.5
148.49481	1.7
149.01204	71.9
153.00682	14.9
155.89659	2.4
158.01198	2.3
158.99606	23.8
161.01192	19.9
167.02257	23.5
168.95718	1.9
170.99593	3.9
172.02785	4.3
173.01213	3.3
177.00671	71.0
179.02151	2.7
191.00383	1.9
191.02223	9.4
195.01700	14.6
199.02744	3.5
203.02159	9.7
209.01346	2.4
217.03754	10.8
219.01720	9.9
227.02318	3.4
227.64748	1.8
233.03137	2.4
237.02733	8.3
275.04276	3.5
293.05383	30.6
311.06393	12.2
321.20868	19.6
339.21994	100.0
340.22421	3.6
357.23132	21.5
362.23431	4.5
381.22885	9.7
395.25085	2.5
471.60956	2.0
501.27145	4.4
557.29889	62.2
558.29822	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05433	19.3
66.92995	7.4
67.05418	49.7
69.03334	55.3
69.06980	34.0
70.06497	65.0
72.08067	17.8
76.02133	12.8
79.05401	33.6
81.06977	93.6
83.08543	10.9
84.04419	37.3
84.08061	62.8
85.02811	46.1
86.09620	43.2
88.16053	7.3
91.05400	34.9
93.06984	61.9
95.04865	15.9
95.08532	89.4
96.53899	8.1
97.02819	35.8
102.21870	8.7
105.06976	77.5
107.08525	73.9
109.10100	59.1
110.07070	9.5
111.07291	8.2
111.08024	17.0
115.03913	12.8
116.01668	10.1
119.08514	82.2
120.08031	14.0
121.10072	42.0
129.10182	13.4
131.08493	20.7
133.10103	65.7
135.11665	40.6
143.08389	8.6
145.10097	18.7
147.11678	33.4
149.13234	12.4
155.11525	9.6
157.10068	13.3
159.11670	36.4
161.13199	14.6
167.07002	14.9
171.11610	10.7
173.13205	19.7
175.14723	20.2
183.11562	9.9
187.14726	17.0
197.60930	8.3
199.14735	15.8
229.19385	73.1
269.22574	34.5
287.23618	100.0
322.18781	8.8
390.20908	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	618.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79909	0.5
52.90910	0.5
53.03882	0.5
53.25351	0.5
53.69959	0.5
55.01799	0.8
55.05449	1.3
55.41640	0.7
56.04966	3.8
57.03377	0.7
60.04447	3.0
62.80094	0.6
65.03855	0.8
67.05441	0.8
69.03368	2.1
69.06982	1.2
70.06506	28.4
71.06837	1.0
72.08067	13.6
73.60052	0.5
74.05983	1.6
76.56597	0.9
79.05412	4.6
81.06955	0.7
83.06040	1.1
84.04420	11.0
84.08062	18.0
85.02831	4.0
85.08418	0.9
86.09627	18.5
88.03922	1.1
91.05409	5.4
92.10270	1.1
95.04895	1.1
97.02830	2.5
101.07112	1.1
102.05466	5.0
103.05396	28.7
105.06998	0.8
107.04895	46.5
109.06479	1.1
110.07105	9.1
111.04391	2.6
115.08676	0.7
116.07018	0.7
119.04888	6.9
120.02094	0.6
120.07266	0.6
120.08022	6.0
121.02847	0.8
121.06468	1.3
123.04388	1.0
127.04905	0.7
129.10182	10.6
131.04890	100.0
132.05244	2.9
133.02818	6.7
133.06349	0.8
135.04376	16.7
136.05116	0.9
136.07542	3.4
137.05940	11.1
139.03874	19.3
143.11818	1.2
145.02859	0.9
145.03932	2.9
147.04391	3.4
149.02304	2.9
149.05981	1.5
151.03876	1.0
153.05397	0.8
155.08257	1.0
156.04163	5.1
161.05981	2.8
162.06586	0.9
163.03859	40.6
163.07501	46.5
164.04585	0.7
165.05421	1.0
166.06239	0.8
167.03406	1.1
167.06987	4.5
171.06453	1.5
178.04956	19.5
179.06985	2.7
180.04144	3.9
181.05058	0.7
182.05733	12.4
183.06511	1.1
183.08139	0.7
190.02586	3.3
191.03317	4.6
193.01299	1.1
195.06477	11.4
197.08011	14.1
199.05960	24.2
199.07631	1.3
208.03633	24.9
209.04385	1.0
217.04942	1.3
223.05963	60.3
239.06949	0.6
241.07001	40.3
242.07378	1.0
268.41193	0.7
340.10147	1.2
353.10071	1.6
363.14331	2.8
371.11200	3.7
389.12119	1.0
403.13632	1.2
411.19305	0.8
479.86313	0.7
610.77203	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03863	0.5
53.52431	0.4
55.01816	0.5
55.05434	0.9
56.04965	2.1
57.03373	0.6
60.04449	1.3
64.47855	0.5
65.03864	0.7
67.05403	0.8
69.03339	2.4
70.02879	0.6
70.06140	1.0
70.06508	23.4
71.06825	0.6
72.08061	8.0
74.05971	0.7
79.05401	3.4
81.03322	0.8
81.06986	0.6
83.05998	0.6
84.04408	6.3
84.08063	13.4
85.02824	4.5
86.05967	0.6
86.09144	0.8
86.09625	15.5
87.05502	0.8
87.10020	0.5
88.03891	0.9
91.05417	6.3
95.04880	2.0
97.02847	0.9
98.05904	0.5
100.97482	0.5
101.07056	0.7
102.05457	2.4
103.04731	1.0
103.05399	24.6
104.05242	0.5
105.06937	0.5
106.65694	0.5
107.04897	51.0
108.05737	0.6
109.02811	0.6
109.06464	0.8
110.07108	8.2
111.04394	3.6
112.08701	0.5
118.67512	0.6
119.04864	5.2
120.08046	3.6
121.02840	0.6
123.04354	0.8
127.03901	0.6
127.04915	0.7
129.10196	7.2
130.04991	0.6
131.04889	100.0
132.05270	1.0
133.02811	6.5
133.06412	0.7
134.03575	0.6
135.04376	18.0
136.05156	0.9
136.07553	2.4
137.05937	9.1
137.42366	0.5
139.03874	22.1
141.10201	2.1
143.11818	0.8
145.02809	0.6
145.03928	1.2
147.04370	3.3
149.02295	3.1
149.05920	1.2
151.03842	0.8
151.07457	0.6
153.01764	1.0
153.05421	1.1
156.04141	6.9
161.05885	2.8
162.03088	1.1
162.06667	1.2
163.03865	44.9
163.07503	42.2
164.04608	1.3
164.07933	0.6
165.05447	2.1
167.03360	2.4
167.07008	8.7
169.09702	0.8
171.06473	2.2
176.04811	0.5
177.05424	1.3
179.07039	4.1
180.04138	5.2
180.07648	0.6
181.04823	0.7
182.05698	12.5
183.06430	3.5
189.05498	0.9
190.02531	4.5
191.03352	5.5
193.01294	2.1
195.06483	15.9
197.08037	14.1
199.05963	26.5
207.02681	0.8
208.03630	23.9
215.13846	0.8
217.04947	0.8
223.05963	71.6
223.48103	0.5
224.06355	0.7
241.06987	38.8
283.09250	0.5
311.08972	0.7
343.11356	0.8
344.11530	0.6
353.10095	1.0
363.14304	0.6
371.11133	3.4
389.12292	0.9
403.13821	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22951	6.1
53.52863	6.6
54.81034	9.3
55.01816	6.1
55.05444	19.1
56.04963	10.8
57.07016	7.2
58.99517	15.7
60.06086	6.3
67.05415	33.7
70.02859	44.8
70.06504	40.2
72.08067	10.9
76.02141	78.9
78.47017	10.4
79.05405	9.8
81.06974	36.0
84.04427	51.4
84.08071	18.3
85.02829	11.2
86.09623	19.8
91.05389	33.7
93.06983	14.1
95.04891	17.0
95.08488	18.7
97.01028	14.8
99.05467	11.8
100.10270	8.0
105.06953	11.2
107.08543	32.8
109.10110	33.6
113.97438	7.6
116.01623	47.7
129.10184	10.6
131.08585	9.7
133.10051	14.5
136.78479	8.2
142.03093	8.9
144.01068	9.6
145.06055	100.0
151.11136	8.6
162.02200	16.8
163.11203	11.9
167.07010	10.8
179.04878	10.1
208.14479	8.6
275.20047	10.3
350.20966	9.2
398.46021	8.6
471.25195	64.4
618.29700	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	618.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75970	0.4
51.94004	0.4
55.05440	0.6
56.96502	4.8
57.02596	0.5
58.06501	0.8
59.26980	0.5
60.08091	7.2
66.59693	0.5
67.05445	0.9
69.06985	1.0
70.06515	0.6
71.07283	6.3
72.08057	0.7
76.54365	0.5
81.06952	1.3
81.32305	0.5
82.13242	0.5
86.09620	18.3
102.92538	0.9
104.10673	100.0
105.11023	0.6
107.08559	0.6
146.99605	0.6
154.94150	1.2
172.95206	7.5
180.95662	0.7
181.29066	0.5
190.96211	8.8
198.96742	16.2
210.96887	0.8
212.81967	0.6
216.97803	23.0
228.97775	4.1
234.98817	1.1
239.99434	0.8
319.19357	4.7
337.20395	22.2
338.20432	0.8
355.21375	1.3
360.21973	1.0
473.19678	5.3
499.21198	2.3
502.25995	5.6
558.28522	10.3
618.30682	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	618.382
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81739	1.1
55.05451	1.9
56.04964	8.4
65.68728	1.1
68.04961	1.5
69.03355	1.4
70.06506	12.7
72.08065	18.7
72.23050	1.2
74.05997	15.2
82.06491	1.4
84.04424	9.1
84.08067	100.0
85.02803	1.3
86.05974	6.5
86.09623	17.0
99.09979	1.2
101.07082	5.7
101.10690	1.8
102.05478	2.7
104.40962	1.3
110.07087	1.5
111.09122	2.2
120.22591	1.3
127.08620	1.6
129.09216	2.6
129.10196	75.6
151.08621	6.2
167.11742	1.8
177.08720	6.5
185.12785	2.1
187.14366	18.8
214.11844	1.4
215.13841	2.5
228.17000	6.1
230.14999	1.5
240.13286	1.7
258.14606	1.5
267.17966	2.0
329.21448	2.0
347.44440	1.5
353.21661	1.3
442.29633	1.7
618.29120	2.2
618.38171	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3984
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
55.05441	4.0
56.96491	1.4
57.06999	1.1
60.08085	1.0
65.03861	0.9
67.05416	4.7
69.06990	6.4
70.31128	0.7
70.76958	0.6
71.07284	1.2
79.05408	2.6
81.06970	9.8
83.08528	4.0
86.05985	1.1
86.09619	8.9
87.04437	0.7
88.93871	0.8
91.05400	11.4
93.06976	8.6
95.08527	15.5
104.06975	0.9
104.09995	1.3
104.10677	28.3
104.11361	1.2
105.06978	7.5
107.08535	12.7
109.10099	11.5
119.04081	1.2
119.04896	30.9
119.08517	14.1
121.10098	38.0
123.11669	4.1
131.08527	4.2
133.10080	13.1
135.11639	13.4
137.13179	3.3
139.44528	0.7
143.08452	0.9
145.10095	7.8
147.04381	100.0
147.11665	7.5
148.04709	2.8
149.13254	4.0
157.10097	1.5
159.11671	8.5
161.13229	9.9
163.14729	5.2
165.05411	7.8
171.11702	1.3
172.95230	4.9
173.13222	6.0
175.14755	8.0
177.16331	3.8
179.14253	6.6
187.14796	7.3
189.16344	6.3
190.13757	0.7
190.96263	5.4
191.17966	1.2
193.15906	1.1
198.96747	8.3
201.16371	4.7
203.17953	5.8
213.16222	1.0
215.17863	5.4
216.97809	14.6
227.17891	1.4
228.97806	2.8
229.19470	16.0
230.02405	0.7
231.21027	1.6
239.99205	0.8
241.19423	3.5
243.20999	2.7
255.21199	1.1
267.21060	1.1
275.19968	1.7
339.22037	6.2
351.30487	0.9
357.23260	0.8
391.33456	3.7
409.34531	7.7
437.34186	1.4
455.35083	7.1
475.21344	1.5
504.27325	1.5
560.30139	2.9
601.38647	2.7
620.32013	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	619.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05454	2.3
57.06996	0.6
65.03852	1.2
67.05418	3.5
69.06981	5.5
70.77400	0.5
72.13911	0.5
79.05394	2.8
81.06962	9.5
82.05898	0.6
83.08528	3.5
91.05405	19.4
92.10896	1.2
93.06968	6.2
95.08517	13.2
105.06953	8.2
107.08527	12.5
109.06485	0.7
109.10093	9.4
117.07010	0.8
119.04895	39.8
119.08538	15.1
121.10093	37.3
121.44627	0.6
123.04311	0.9
123.08009	1.3
123.11641	5.8
131.08485	4.2
133.10080	13.8
135.11661	15.0
137.13225	3.7
143.08569	1.1
145.10104	7.0
147.04382	100.0
147.11673	6.4
148.04756	1.2
149.13242	4.5
151.14757	0.8
157.10132	2.5
159.11627	9.2
161.13205	9.8
163.14781	3.9
165.05389	2.5
171.11658	0.9
173.13203	7.2
175.14757	6.0
177.16328	3.8
177.54156	0.7
179.14233	6.0
185.13222	1.3
185.19324	0.6
187.14742	7.7
189.16345	6.0
191.17969	0.9
193.15831	2.2
199.14778	1.2
199.44510	0.6
201.16302	2.2
203.17989	4.7
205.15875	1.0
211.63724	0.6
213.16299	3.4
215.17874	6.0
217.19553	0.8
225.16222	0.6
226.50534	0.6
227.17937	2.3
229.19482	19.4
231.13673	0.6
231.21045	2.5
239.17725	0.7
241.19476	2.4
243.20992	2.1
246.45009	0.7
255.20950	0.9
275.19925	2.9
391.33633	3.1
409.34729	5.5
437.33954	3.9
455.35138	8.3
456.35886	0.7
601.38287	2.4
619.43628	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	5.7
55.71230	1.1
56.96499	1.9
57.07002	8.5
58.44821	1.4
67.05416	6.5
69.06989	13.8
71.08566	5.1
79.05387	3.0
79.67042	1.3
81.06977	17.6
83.08530	7.0
85.10101	1.7
91.05402	12.5
93.06967	18.3
95.08528	28.5
97.10110	1.3
105.06963	11.6
107.08540	31.4
109.10105	11.7
117.06937	2.0
119.04884	38.7
119.08536	23.8
121.10085	15.0
123.11630	9.0
131.08548	6.9
133.10101	15.3
135.11659	18.1
137.13235	1.6
139.88185	1.3
143.08417	1.4
145.10081	11.0
147.04382	100.0
147.11667	12.8
148.04689	3.4
149.01205	10.7
149.13226	9.4
151.14769	2.6
156.03566	6.2
157.10091	2.2
159.11642	11.8
161.13222	10.6
163.14775	5.9
165.05438	17.5
165.12744	1.7
167.02254	5.8
171.11743	2.4
173.13229	6.2
175.14798	12.9
177.16345	5.3
185.13196	3.3
187.14758	8.0
189.16318	14.1
199.14696	1.5
201.16364	8.7
203.17952	9.0
205.79642	1.4
207.17461	1.8
215.17975	6.0
217.19484	1.7
229.19521	6.6
239.17842	1.6
241.19485	2.9
243.21025	9.0
255.21088	5.1
269.22522	2.4
271.45154	1.6
281.22644	1.8
289.21271	2.0
391.33383	8.1
409.34268	7.4
411.32477	6.1
437.34064	18.1
442.27551	1.9
442.77524	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	619.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	9.7
57.07006	2.0
65.03870	1.7
67.05421	10.2
68.85847	1.8
69.06989	18.3
79.05412	7.2
81.06985	25.4
83.08537	8.4
91.05414	18.3
92.64333	1.9
93.06977	21.8
95.08531	36.3
105.06981	18.1
107.08538	35.7
109.10105	12.0
111.10970	2.1
112.43539	1.9
117.07037	2.6
119.04897	38.5
119.08543	35.5
121.10111	26.4
123.11649	14.5
131.08568	4.1
133.10080	19.4
135.11685	24.5
137.13274	3.9
145.10115	14.8
147.04384	100.0
147.11665	13.0
149.13240	13.1
157.10091	2.4
159.11685	9.2
161.13264	12.1
163.14819	10.6
165.05470	4.6
171.11754	2.2
173.13214	12.6
175.14740	18.0
177.16364	6.8
187.14861	14.3
189.16354	19.0
201.16408	8.1
203.17953	14.4
215.18001	8.3
229.19516	3.6
243.20985	4.5
255.21051	7.6
257.22449	1.9
297.26007	2.1
301.21664	2.3
326.33371	2.2
391.33566	11.9
411.32126	2.4
437.33865	14.2
551.29828	2.0
565.38342	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29687	0.9
54.81635	1.0
55.05448	26.5
57.07015	2.0
63.52451	0.9
66.48668	1.0
67.05424	14.8
69.06979	13.5
70.06516	2.1
72.08066	1.0
77.22900	1.0
79.05400	4.3
81.06961	20.0
82.06511	4.0
83.04896	4.5
83.08530	20.9
84.08071	4.9
85.40120	1.1
86.09631	1.0
90.73494	0.8
91.05425	1.3
93.06979	7.5
95.08536	16.0
97.06455	1.4
97.10126	2.3
100.07546	6.8
100.11182	61.9
101.11549	1.6
105.06986	4.9
107.08556	5.3
107.99309	1.0
109.06480	4.4
109.10105	8.9
110.06019	2.0
111.04390	5.7
112.07555	1.4
119.08518	4.4
121.10094	2.6
123.11657	2.7
127.08650	1.2
128.07062	5.7
133.10089	2.0
135.11694	2.7
139.08670	2.7
147.11725	2.6
149.13258	6.2
161.13268	2.4
163.14827	1.5
179.14311	1.7
182.15378	19.9
209.16432	18.0
210.14862	12.4
221.12819	1.2
226.19150	5.6
228.16010	1.7
231.21101	4.7
248.23589	1.5
249.22017	2.7
266.24698	29.2
283.27362	1.6
292.81009	1.4
348.29004	2.7
375.29913	10.0
392.32776	7.5
393.30780	1.4
492.41568	5.6
543.12720	1.2
601.46747	9.2
619.47778	100.0
620.48358	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	619.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	31.9
56.78334	0.4
57.07009	3.1
66.08592	0.4
67.05421	14.8
69.06985	15.2
70.06509	3.2
71.08555	0.5
74.40566	0.5
74.53819	0.5
79.05395	4.1
81.06972	25.5
82.06492	6.7
83.04902	4.8
83.08539	22.7
84.08054	3.9
85.06476	2.0
86.09641	0.7
91.05407	3.1
92.10176	0.9
93.06980	7.6
95.04890	1.1
95.08528	18.4
97.06496	0.9
97.10101	2.0
98.09622	2.1
100.07543	7.3
100.11183	69.5
101.11520	0.7
105.06974	5.6
107.08536	5.5
109.06462	4.8
109.10101	10.8
110.05988	3.5
111.04378	9.5
112.07550	3.5
117.13886	1.0
119.08523	6.0
121.10085	6.5
123.11687	3.8
126.09134	2.6
127.08662	2.1
128.07021	6.9
129.05455	0.7
133.10109	2.7
135.11617	4.2
137.09596	0.7
137.13225	0.6
139.08653	3.1
140.07074	2.5
147.11671	6.5
149.13263	6.4
150.83412	0.5
161.13219	5.5
163.14865	1.0
164.14270	0.5
165.12717	1.0
175.14792	1.0
179.14297	3.1
181.05045	0.5
182.15363	25.1
183.15723	0.9
192.13817	0.8
196.16954	0.6
209.16457	19.7
210.14862	17.3
210.16713	1.1
226.19069	4.0
227.17480	0.6
228.15884	1.0
231.21075	4.9
248.23854	0.9
249.22081	5.5
265.26593	0.5
266.24701	33.0
267.25131	0.9
283.27426	2.9
332.29385	0.7
336.22824	0.9
348.28986	3.3
357.29227	0.7
363.54221	0.6
375.30045	12.5
376.28439	2.2
392.32611	6.6
458.37329	0.5
474.40884	0.9
492.41379	5.1
601.46722	7.9
619.47797	100.0
620.48035	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	620.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01786	4.2
55.05443	3.5
56.04963	20.9
58.99522	22.0
59.04913	14.4
70.06499	21.9
72.08051	7.1
73.02827	3.2
76.02136	100.0
76.03915	4.2
76.48392	2.7
81.06948	4.7
83.05986	4.1
84.04420	65.5
84.08064	18.0
85.01051	83.3
85.02814	5.4
86.00568	12.3
86.09617	17.8
86.98980	12.1
91.05408	4.1
92.10841	4.5
95.04866	3.7
102.03697	75.8
102.04816	4.3
102.05469	41.5
103.05402	3.8
105.06962	3.4
109.07620	3.2
110.07090	3.4
116.01623	46.9
119.96352	3.3
120.08043	11.7
123.85961	3.2
129.06586	5.9
129.10211	5.1
130.04961	18.5
135.11618	2.8
142.03171	13.0
143.02704	18.2
144.01123	16.3
155.08208	3.5
156.06483	7.4
162.02161	45.7
165.09056	6.1
168.04749	7.7
179.04782	69.8
182.10648	2.9
187.05441	5.5
188.03674	7.5
189.03244	17.9
197.09636	3.8
198.10390	5.0
205.06351	25.4
209.09544	4.9
212.08316	5.8
213.12695	16.7
215.10617	14.5
223.11095	4.2
224.11903	6.7
225.09050	4.5
226.09782	17.2
227.10580	4.9
228.07745	22.8
231.10136	13.4
233.05835	23.7
238.09772	4.0
239.14204	6.5
241.12132	17.0
243.10085	47.6
244.10706	4.4
252.11388	14.9
253.12122	31.0
255.09872	4.3
259.07266	4.4
259.13287	33.5
267.13794	29.8
269.11633	13.1
279.32578	3.6
280.10626	3.9
285.14825	5.5
291.06329	4.6
295.13223	24.9
308.09094	36.8
313.14264	31.5
325.13480	3.1
334.10541	14.2
348.96133	3.5
395.93484	3.5
482.93732	4.0
545.19165	14.5
620.22113	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	620.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81460	1.9
55.05447	3.0
56.04970	2.7
56.96492	2.2
58.99523	15.5
67.05425	7.4
69.03331	3.4
69.06984	2.9
70.06509	18.4
72.08072	4.6
76.02141	100.0
76.03925	2.1
79.05394	2.0
81.06956	9.4
84.04417	29.8
84.08062	11.9
85.02834	2.3
86.09612	17.4
86.98979	4.5
91.05393	10.4
91.53608	2.0
93.06968	11.2
95.04881	2.0
95.08525	4.6
97.02802	3.1
105.06979	18.4
106.28004	2.0
107.08525	4.8
109.06473	3.9
109.10091	2.7
110.07110	4.1
116.01591	25.6
119.08544	12.8
120.08077	2.8
121.10133	2.5
123.08015	17.6
123.55775	2.1
129.06944	2.5
129.10201	7.8
130.04955	10.9
133.10051	3.6
135.08072	3.8
137.05948	2.7
137.09567	9.9
142.03152	10.0
144.01120	12.7
145.10031	3.6
147.08017	9.8
147.11685	3.2
149.09595	4.1
157.10077	2.5
159.08006	3.6
161.09604	14.6
162.02158	35.1
163.11098	2.8
165.09068	35.0
166.09410	3.6
167.07092	2.1
169.10011	3.4
170.02664	4.6
171.11525	2.2
173.09599	4.2
179.04814	40.7
183.11644	3.5
213.12709	3.5
225.12680	2.5
233.05908	12.6
253.15799	4.3
271.16846	2.8
285.18195	2.1
295.16907	4.0
308.09079	50.9
405.32205	2.3
420.73721	2.3
459.96127	2.4
620.25958	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	620.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01792	8.2
55.05438	26.6
55.45648	4.5
56.04959	4.6
58.99508	20.5
62.32283	5.0
67.05428	36.2
69.03320	4.5
69.06981	20.3
70.06505	11.5
71.36271	4.2
72.08080	5.6
73.02820	6.9
73.62257	4.5
73.86771	3.8
76.02138	100.0
77.65034	4.6
79.05391	21.3
81.03328	10.5
81.06966	46.3
82.77499	4.1
83.08511	10.8
84.04419	31.2
84.08050	10.4
85.06469	7.0
85.10109	5.8
86.09613	10.5
91.05391	12.5
93.06960	29.8
95.04886	19.8
95.08509	25.1
105.06975	25.3
107.04872	6.2
107.08517	11.1
109.10069	7.8
110.07064	6.6
111.08074	4.8
116.01615	45.3
119.08480	8.4
121.10089	11.8
123.11666	8.3
127.17130	5.4
129.06776	5.1
130.05022	5.2
133.10083	7.9
137.09558	6.5
142.03204	6.5
144.01059	8.8
147.11626	7.0
162.02158	43.8
165.09070	34.3
165.12694	9.4
179.04826	46.1
188.40616	5.9
275.03687	5.3
277.21539	23.3
278.21747	5.4
295.22595	72.0
308.08963	29.6
352.23102	6.4
473.26370	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63548	0.5
56.96486	3.1
58.06545	0.8
60.08093	9.1
70.06506	0.8
71.07274	3.7
72.08065	1.2
76.56118	0.6
79.76405	0.6
86.05988	2.4
86.09139	1.0
86.09618	18.0
87.04385	3.6
102.92554	1.1
104.07023	3.0
104.10673	100.0
117.28421	0.7
123.47186	0.6
154.94151	2.5
172.95172	8.7
180.95650	1.3
190.96265	8.9
198.96736	24.6
210.96786	0.9
216.97797	34.6
216.99878	1.2
221.98203	0.8
228.97789	3.3
236.98119	0.7
239.99445	0.6
246.98888	1.0
300.05389	0.7
313.78558	0.8
321.20947	2.6
339.21988	12.7
357.22943	2.6
475.21036	3.8
501.22614	2.7
504.27271	3.5
545.34052	0.7
560.29962	8.0
588.99792	0.7
620.32147	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	620.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11963	1.6
52.78013	1.5
53.03888	14.8
55.01813	37.7
55.05457	26.9
57.00468	1.5
57.03365	11.0
57.06995	3.4
60.06105	1.9
61.02851	3.2
63.56953	1.8
65.42743	1.7
67.05077	3.2
67.05425	83.4
69.03006	3.3
69.03350	59.9
69.06982	21.9
71.04903	19.1
73.02815	11.5
73.06448	1.7
79.04974	1.9
79.05415	58.5
81.03339	70.2
81.06974	75.0
83.04903	2.6
83.08522	12.0
85.02828	31.6
91.05400	24.3
93.06438	3.0
93.06972	65.5
95.04905	3.9
95.08536	63.2
97.02827	57.0
97.10085	3.2
97.20640	1.8
99.04387	91.9
99.54288	1.9
101.02317	7.8
105.06966	23.7
107.08542	30.3
109.02155	2.9
109.02834	53.4
109.10116	28.4
111.04377	7.2
117.06960	7.5
119.08533	21.3
121.10095	27.2
123.11642	9.3
127.03882	100.0
129.05417	1.8
131.08553	13.8
133.10080	10.2
135.11661	16.4
142.12869	1.9
145.04929	11.6
145.10078	10.8
147.11655	10.7
149.13251	7.3
153.66977	2.1
159.11693	8.9
161.09381	1.8
161.13222	2.7
173.13194	3.7
175.14792	2.0
187.14688	3.0
203.05235	2.1
243.20955	3.6
259.20508	2.3
261.21936	16.8
277.21555	8.3
279.23279	2.2
283.01746	17.3
339.28851	4.1
357.23734	3.2
369.24066	8.4
387.25211	3.2
405.26129	10.6
423.27295	51.4
424.27316	3.6
442.16357	2.2
621.29370	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43492	1.7
53.03871	3.9
55.01809	18.9
55.05453	20.7
56.96523	2.6
57.03375	21.8
57.07010	3.4
59.04947	2.1
59.47166	1.8
65.43451	1.7
67.05424	48.1
69.03347	79.8
69.06979	14.3
71.01265	2.3
71.04894	5.1
73.02831	5.3
77.16340	1.9
79.05408	37.3
81.03329	27.0
81.06978	55.8
81.42669	2.0
83.04902	2.4
83.08543	10.0
85.02830	100.0
86.09613	3.5
88.65775	2.2
89.11623	2.3
91.05423	27.8
93.06963	47.3
95.04890	10.8
95.08526	37.0
97.02818	34.2
97.06449	2.1
97.72266	2.3
99.04372	10.8
101.02275	8.1
105.06976	28.8
107.04913	2.9
107.08545	26.8
109.02823	10.1
109.06438	2.7
109.10114	19.7
110.07100	3.0
111.04428	3.3
117.06941	17.5
119.08544	25.5
121.06493	2.3
121.10120	19.5
123.11617	8.3
127.03875	50.7
129.06976	10.6
131.08522	21.3
133.10092	20.5
135.11641	9.1
143.08525	9.6
145.04950	14.7
145.06543	2.5
145.10085	17.5
147.08008	2.6
147.11653	12.9
149.13220	10.8
157.10117	5.0
159.08011	4.2
159.11690	9.8
161.13170	4.5
171.11633	3.2
173.13246	5.4
180.08704	4.0
183.11684	2.9
185.13187	4.1
193.65422	2.4
194.41069	2.3
197.12990	2.8
261.22086	10.2
262.61694	2.5
263.20004	2.1
277.21579	3.7
283.01868	3.6
289.21686	3.6
303.23157	4.8
315.23071	3.5
316.37427	2.5
319.22433	2.6
341.24753	2.7
351.23108	4.3
369.24167	21.8
387.25302	26.3
405.26379	31.6
423.27356	10.9
523.32483	3.3
620.25189	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	620.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34053	15.4
52.85468	18.4
68.30195	21.0
70.15368	16.8
75.22037	23.7
77.24902	19.4
81.06958	33.1
93.06949	21.1
97.23247	25.8
140.17963	23.0
291.19244	100.0
291.41101	22.8
323.95901	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61287	0.5
55.05439	0.8
58.83770	0.5
63.04617	0.6
65.03857	9.0
67.13890	0.6
69.03339	0.7
69.07001	0.8
70.06479	1.1
83.08529	0.8
86.09628	3.6
87.73593	0.6
95.08569	0.8
95.55322	0.6
104.10670	11.1
110.07175	0.7
111.04448	0.9
121.02840	3.9
139.03864	6.0
147.04449	1.4
149.02319	100.0
149.03392	8.8
150.02670	1.5
175.03951	1.2
177.05453	1.2
193.04918	36.3
219.06586	2.8
237.07655	4.5
241.28407	0.7
257.44580	0.8
265.00940	0.8
266.62167	0.8
283.01877	2.6
311.50916	0.8
341.06726	1.2
385.09286	3.6
429.11786	1.6
441.23849	1.1
474.20181	0.7
577.13110	7.0
621.16058	32.1
621.29889	6.8
622.16412	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	621.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37688	0.7
53.03902	1.1
53.26301	0.8
56.96238	1.8
56.96497	30.1
57.03369	1.3
61.02831	0.9
69.03340	2.3
71.04944	0.9
73.06449	3.6
81.03306	2.0
84.95956	14.0
85.02815	13.4
86.09622	2.0
92.10074	1.0
95.04901	1.7
97.02812	7.9
98.97506	42.5
98.98381	10.6
102.96996	1.3
110.97495	8.3
116.98569	44.3
123.04407	1.7
124.88659	0.8
124.99074	1.5
127.03831	4.4
128.97685	1.5
128.98564	28.6
131.00130	1.4
134.99619	31.5
140.13719	1.0
140.98619	2.3
143.00143	19.2
145.04886	4.6
146.99622	50.1
147.03224	6.1
147.04318	1.4
147.11913	1.0
149.01149	1.6
152.98543	7.4
153.00665	4.6
158.99600	17.9
161.01186	47.7
162.99123	1.4
165.00700	13.3
165.04312	1.7
168.51778	0.9
170.01233	1.3
170.99622	23.2
175.02731	4.5
177.00661	32.5
179.02271	11.8
183.06552	1.5
188.28372	1.0
189.00677	16.7
189.04301	5.2
191.02428	1.1
193.03790	1.7
195.01738	6.2
197.04832	1.3
201.00641	9.3
201.04320	13.9
213.00732	1.0
213.04321	4.4
215.05901	9.4
219.01698	29.2
219.05316	3.8
231.05482	1.5
237.02763	81.9
243.05252	1.3
255.03671	7.7
260.04327	1.5
264.03888	1.7
273.06366	5.0
279.07324	1.4
291.07449	12.6
300.07538	1.6
318.08511	38.1
333.08554	1.2
360.09561	100.0
361.09879	4.1
561.19220	5.4
616.52759	0.9
627.20160	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04960	0.1
60.91941	0.1
66.90401	0.1
69.03333	0.2
70.06501	1.5
72.08065	0.4
72.88509	0.1
74.01923	0.2
74.02342	3.9
76.32127	0.1
84.04416	0.7
84.08076	0.9
85.02812	0.5
86.09631	0.5
90.67986	0.1
91.05389	0.2
92.10312	0.2
98.97530	0.1
103.05400	0.1
109.07230	0.1
110.07088	0.6
116.98571	0.1
117.06927	0.2
123.04366	0.2
128.04903	0.1
129.06976	0.1
129.10178	0.3
130.04970	0.2
130.06468	1.4
131.04897	0.2
132.08049	0.9
134.99590	0.1
136.07552	0.2
137.05913	0.6
139.03864	0.1
143.07259	0.8
144.08049	100.0
145.06538	0.2
145.08409	2.9
145.09537	0.1
146.06042	0.2
146.09633	0.1
154.06482	0.2
156.08026	0.6
169.07565	0.4
171.09125	2.4
172.07497	0.6
173.10666	0.6
183.06429	0.2
188.06982	0.8
217.09671	25.8
218.09920	0.9
234.93089	0.1
448.19504	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	621.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46147	1.8
63.35302	2.2
70.06508	4.6
79.05413	1.9
84.08064	4.9
86.09603	2.7
104.10665	5.2
165.09052	3.1
213.62280	2.2
220.25970	2.4
293.25485	2.3
354.93515	2.3
426.16373	2.9
621.26550	100.0
622.26904	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	621.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42120	1.9
55.01802	1.9
55.05223	2.0
55.05446	33.3
57.03355	10.4
57.06993	10.5
67.05424	24.4
69.03348	3.9
69.06980	30.9
70.06498	3.7
71.04888	2.7
79.05400	11.8
81.03334	2.9
81.06959	20.4
83.08532	21.2
86.09604	2.8
93.06983	16.0
95.08516	24.9
97.06439	2.4
97.10091	10.2
99.04380	3.6
107.08521	8.3
109.10077	4.4
121.10065	12.1
127.03866	4.9
135.11650	2.9
149.13144	2.4
203.05199	11.5
214.17186	2.0
283.01825	100.0
283.04996	3.2
339.28867	30.0
558.30145	2.4
621.29749	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	621.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00259	1.1
55.05441	2.4
55.62888	1.1
56.25896	1.0
57.07009	79.2
59.32129	1.1
61.82544	1.0
65.03841	1.3
67.05435	1.9
83.04894	14.1
85.53178	1.2
91.05415	9.6
92.10294	2.0
95.04895	1.6
95.08553	1.4
99.18600	1.3
105.06943	5.2
112.88916	1.1
117.06974	2.0
119.08540	5.5
128.06194	4.7
129.06963	3.0
131.08514	5.8
141.06955	18.8
142.07745	2.2
143.08578	9.1
144.05676	1.7
147.02036	16.7
147.08015	1.5
147.11647	24.7
159.08032	19.1
165.03091	2.0
175.01526	8.0
175.02968	2.0
187.03059	6.2
193.04143	1.6
195.05592	1.4
205.04106	6.7
211.05157	2.1
213.16341	3.0
215.14235	11.4
223.05141	100.0
224.05530	1.5
232.88203	1.5
239.04497	1.6
239.08195	1.5
241.06178	17.3
241.19641	1.8
243.17284	2.6
244.64075	1.5
244.99776	4.5
271.20428	14.9
273.82584	1.2
279.11334	25.4
297.12436	5.1
321.02771	2.5
335.17673	15.4
397.05795	6.3
433.15002	2.7
453.12103	15.2
474.69980	1.4
509.18390	51.2
565.24768	17.2
621.30859	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42820	4.1
55.05445	20.7
58.77398	4.9
61.29140	4.8
61.54919	4.6
67.05416	22.9
69.06992	28.0
70.06510	7.1
74.13380	4.7
79.05403	20.6
81.06966	25.5
83.08530	8.9
91.05434	8.3
93.06975	6.1
95.08532	10.4
97.10092	6.0
99.96478	5.3
103.38013	4.7
105.06950	5.7
107.08510	8.1
109.10020	5.6
114.37512	4.8
116.39494	5.5
168.17451	7.9
187.15660	5.1
198.14714	7.2
340.28354	8.4
509.86334	5.0
514.76782	4.9
620.52362	9.3
621.37048	100.0
621.52631	9.8
622.38519	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	622.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34884	0.6
52.89910	0.5
53.03866	0.5
55.01797	0.8
55.05446	2.7
57.03355	0.7
57.07006	0.5
58.99258	0.8
58.99518	14.8
65.27778	0.5
67.05418	3.0
69.03340	1.0
69.06982	4.0
70.06512	5.0
71.04896	0.6
72.08051	0.9
76.02139	100.0
76.03908	2.9
79.05402	5.0
81.06970	3.1
81.98359	0.5
83.04900	1.3
83.05986	0.7
83.08521	0.7
84.04423	23.3
84.08060	1.2
85.02818	3.2
86.09618	2.2
86.98981	4.0
88.02145	1.1
91.05412	8.5
93.06973	10.4
95.04872	2.6
95.08527	4.0
97.06444	2.2
102.05469	0.6
103.05367	0.6
105.06351	0.9
105.06980	14.7
106.07148	0.5
106.59752	0.6
107.04868	0.6
107.08538	9.1
109.06431	2.9
109.10084	2.9
111.08025	1.0
114.03699	0.8
116.01620	25.5
117.06948	3.3
119.08530	19.4
120.08063	1.0
121.06461	3.4
121.10098	16.9
123.08007	4.1
128.06200	0.7
129.06953	2.9
130.04964	10.0
130.05859	0.8
130.07724	0.8
131.08521	10.9
133.10104	10.1
135.08028	10.1
137.09586	2.3
142.03203	11.0
142.07758	3.0
143.08540	6.6
144.01128	14.4
144.09299	0.9
145.10091	12.5
145.54347	0.6
147.08018	14.8
147.11658	2.7
149.09615	7.9
155.08505	3.1
156.09285	3.2
157.10095	7.2
159.08032	4.0
159.11642	5.2
161.09569	10.8
162.02167	41.7
167.08591	0.8
167.10565	0.9
168.09279	1.4
169.10097	4.5
170.02693	3.8
171.11644	7.3
173.09543	4.1
173.13237	6.3
175.11101	3.1
179.04813	49.8
179.08386	0.9
180.09355	0.9
181.10001	2.3
182.10918	0.9
183.11650	5.3
185.09543	2.5
185.13190	3.0
187.05350	2.9
187.11124	2.1
187.14774	3.4
188.03732	0.6
189.12706	1.0
193.10098	0.8
194.10883	0.8
195.11723	4.0
196.12433	0.6
197.13196	6.1
199.11151	3.4
199.14746	2.1
201.12747	5.8
207.11713	0.9
208.12233	1.0
209.13213	2.4
210.13884	0.8
211.11208	0.8
211.14763	2.3
213.12831	1.8
213.16302	2.3
215.04837	2.4
215.14247	4.2
225.12682	1.1
225.16379	0.7
227.14227	1.3
227.18007	0.9
233.05829	13.8
235.14796	0.9
236.15695	0.9
237.16237	1.4
241.15810	0.7
241.19370	0.8
245.05859	3.2
249.12645	0.8
251.17831	3.0
253.15739	0.6
255.17339	3.0
269.18936	3.9
279.17377	2.6
291.06232	2.6
297.18457	9.5
304.16135	0.6
308.09036	67.8
309.09207	0.8
315.19495	16.5
411.15509	0.6
493.23370	1.2
547.24274	1.0
622.18787	0.8
622.27893	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	622.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31610	0.8
54.81774	1.0
55.01801	1.4
55.05436	6.2
56.04961	5.1
57.03352	1.5
58.59751	0.9
58.99514	15.3
61.01068	0.9
67.05424	3.7
69.03351	2.4
69.06979	6.3
70.06505	30.6
71.06824	1.0
72.08070	13.4
74.04807	0.9
74.05981	1.3
76.02135	100.0
76.03899	2.5
76.56229	1.2
79.05397	5.3
81.06968	7.2
83.04907	2.1
83.06008	1.6
84.04419	30.1
84.08057	21.4
85.02801	7.3
86.09622	19.4
86.98966	2.1
88.03903	1.2
91.05408	11.1
93.06966	13.0
95.04879	4.8
95.08537	8.1
97.06436	2.0
101.07066	1.4
102.05481	2.3
103.05388	4.2
105.06969	17.2
107.04852	1.8
107.08515	11.6
109.06458	4.8
109.10097	5.0
110.07104	7.0
111.08069	3.6
112.67207	1.0
115.08688	1.1
116.01627	27.1
117.06940	1.9
119.04904	1.7
119.08530	23.3
120.08037	6.6
121.06481	1.6
121.10072	19.3
123.08011	5.3
123.11597	1.1
128.06100	1.1
129.06876	1.7
129.10216	9.5
130.04979	11.3
131.04880	6.8
131.08524	10.2
133.02733	1.2
133.06468	1.3
133.10077	13.9
134.99588	1.0
135.08005	10.0
135.11620	1.3
136.07553	4.6
137.05963	2.1
137.09572	2.5
141.04752	1.2
141.10159	1.2
142.03181	11.0
143.08502	7.0
144.01103	12.9
145.10085	11.2
146.02765	1.1
147.08018	19.2
147.11658	4.2
149.09557	10.0
155.07025	1.4
155.08467	4.2
156.09381	2.4
157.10080	10.5
159.08029	3.9
159.11665	6.2
159.29639	1.1
161.09546	7.8
162.02159	37.7
163.07510	1.2
167.06985	4.0
167.08315	1.1
169.10037	5.7
170.02646	1.9
171.11598	8.8
173.09581	5.9
173.13214	8.7
175.11055	3.5
179.04807	49.4
181.10083	4.2
182.10844	2.2
183.11644	7.2
185.09395	1.7
185.13165	4.0
186.10341	1.2
187.05316	1.4
187.11140	1.5
187.14738	4.6
193.04800	1.6
193.09955	1.2
194.10786	1.0
195.11632	2.5
197.13138	7.0
199.11102	5.4
199.14856	1.7
201.12686	9.1
207.11526	1.4
208.12384	1.3
209.13272	1.5
211.14751	1.5
213.12769	2.1
215.04802	3.7
215.14244	5.5
221.13330	1.4
225.16153	1.2
227.14189	1.3
227.17908	1.3
233.05833	14.1
237.16386	2.0
239.14423	1.6
241.15981	1.1
245.05873	2.4
251.17860	1.9
255.17398	1.8
269.18875	4.8
279.17288	4.4
284.91229	1.1
297.18530	12.3
308.09027	63.2
315.19537	18.7
493.23410	1.6
493.45410	1.1
547.24805	1.5
622.28131	11.9
646.20258	1.2
650.93420	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03874	7.5
54.81811	1.8
55.01801	10.3
55.05451	18.1
56.96488	4.0
57.03361	8.9
57.07000	7.3
67.05078	3.3
67.05430	85.8
67.15599	1.7
67.57020	1.9
69.03334	12.3
69.06990	25.2
71.04893	10.4
73.02804	3.8
76.56374	1.9
78.68671	1.8
79.05402	22.7
81.03322	10.3
81.06511	3.9
81.06970	90.0
83.08540	16.9
84.95957	1.9
85.02797	13.7
86.09574	2.4
91.05390	12.9
93.06972	26.4
95.04913	3.4
95.08527	71.1
95.19016	2.0
97.02818	100.0
97.06473	2.5
97.10069	9.2
98.97550	2.4
99.03806	2.4
99.04394	37.6
105.06955	12.1
107.08513	10.5
109.02820	11.2
109.10099	26.4
117.06985	1.9
119.08499	9.2
121.10089	11.7
123.11624	10.5
127.03883	28.0
133.10097	9.6
135.11702	4.5
137.13167	3.1
145.04936	19.1
147.11661	9.0
149.13193	2.9
152.47112	2.2
161.01248	2.7
161.13222	4.0
163.14702	4.0
175.14725	2.8
179.49228	2.2
189.16235	2.2
201.00658	2.4
216.07587	3.5
217.08273	2.5
245.22560	10.7
246.76657	2.2
263.23627	29.1
310.04626	2.1
340.22214	4.1
377.76828	2.5
389.26898	2.5
425.28876	47.0
437.83615	2.3
530.94397	2.2
622.26532	40.7
623.25989	3.6
631.84808	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	14.1
53.07772	1.0
55.01588	1.3
55.01814	24.7
55.05447	24.1
55.35791	0.9
55.87586	1.1
57.03366	9.7
57.07005	5.7
61.02833	1.7
63.94446	1.4
67.05427	69.4
69.03349	54.6
69.06985	23.2
71.04906	17.6
73.02829	13.1
78.14996	1.3
79.05409	22.1
81.03336	63.7
81.06509	2.8
81.06974	71.3
83.04917	4.6
83.08543	12.9
85.02829	24.5
85.06463	1.9
86.17099	1.5
91.05410	15.3
93.06970	25.8
95.08530	55.5
96.36098	1.3
97.02824	52.8
97.06461	2.7
97.10075	6.2
99.04385	82.8
99.08003	1.6
101.02288	3.1
105.06947	7.1
106.55724	1.3
107.08543	14.6
109.02832	43.8
109.10114	22.4
111.04380	6.6
115.03895	1.4
119.08520	8.1
121.10070	9.9
123.07987	1.8
123.11649	10.4
127.03873	100.0
133.10081	9.5
135.11662	7.7
137.13210	2.2
145.04962	15.0
145.10150	2.2
147.11633	7.8
149.13248	5.0
161.13268	5.2
163.14760	2.6
175.14789	1.9
201.28476	1.4
245.22551	7.1
261.22162	5.6
263.21170	1.5
263.23672	13.3
270.65952	1.4
279.23126	2.6
341.24728	1.6
359.25739	6.3
371.25708	10.2
389.26535	5.3
407.27609	15.9
425.28830	39.1
426.28992	3.1
431.67886	1.5
457.08142	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86309	6.0
52.06688	7.9
54.82092	6.9
55.05462	8.0
73.03194	7.7
81.06972	14.6
83.08539	12.3
91.05413	12.5
97.10069	14.1
109.10171	9.9
141.63028	8.3
153.09119	12.9
158.48688	8.8
198.35202	7.9
232.80199	9.4
275.19870	12.7
293.21005	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3183
Annotation	Delavayin B
Peak:m/z	Relative Intensity
55.05443	0.8
56.04973	7.2
57.03337	0.4
60.04446	1.1
67.05414	1.3
69.03323	0.5
69.06982	0.8
70.02866	0.6
70.06503	92.5
71.06828	0.7
72.08065	6.3
74.05991	1.1
79.05399	1.0
82.06492	1.2
82.95477	0.5
84.04419	5.7
84.08059	100.0
85.02815	1.0
85.08367	1.8
85.65263	0.5
86.09617	8.6
87.71291	0.5
91.05398	8.1
94.06487	1.3
95.04881	0.7
96.08068	2.3
97.07578	3.1
98.05984	1.9
98.97514	2.7
101.10709	2.3
102.05476	1.1
103.05390	18.4
105.03314	0.6
105.06970	3.9
107.04877	0.9
109.07596	0.7
110.07108	3.1
111.09138	5.3
112.07560	0.8
115.05383	0.7
115.08637	5.3
116.04889	0.8
116.07038	3.1
116.98556	3.6
117.03287	0.6
118.06480	10.7
119.04910	2.9
119.07354	0.7
120.08047	8.2
121.06513	0.5
125.07055	9.2
129.10193	21.5
129.11111	1.0
130.06519	0.8
131.04878	28.6
132.05251	0.7
132.07997	0.9
133.02818	5.6
133.06380	2.2
134.99625	2.3
135.08054	0.9
136.07515	6.5
137.05945	4.9
137.06975	1.4
139.08621	1.1
141.10123	0.5
142.06546	0.6
143.08194	0.5
144.08044	0.6
145.02768	0.7
146.05984	18.4
146.07188	2.5
147.04396	0.7
147.07649	0.6
149.05974	0.6
149.07092	0.9
151.07478	0.7
152.08141	0.9
155.08205	0.7
159.09238	0.5
161.05907	4.6
161.09595	2.7
162.05537	0.8
162.09088	0.6
163.07472	5.6
163.08624	0.6
163.12263	2.1
164.08168	1.1
165.05467	2.9
165.13843	7.2
166.09727	0.7
169.10014	0.7
170.05969	7.1
170.09647	0.9
172.11148	23.8
174.05473	0.7
177.00673	0.7
177.05415	1.1
179.07008	0.9
179.11823	0.9
181.13344	2.3
182.08066	2.6
183.06560	0.5
187.07585	0.7
187.12286	2.2
189.10265	1.9
190.68878	0.6
191.11798	3.6
192.12486	1.1
195.07945	0.8
201.10201	1.0
202.08609	3.0
206.12863	1.0
208.14435	3.3
209.12820	11.1
216.12555	6.1
217.09732	4.8
217.13315	3.2
220.14441	1.1
222.02057	1.0
223.07520	2.8
225.04988	0.6
226.15425	13.7
229.13506	0.9
233.09177	6.3
236.10687	3.6
240.03049	0.7
243.11366	1.9
248.13890	1.3
252.11247	3.1
264.06006	0.9
264.10294	0.7
265.08624	2.7
275.10089	0.6
279.09866	0.9
281.12296	0.6
282.11307	3.5
295.04794	0.7
308.17502	1.0
322.10818	0.6
336.16870	4.9
341.14944	2.3
353.15558	0.7
353.19528	4.3
371.20715	9.4
385.08994	0.7
426.16495	3.0
431.19431	0.7
461.14114	0.7
467.22794	0.8
495.22256	8.4
563.23370	2.3
577.15796	3.3
605.30701	6.5
606.29266	1.3
623.19873	4.4
623.31647	54.2
624.19861	0.5
624.32184	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	624.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63184	1.3
52.01289	1.7
53.03885	6.8
54.81691	1.9
55.01812	20.5
55.05449	31.4
57.03361	17.7
57.07010	15.8
59.04925	1.7
61.02850	4.1
67.05429	38.2
69.03350	79.3
69.06984	39.9
71.01286	1.9
71.04903	8.3
71.08539	7.8
73.02821	10.1
73.04313	1.5
79.05412	14.7
81.02911	2.4
81.03339	49.0
81.06969	46.8
83.04895	2.9
83.08538	25.0
85.02827	100.0
85.03352	3.3
85.06475	2.0
85.10130	2.5
85.64924	1.7
91.05398	8.4
93.06961	26.4
93.28534	1.8
95.04899	3.1
95.08531	41.0
97.02826	44.1
97.06437	3.2
97.10090	15.7
99.04371	11.5
101.02302	10.2
105.06964	12.3
107.04907	4.1
107.08537	18.1
108.04436	1.6
109.02818	13.6
109.06455	2.6
109.10093	13.9
111.04384	3.4
111.08020	3.6
117.06949	2.4
119.08548	14.8
121.06461	2.5
121.10104	21.2
123.04408	4.2
123.11660	4.1
124.50345	1.8
127.03874	55.5
131.08528	3.9
133.06450	3.6
133.10127	3.8
135.11630	13.5
137.13214	2.9
145.04930	17.4
145.10075	2.3
147.11713	2.5
149.13231	7.9
153.12770	2.6
157.10130	2.6
159.11557	2.6
163.14821	2.2
173.13171	2.2
180.08704	2.2
232.06779	2.2
248.46750	1.8
249.15028	1.9
265.25156	7.4
268.75259	1.9
323.25598	2.7
327.26804	2.8
345.27936	4.1
355.26416	3.2
361.27451	2.5
373.27319	26.8
391.28302	51.7
409.29398	58.6
410.29697	2.7
418.23450	2.0
427.30701	14.2
434.16931	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87648	1.3
53.03873	11.9
55.01814	25.7
55.05445	25.2
57.03361	11.6
57.06992	10.0
67.05425	36.6
69.03345	48.9
69.06984	40.1
71.04890	13.9
71.08533	3.5
73.02812	10.8
75.50717	1.9
79.05408	14.1
79.92594	1.6
81.03336	58.2
81.06977	37.7
83.08530	28.3
85.02829	25.2
91.05369	1.9
93.06975	25.6
95.08527	32.5
97.02826	46.0
97.06443	2.6
97.10094	14.7
99.04382	97.0
101.02323	1.8
107.08525	8.6
109.02821	48.8
109.10101	11.9
111.04363	2.7
111.11661	2.4
121.10098	16.3
127.02928	3.3
127.03870	100.0
135.11630	9.6
136.34831	2.0
145.04929	12.8
149.13248	6.7
206.47818	1.6
212.43402	1.7
247.24211	3.2
265.25296	14.2
314.65961	1.8
355.26544	2.4
361.27347	3.8
373.27203	11.1
385.22202	2.2
391.28299	7.6
409.29422	25.1
427.30515	55.8
448.87006	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	624.5189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05433	29.8
57.07000	26.0
58.24769	12.1
59.06047	14.7
67.05426	34.0
67.21651	13.8
69.06968	14.0
71.08549	19.3
73.77157	15.5
79.05412	19.1
81.06959	30.1
91.05411	16.4
93.06953	26.3
95.04886	28.0
97.10130	16.3
105.06948	28.9
119.08457	19.0
132.10115	22.6
153.08992	15.9
189.11086	15.9
245.19505	15.3
293.21121	100.0
310.30969	59.1
374.99884	19.4
605.92480	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.176
Annotation	isorhamnetin-3-rutinoside
Peak:m/z	Relative Intensity
50.32667	0.1
53.03878	0.5
53.33934	0.1
54.81926	0.1
55.00759	0.1
55.01795	0.1
55.05442	0.6
56.04972	0.1
56.96481	0.1
57.03370	3.1
59.04915	0.2
60.04446	0.2
61.02863	1.1
64.95561	0.1
69.03051	0.1
69.03354	1.9
69.06976	0.2
70.06506	2.6
71.01263	0.2
71.04908	14.0
72.05204	0.1
72.08067	1.4
73.02814	0.5
75.04387	0.7
75.71535	0.1
79.05393	0.1
81.03339	0.9
83.04890	0.8
84.04417	0.6
84.08064	1.6
85.02826	16.5
86.09626	1.2
87.04379	0.6
91.03910	0.2
91.05386	0.2
92.02538	0.8
93.03337	1.1
95.04845	0.2
97.02824	2.0
99.04363	0.3
102.05471	0.3
104.23618	0.1
105.06984	0.2
109.02808	0.6
110.07112	0.3
111.00733	0.1
111.04394	0.3
120.08030	0.5
121.02817	1.0
123.04328	0.1
124.05137	0.1
126.03083	0.3
127.03875	0.6
129.05449	1.9
129.10185	0.7
131.04895	0.2
133.06412	0.1
137.02332	0.2
137.05931	0.6
139.03874	1.0
145.04884	0.5
147.06509	0.3
151.03909	0.9
153.01794	7.4
154.02118	0.1
154.10899	0.1
161.05888	0.1
165.01758	0.7
167.06979	1.0
173.05930	0.1
177.05408	0.1
182.15404	0.2
183.02873	0.2
197.01259	0.9
198.01392	0.1
201.05414	0.6
203.03346	0.3
204.35210	0.1
217.04874	0.6
218.05629	0.6
224.41814	0.1
228.04189	1.4
229.04921	3.2
231.02859	0.3
245.04337	0.9
246.05115	1.8
256.03430	0.2
257.04401	3.1
257.06836	0.2
260.03064	0.2
261.07343	0.2
271.05966	0.2
273.03848	1.6
274.04645	5.3
275.05069	0.2
284.03214	0.5
285.03857	5.8
286.04373	0.3
288.06326	0.2
301.03305	0.1
302.04150	16.4
303.04550	0.6
316.06100	0.1
317.06488	100.0
318.06805	3.7
403.68967	0.1
404.11475	0.1
419.13794	0.1
563.17920	0.2
564.17902	0.2
565.18439	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00254	0.1
56.04969	0.2
57.05755	0.4
58.06534	0.1
60.04454	0.1
67.05458	0.1
69.03349	0.1
69.06990	9.4
70.06511	1.6
70.07312	0.1
70.92214	0.1
72.08083	1.0
74.05994	0.1
84.04438	0.5
84.08070	0.9
85.02821	0.2
86.09629	100.0
87.09953	1.1
92.10873	0.3
102.05495	0.1
109.72141	0.1
110.07133	0.7
112.16468	0.1
119.04907	0.1
120.08069	0.2
127.03878	0.2
129.10182	0.5
131.04953	0.1
132.10173	1.9
137.05989	0.2
146.02000	0.1
161.06068	0.1
178.06252	0.2
193.08705	0.1
199.10631	0.1
199.18100	0.4
237.34770	0.1
245.18556	22.1
246.18903	0.7
536.61017	0.1
625.20935	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04980	0.3
57.03357	0.2
60.04459	9.5
65.00243	0.2
68.04957	0.3
70.02856	0.4
70.06511	100.0
71.06844	0.9
72.08067	0.9
74.05995	0.3
83.17507	0.2
84.04450	0.8
84.08053	1.4
84.55318	0.2
85.03940	0.3
86.09631	1.0
88.03924	1.7
91.05402	4.7
91.05942	0.2
97.07575	0.4
98.05993	0.7
103.05396	1.3
105.03362	1.6
106.06519	0.5
107.04925	0.4
109.07606	0.3
110.07157	0.3
111.04269	0.9
115.08640	2.0
116.31884	0.2
117.05688	0.2
118.06491	13.4
119.04921	1.1
119.07305	2.3
119.08575	0.2
119.27203	0.2
120.08057	5.2
123.04393	0.4
125.07114	1.1
126.05501	0.3
127.08607	0.2
129.10222	0.8
130.06505	0.8
131.04930	0.4
135.04396	0.4
136.07562	2.8
136.08540	0.3
137.06042	0.3
137.07060	5.3
138.07880	0.3
139.08661	1.2
144.08089	0.4
146.05988	20.8
147.04494	0.3
148.07599	0.3
151.08737	0.2
152.08165	1.6
153.08949	4.6
155.08334	0.2
157.07710	0.3
157.09697	12.3
162.05495	0.4
164.08186	0.3
165.05461	1.0
165.09035	0.3
167.08481	1.1
168.08990	0.4
169.10106	0.2
170.05956	0.2
170.09583	0.3
172.07550	0.4
172.11168	8.3
173.05803	0.3
173.07149	1.1
173.11485	0.2
174.05492	0.8
182.08150	0.9
182.83122	0.2
184.10800	0.3
185.09209	2.7
185.10779	0.3
187.08661	0.4
187.12355	1.0
188.07085	0.8
190.08629	0.2
194.09335	0.2
195.08040	0.4
197.10847	0.4
198.05501	0.3
199.12311	0.9
200.38345	0.2
206.09425	0.3
207.08089	0.4
208.11145	0.3
215.11961	0.7
216.06560	1.0
216.12491	1.4
217.06071	0.2
217.13400	0.9
219.08043	0.8
223.07428	1.6
224.10495	0.3
224.84911	0.2
225.10297	0.3
226.13457	0.3
228.10265	0.3
233.09341	0.3
236.10672	3.5
243.11343	0.4
245.09296	0.2
246.09213	1.3
247.07390	0.2
251.10222	0.2
254.12912	0.8
256.14453	0.3
258.12411	1.3
259.07178	0.8
261.08643	5.7
265.08621	1.5
268.14377	0.3
270.11371	0.3
277.08249	1.0
282.11575	1.1
286.15427	2.9
291.11185	0.3
292.09503	0.3
294.12347	0.4
297.10919	0.2
300.13397	2.7
312.13309	1.8
318.07108	0.2
323.08969	0.2
330.14410	5.5
331.15393	0.2
385.13754	0.3
397.14108	0.7
442.16061	2.1
511.21664	2.6
539.21283	2.1
608.24036	0.3
626.24420	21.5
627.24524	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78549	0.5
55.01812	0.8
55.05446	1.1
56.04962	0.8
57.03366	6.2
59.04939	0.6
60.04449	1.4
61.02831	0.6
67.65662	0.7
69.03328	4.0
70.06509	12.3
71.04906	15.5
72.08077	6.4
73.02839	0.8
74.98624	0.5
75.04387	1.6
79.05389	1.3
81.03300	1.2
83.04874	3.4
84.04404	5.7
84.08063	7.8
85.02824	31.2
86.09624	8.9
87.04385	0.7
90.87195	0.6
91.05384	1.3
93.06975	1.0
97.02836	5.5
98.03120	0.8
102.05473	1.5
103.05394	8.1
103.42921	0.7
105.06965	27.1
107.04868	1.2
109.02776	1.1
110.07119	6.9
111.04355	0.9
115.05416	5.3
118.04064	2.9
119.04878	1.0
120.08031	3.2
120.08862	0.7
121.06453	17.0
127.03845	3.3
129.05461	5.7
129.10178	4.8
131.04889	11.7
132.05682	2.9
133.06451	36.8
136.07486	0.9
137.05908	1.0
143.06026	1.5
145.06442	1.4
146.03598	22.7
147.06477	1.5
148.05199	1.6
151.07472	0.7
160.05190	1.2
161.05934	55.0
162.06310	1.7
163.03870	3.8
163.07510	4.4
167.06979	1.1
177.00642	1.1
178.06206	100.0
179.06418	2.5
187.07527	2.8
189.26782	0.6
191.06961	7.6
192.07751	4.5
193.08559	50.1
194.08922	1.3
196.07274	1.4
205.08554	1.2
211.09627	2.8
231.10062	1.3
235.09593	1.0
249.11176	0.8
267.12195	18.4
273.06448	1.2
308.27927	0.8
410.18668	0.9
586.21417	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27638	0.2
62.53369	0.2
64.07212	0.2
66.04627	0.2
67.05443	0.2
69.06980	1.5
70.99283	0.2
72.08067	0.2
72.19932	0.2
73.03429	0.2
79.05421	0.3
81.06968	0.8
84.08047	0.2
91.05399	0.3
93.06995	0.3
94.04111	1.8
95.08543	0.2
97.06503	0.2
105.06970	0.3
107.08533	0.8
109.10102	0.3
114.09055	0.2
122.03593	5.4
126.09084	0.2
133.10085	0.8
135.11641	1.1
137.05948	100.0
138.06284	2.2
153.12672	0.7
154.17780	0.2
165.12570	0.2
170.15373	1.1
182.15373	2.1
184.65028	0.2
241.08768	0.3
259.09439	0.2
271.09457	0.3
273.11166	1.6
306.20621	6.0
337.63022	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1553
Annotation	Myricetin 3-robinobioside
Peak:m/z	Relative Intensity
50.71701	0.2
53.03872	0.4
55.01789	0.4
55.05436	1.4
56.04966	0.7
57.03377	2.8
57.89303	0.3
61.02852	0.7
65.03886	0.3
68.04939	0.3
68.99689	1.4
69.03345	3.0
69.06991	0.3
70.06506	9.6
71.04906	14.7
71.06823	0.3
72.08066	6.5
74.05986	0.4
75.04392	0.6
76.02154	0.4
81.03331	0.4
83.04883	0.5
83.05984	0.3
84.04436	2.6
84.08069	7.1
85.02826	19.5
86.09144	0.5
86.09623	7.2
87.04381	0.4
88.03931	0.5
91.05411	0.4
97.02811	2.9
98.05971	0.4
102.05437	0.7
103.05432	0.4
109.02818	2.0
110.07117	3.7
111.00767	3.7
111.04391	0.4
116.07026	0.6
120.08041	1.8
127.03877	1.6
129.05429	1.8
129.10185	3.6
131.04893	1.8
136.07530	1.5
137.02330	3.2
137.06000	1.0
153.00615	0.7
153.01804	12.3
153.05453	0.4
154.01999	0.3
161.05957	0.8
165.01817	4.3
170.05954	0.3
177.05420	0.4
179.03326	1.7
183.02835	1.5
185.16420	0.5
189.05530	0.5
195.02919	1.2
199.03934	0.3
203.03299	0.6
207.02798	0.5
217.04904	3.4
235.06050	0.4
245.04424	5.1
263.05536	0.5
273.03836	6.3
285.95026	0.3
290.04080	0.8
301.03329	0.6
303.04895	3.0
319.04419	100.0
320.04797	3.3
388.45328	0.4
627.19806	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86679	2.1
56.13942	1.9
61.94645	2.0
69.06978	2.3
70.15932	2.1
82.64539	2.5
91.05724	5.8
93.97073	2.2
95.08531	2.6
112.18288	2.3
172.30252	2.7
225.04158	2.8
240.80922	2.5
342.39801	2.4
417.49963	3.1
627.40326	100.0
628.40387	9.4
654.66858	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	627.4019
Annotation	Somocystinamide A byproduct
Peak:m/z	Relative Intensity
52.68373	2.4
55.05439	2.7
56.65049	2.3
57.07008	2.6
60.92785	2.9
70.36913	2.8
83.95762	2.6
89.30272	2.8
91.05737	4.1
92.10191	5.4
95.08536	3.6
116.14061	2.5
128.05945	4.4
147.31218	3.0
196.19131	3.0
246.81978	2.9
259.34369	3.1
267.55405	3.3
538.04651	4.2
627.39990	100.0
628.40149	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	627.5435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96990	0.5
52.43768	0.5
55.53538	0.4
57.07005	8.7
58.06520	2.0
61.78811	0.4
70.06505	17.5
71.08550	3.9
72.08047	0.7
84.08058	0.6
85.10094	0.8
86.09619	0.6
88.07550	23.4
102.09114	14.7
109.92767	0.5
115.46361	0.5
132.10092	0.5
212.23688	0.8
239.47450	0.5
256.26285	41.4
257.26639	2.3
274.27332	5.8
300.28903	2.9
300.80795	0.6
318.29944	100.0
319.30429	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	628.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
64.90865	0.2
70.06523	0.2
71.40868	0.2
74.02359	0.5
82.59094	0.2
84.35739	0.2
85.02853	0.3
91.05400	0.3
115.05414	1.4
117.05683	0.3
117.06958	1.2
118.06489	22.2
119.06815	0.4
120.08030	0.4
130.06465	1.7
132.08061	7.0
142.06494	1.9
143.07291	2.9
144.04402	0.5
144.08069	18.5
145.08441	0.3
146.05989	87.0
147.06331	3.1
159.09155	7.9
160.07611	1.5
169.54384	0.2
170.05981	6.8
188.07034	100.0
189.07349	4.0
201.10683	0.3
205.09689	26.9
206.10117	1.5
242.54008	0.3
252.97881	0.2
261.05469	1.0
279.06409	0.9
303.06378	0.3
359.31979	0.2
444.45624	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82106	1.9
56.96281	1.7
56.96498	32.5
64.33875	2.3
78.17483	2.1
81.06938	3.1
83.31062	2.0
89.15099	1.7
93.06987	2.2
95.08511	4.3
98.58025	2.1
98.97511	38.2
105.06947	3.3
109.10088	2.3
116.98560	70.1
119.08508	2.5
121.10076	3.0
134.99623	81.3
141.54237	1.9
153.00648	34.6
175.02499	2.0
181.04826	3.1
459.59351	2.2
499.30658	7.5
506.57089	2.2
509.29132	7.5
515.31201	2.1
517.31799	3.0
519.33093	3.5
525.32880	2.6
527.30316	16.4
543.33258	19.5
545.30951	10.0
561.34503	84.9
562.34631	7.3
563.32495	7.7
579.35406	11.6
584.35309	2.5
587.32404	100.0
588.33099	7.7
605.33411	25.9
628.35217	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	629.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07610	1.3
60.86815	1.5
67.05405	2.4
70.06481	3.5
72.08062	1.8
84.08067	4.2
85.02807	1.8
86.09611	3.3
87.30580	1.7
91.05396	2.8
93.03432	1.6
93.06949	2.5
95.04885	19.0
101.88628	1.9
103.05409	3.4
105.06960	8.3
107.04944	2.8
110.07163	5.8
112.16692	1.6
121.06453	8.2
122.29710	1.8
123.04364	23.6
124.05170	1.7
133.06467	6.8
137.05954	9.9
140.04623	2.2
147.08069	8.0
149.05969	8.7
151.07533	2.0
152.08363	1.7
155.06990	8.8
164.40204	1.8
165.05455	9.2
165.09094	6.5
167.06992	100.0
168.07338	2.0
178.00986	1.7
179.07018	3.7
181.04930	3.4
181.08589	16.8
183.06451	8.2
193.08545	36.2
194.09299	3.4
209.08098	17.9
237.11258	7.1
402.16656	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	629.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.41464	3.6
68.40952	4.0
70.38321	3.8
77.34028	3.9
83.43823	4.0
89.05929	16.0
89.16776	4.1
91.05728	5.1
101.09783	4.5
120.29469	4.3
136.03885	4.3
185.96574	4.4
286.92264	5.4
353.06601	4.7
368.14886	5.0
400.02460	4.6
598.43127	5.2
629.41687	100.0
630.42517	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	630.09
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41315	1.5
54.82760	1.9
56.96489	2.8
60.22107	1.8
65.03852	7.4
70.54544	1.7
107.03556	1.8
129.01529	1.8
136.93437	1.8
139.03867	4.1
140.90944	2.1
149.02318	100.0
149.03394	5.2
149.05833	3.4
151.05228	1.8
181.04803	3.0
193.04904	53.4
259.01175	9.6
274.27155	2.4
286.26721	2.1
356.26166	2.9
361.03137	2.4
397.01843	2.7
589.06366	9.1
607.07513	37.2
608.82703	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	630.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12368	1.3
53.49454	1.2
54.63574	1.4
55.05451	3.4
55.32317	1.5
57.07010	47.2
59.90541	1.3
66.40178	1.7
69.81328	1.5
71.08556	27.4
73.06467	7.9
83.08557	2.1
85.10112	14.6
87.04382	10.6
89.05954	100.0
97.10081	1.9
99.11639	2.3
107.06989	8.0
117.09044	2.3
133.08589	31.2
155.17845	3.0
177.11168	17.9
243.23169	6.7
250.44771	1.6
282.68073	1.8
287.25629	3.1
511.14294	1.9
613.44794	10.2
630.35297	7.6
630.47687	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	631.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05436	8.0
55.05678	1.0
56.04969	16.2
56.96484	1.8
57.03362	2.7
60.04444	2.7
67.05422	1.4
69.03345	3.1
70.02907	1.3
70.06143	2.3
70.06510	57.1
72.08067	57.2
73.08410	1.7
74.05988	100.0
82.06493	5.7
83.05992	2.0
84.04425	29.9
84.08064	31.6
85.02826	6.4
86.05992	12.9
86.09628	34.7
87.05474	1.4
88.03886	1.7
91.05377	2.2
97.02825	1.5
99.09131	8.2
100.07572	2.2
101.07076	13.1
102.05457	16.2
103.05339	4.2
104.05222	2.5
105.78181	1.5
107.04869	1.8
110.05966	3.4
110.07159	11.7
111.09196	1.5
114.05472	23.1
115.08678	2.1
118.08583	6.0
119.04954	1.7
120.08054	9.1
127.08630	7.1
129.10211	15.2
130.04912	5.9
130.10512	1.6
131.04875	6.8
136.07535	6.5
137.05951	3.4
138.05470	1.6
143.11722	1.9
145.09718	22.9
155.08124	28.4
161.05948	2.2
163.07497	2.2
167.06947	1.8
171.07582	3.2
173.09189	17.3
183.11266	7.0
186.64386	1.6
187.07208	1.3
187.10901	1.5
197.09183	89.9
198.09419	1.5
201.08722	14.6
201.10484	2.3
201.12320	7.1
213.08435	1.5
215.10234	28.7
240.13405	19.9
250.87187	1.7
258.14380	2.0
268.12866	31.9
274.13617	1.9
284.12506	1.5
286.13907	26.0
302.13269	10.3
397.17029	7.4
411.78262	1.7
415.18170	47.0
416.18640	1.9
514.24713	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	631.3991
Annotation	(-)-Pleiomutine
Peak:m/z	Relative Intensity
50.31651	0.3
54.97977	0.3
55.05440	2.0
57.07018	0.7
62.89556	0.4
65.03838	0.4
67.05416	2.2
69.06996	3.5
79.05405	1.6
80.36794	0.4
81.06973	4.4
86.26626	0.4
91.05408	16.0
93.06989	4.1
95.04922	0.5
95.08545	6.8
97.10101	0.6
102.89606	0.4
105.06977	6.1
107.08539	5.4
109.10103	3.6
115.40012	0.4
117.06956	0.5
119.04900	33.4
119.08536	6.2
121.06426	0.7
121.10114	4.3
123.08032	0.5
123.11665	0.9
131.08542	3.9
133.10086	7.3
135.08009	0.7
135.11658	1.5
137.13179	0.4
143.08559	0.5
145.10124	4.6
147.04398	100.0
147.11681	1.6
148.04724	2.4
149.09592	0.7
155.99400	0.4
159.11636	2.3
161.13246	1.8
171.11777	0.6
173.13301	0.5
175.14851	0.7
177.16339	3.6
187.14799	4.2
198.88814	0.4
203.14276	0.7
203.17924	0.8
205.15857	26.7
206.16219	0.7
219.17397	0.9
322.20282	0.4
407.33102	1.7
425.33893	0.6
480.57635	0.4
516.55927	0.4
596.12610	0.4
630.44531	0.5
631.39716	14.5
632.39655	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	1.6
55.01807	6.7
55.05457	21.0
56.04955	2.0
57.03357	2.0
58.99519	15.6
67.05426	14.3
69.03336	2.6
69.06988	16.8
70.06520	15.6
72.08070	8.7
74.00574	2.5
74.59869	1.3
75.59241	1.4
76.01736	2.8
76.02140	50.0
76.03902	2.6
79.05415	13.7
79.41518	1.5
81.03334	2.1
81.06968	30.9
82.06454	2.6
83.04906	6.9
83.06011	7.7
83.08527	9.1
84.04430	29.0
84.08057	7.9
85.02830	2.9
86.09636	12.9
86.98972	6.5
88.95858	1.5
91.05403	13.2
92.10243	2.1
93.06974	12.8
94.06487	1.6
95.04889	7.2
95.08541	10.3
96.04424	1.7
97.01053	3.1
97.02853	2.0
97.06462	2.6
97.10108	10.3
105.06960	14.5
107.04897	3.0
107.08543	13.9
109.06464	7.6
109.10117	2.5
110.07110	2.6
111.02605	5.9
111.04375	2.7
111.08031	2.0
112.02113	8.2
113.00517	7.1
114.03705	2.1
116.01625	20.4
117.06966	6.3
119.08518	8.7
120.08051	8.5
121.06455	1.8
121.10107	3.4
123.04391	2.5
123.07996	3.4
124.02129	10.0
125.00574	1.9
125.09593	8.0
126.03700	8.0
129.06583	2.6
129.10196	3.4
130.04958	10.1
131.08524	6.6
133.10094	6.4
135.02620	1.7
135.07991	7.1
135.11678	2.7
137.05939	2.4
138.03726	2.5
139.03230	1.6
140.31287	1.4
141.04767	2.0
142.03180	7.0
143.08556	2.8
144.01135	10.3
145.06116	2.6
145.10072	3.4
153.06483	1.6
153.09071	1.6
153.12689	6.4
156.08176	1.5
157.10051	1.7
161.05968	1.8
161.09625	5.5
162.02188	18.3
163.11163	6.3
165.09109	1.8
175.11052	1.9
177.03262	2.7
177.07278	2.2
179.04855	11.5
182.46992	1.5
185.03790	3.3
187.05414	6.8
193.06625	2.5
194.09953	2.6
205.06781	1.9
212.46072	1.6
222.09335	1.8
224.10991	2.7
227.12761	1.7
231.04266	13.3
233.05875	8.3
240.10474	7.1
242.12027	1.8
254.12070	7.5
262.17758	1.7
266.12100	5.7
277.58118	2.0
278.11969	3.0
284.13004	1.7
285.22116	2.7
289.17920	8.2
297.12631	1.7
308.09006	3.3
311.14258	8.4
321.15057	8.1
346.18295	11.7
357.14667	7.8
364.19177	17.9
365.17703	6.6
382.20520	3.6
449.20749	2.1
467.21964	27.0
485.23065	100.0
486.23355	3.1
557.24872	8.7
596.26544	3.0
632.28772	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	632.306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58527	4.9
51.20068	3.9
56.96510	4.0
79.80613	4.6
86.09606	7.0
91.05411	5.3
95.08469	6.4
105.07001	19.6
107.04891	6.4
109.29192	4.9
125.26224	5.1
129.06956	6.7
131.08533	11.3
133.06450	11.1
143.08537	11.5
145.06490	6.4
145.10107	28.3
155.08493	6.7
158.07214	38.2
159.08020	33.5
161.09517	6.7
167.06999	10.2
169.04938	5.1
171.08037	7.2
173.09613	54.9
175.07518	5.9
177.63696	5.8
181.08525	5.1
187.07481	61.2
189.09013	5.5
191.07037	5.9
191.26236	4.6
193.08562	11.3
198.06552	4.7
201.09094	54.6
203.10646	9.0
219.10165	31.3
226.06079	5.6
233.09569	9.9
233.11682	100.0
233.97534	5.3
234.12415	39.0
235.13214	35.5
241.08546	26.8
269.07901	7.0
278.09213	6.4
285.07465	6.6
285.10733	5.3
286.08395	10.8
293.11627	6.3
329.10165	86.7
343.15369	6.8
353.13705	8.0
385.16238	31.2
575.63226	6.6
589.46460	6.4
621.80280	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	632.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03873	1.8
55.01801	1.9
55.05447	4.8
56.96498	7.5
57.03371	1.9
65.03848	2.7
67.05431	6.1
69.06985	1.9
79.05419	9.2
81.06976	1.5
91.05381	5.1
93.06986	2.7
95.04929	2.3
95.08524	5.0
102.18554	1.2
103.05425	3.3
105.06976	32.3
107.04884	7.2
109.02863	1.3
115.05449	1.9
119.22806	1.3
121.06476	5.6
125.05972	2.0
129.06953	5.2
131.04921	2.4
131.08475	1.4
133.06450	26.0
135.04396	1.5
135.08015	2.2
137.05965	8.9
143.08580	1.9
145.06494	1.3
145.10098	1.6
146.07169	2.0
146.44987	1.4
146.99655	1.8
150.06735	8.7
153.05440	2.0
154.94101	12.4
157.06442	6.0
161.09581	9.4
163.07521	1.7
165.06940	3.0
165.09087	24.2
167.07025	10.0
167.08421	1.5
172.95203	63.2
174.06726	2.3
175.07574	1.5
177.05431	1.6
179.08543	1.8
181.04906	9.6
181.06386	2.6
181.08582	2.9
182.07277	2.6
184.05196	2.0
189.09065	13.2
190.09471	1.5
190.96243	65.7
191.07001	4.9
193.08554	100.0
194.07274	1.8
194.09291	1.4
195.08029	6.3
199.07466	5.1
201.09015	1.6
208.08839	5.3
208.97467	1.8
209.05879	1.6
209.09697	1.7
210.06705	6.2
210.96799	3.3
211.07498	2.3
212.08260	4.7
213.08994	1.6
213.97809	1.9
214.96178	1.5
221.11667	13.8
223.07504	2.1
223.11140	2.6
224.08333	1.3
225.09093	8.5
227.06961	7.6
227.10628	2.7
228.97803	15.5
239.06911	2.3
240.07751	1.5
241.08290	1.7
243.06642	1.4
244.07248	1.5
246.98871	2.8
249.11186	7.2
251.10555	5.5
253.08449	5.3
255.06572	5.2
255.10068	5.8
257.04645	2.4
257.07886	1.6
257.11533	2.2
259.09613	13.2
265.12137	1.8
269.11707	1.7
270.08887	3.2
271.09662	11.8
272.06790	2.1
278.09238	2.3
279.09955	2.6
280.97260	3.1
281.08041	2.1
283.13275	5.5
285.11310	9.2
286.11798	2.8
287.12680	13.0
293.11621	2.5
298.98450	6.4
311.12720	7.7
312.06076	1.4
313.10608	2.3
315.08557	5.4
315.12186	2.3
315.15939	2.2
316.12494	1.4
316.99295	14.1
317.11899	2.3
317.17883	18.5
325.14267	1.8
329.09937	2.1
335.18848	12.1
339.12115	1.8
343.11404	2.7
343.15332	41.1
344.15747	1.8
345.13242	26.4
353.13699	2.7
371.14902	20.6
374.12918	1.7
385.16376	6.0
403.17252	12.4
453.17160	11.8
471.17993	33.2
489.18011	1.5
631.36987	2.4
632.37396	2.9
633.23474	20.1
640.39532	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82117	5.6
55.05438	13.3
61.85550	5.7
65.55877	5.1
67.05417	37.0
69.06975	7.1
79.05402	30.2
80.57505	6.2
81.06981	46.3
91.05399	30.8
92.65104	5.7
93.06974	49.6
95.04889	6.1
95.08524	27.5
97.02827	100.0
97.06441	6.3
105.06973	34.0
107.08517	30.5
109.06451	9.9
115.95926	5.6
117.06954	13.6
119.08570	29.2
119.50373	5.6
121.10124	11.8
126.36757	5.5
129.06955	9.3
131.08531	28.2
133.10091	9.6
135.11684	7.4
145.10120	25.3
147.11635	6.8
147.70709	5.6
157.91315	6.1
201.39268	6.9
224.15570	6.8
250.82111	5.9
339.23181	8.9
375.25198	43.9
592.74744	6.8
654.23749	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	633.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03369	0.5
61.37878	0.2
69.03335	1.2
70.06504	38.8
71.06844	0.4
71.23221	0.3
72.08083	0.3
72.10587	0.3
83.72314	0.3
84.04413	2.6
85.02823	1.7
86.81091	0.3
87.04380	0.5
89.48417	0.3
91.05400	20.9
92.64590	0.3
97.02811	1.3
99.23537	0.3
107.04897	0.5
114.05479	3.3
115.03890	0.6
116.07033	84.1
116.98573	0.3
117.07387	0.5
118.06480	0.6
119.04887	18.7
120.05251	0.4
121.06432	1.8
130.04973	1.6
133.04910	0.3
136.07542	100.0
137.07887	1.7
147.04395	3.6
147.07536	0.3
148.06062	0.4
196.24643	0.3
203.03893	0.3
220.09782	0.4
237.02759	0.7
238.06487	0.3
262.01663	0.3
262.10641	1.9
268.47321	0.3
279.07416	2.1
279.13312	53.1
280.13599	1.7
332.65244	0.3
353.04169	0.3
374.13208	1.4
374.63303	1.2
375.13193	0.3
391.68900	0.3
393.10236	0.6
452.85172	0.4
604.29510	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12947	0.5
54.82119	0.6
55.78977	0.5
73.11549	0.6
75.06816	0.7
82.24133	0.6
86.74490	0.6
97.51141	0.6
107.43154	0.8
112.73115	0.8
167.23320	0.7
177.73761	0.7
188.71950	0.7
208.93347	0.7
241.73878	0.9
257.24881	0.7
283.53156	0.8
291.78177	0.9
629.04675	0.8
633.43243	100.0
634.43695	9.0
635.10907	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03866	1.5
55.01804	7.5
55.05227	1.0
55.05453	20.1
56.04959	1.5
56.96494	0.9
57.03362	1.6
58.99515	10.7
65.03835	0.9
67.05424	17.9
67.32323	0.8
69.03334	4.1
69.06979	13.0
70.06510	8.8
71.04900	0.9
72.08064	2.0
74.00564	1.0
76.02141	68.6
76.03922	1.7
79.05407	33.9
81.03338	9.5
81.06974	53.6
83.04883	5.2
83.08533	11.2
84.04424	24.8
84.08067	3.9
85.02823	1.4
85.03950	2.0
85.06453	1.0
86.09621	7.6
86.98965	3.5
88.02084	0.8
91.05409	19.3
93.06973	16.2
93.64372	0.9
95.04893	30.7
95.08533	13.3
97.06428	3.4
97.10091	11.0
99.07986	1.0
103.05380	1.8
105.03330	1.7
105.06976	15.6
107.04908	7.9
107.08539	13.8
109.06448	6.7
109.10107	6.4
110.07082	1.5
111.04339	0.8
111.08025	1.4
116.01633	21.3
116.06176	1.1
117.06963	16.3
119.08537	33.5
120.08020	4.1
121.06459	12.3
121.10079	9.0
123.04372	1.0
123.08006	5.7
125.09621	7.4
129.07002	8.3
129.10204	1.6
130.04970	10.3
131.04834	1.2
131.08524	13.6
132.05647	1.1
133.06416	2.0
133.10069	4.1
135.07999	4.7
135.11653	4.1
137.05968	1.4
137.09578	1.5
142.03197	6.7
142.07722	0.9
143.08563	6.4
144.01117	9.4
145.06407	1.2
145.10124	16.7
147.08026	19.7
147.11678	4.2
149.09543	5.4
157.06410	1.2
157.10098	7.9
159.07951	3.2
159.11646	4.0
161.09622	9.2
161.13239	1.0
162.02165	28.5
163.07428	0.9
163.11121	6.4
165.09003	1.0
170.02672	4.4
171.11644	4.6
175.11096	5.0
177.03371	1.2
179.04820	33.9
185.03810	0.9
185.13188	1.0
187.05315	1.5
189.11159	1.6
193.12166	3.6
199.11128	1.5
211.13268	4.2
213.12646	1.0
215.04668	1.0
223.13246	4.8
227.17932	1.4
231.13672	0.9
233.05829	10.2
245.05937	1.5
245.18886	1.1
249.14842	7.5
255.17305	1.4
265.82922	0.9
273.18436	16.2
285.13983	0.9
290.07831	1.1
291.19485	100.0
292.19757	3.4
308.09039	64.9
309.09433	1.1
401.09021	0.9
469.23376	1.4
487.24368	2.0
537.48328	1.0
616.29474	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41854	0.9
55.01814	5.9
55.05256	0.9
55.05447	14.1
56.04968	2.5
57.03366	1.7
58.99520	15.0
61.01078	1.4
67.05425	14.1
69.03336	3.0
69.06982	6.4
70.02890	1.2
70.06499	8.5
71.04903	2.1
71.08535	7.3
72.08058	4.9
74.00568	3.0
76.02139	48.3
76.03905	2.7
76.40617	1.2
77.42041	1.2
79.05413	12.3
80.04913	3.1
81.03329	1.9
81.06980	18.9
83.04898	6.1
83.06017	5.3
83.08537	9.5
84.04427	26.8
84.08067	9.4
85.01023	1.5
85.02829	1.6
85.06435	2.1
86.09605	8.1
86.98978	6.4
91.05396	11.3
93.06979	15.8
94.06475	2.1
95.04887	6.3
95.08527	11.2
97.01045	5.5
97.06432	2.0
97.10077	8.1
98.00591	1.8
99.08011	4.9
102.05492	1.9
103.05363	1.7
105.06987	12.2
107.04884	5.0
107.06049	1.3
107.08520	12.2
109.10094	6.1
110.07078	4.6
111.02597	2.7
111.08030	4.8
112.02121	5.4
113.00523	4.6
116.01627	27.5
117.06964	2.4
119.08521	6.6
120.08041	2.1
121.06464	2.0
121.10081	8.5
123.02556	1.2
123.08036	1.6
124.69349	1.3
125.04187	2.1
125.09566	3.1
126.03676	7.8
129.06526	3.0
129.10181	2.0
130.04974	7.8
133.10101	5.6
135.02548	1.5
135.11646	5.9
136.07483	2.0
137.05850	1.7
137.09622	1.9
138.03767	1.2
139.02086	6.9
140.05283	1.5
142.03180	6.4
143.02745	1.5
143.08649	1.3
144.01134	9.9
145.10077	7.0
147.08009	2.0
149.09467	1.6
153.12720	6.5
154.06839	1.4
155.08188	1.5
159.11635	2.2
161.09572	2.5
162.02188	20.7
162.03542	2.1
163.11256	1.3
167.06996	2.5
167.10614	1.2
171.08263	1.4
177.03276	2.7
179.04793	11.0
179.08749	1.6
181.12120	1.9
185.03658	2.7
187.05370	3.1
189.11244	1.3
193.12183	2.7
194.10031	10.4
195.08377	2.1
196.11551	9.8
205.69997	1.3
222.09373	3.0
224.10953	3.0
231.04375	8.9
233.05859	6.4
236.11020	2.1
240.10518	2.5
241.11304	1.3
242.11989	1.9
254.12027	7.5
266.12079	5.0
274.97424	1.4
277.16180	1.5
282.11279	1.6
291.19479	5.3
308.09036	5.6
309.20419	1.4
311.14151	10.1
323.16632	6.7
348.19882	14.8
349.18295	3.0
357.14642	10.5
366.20905	17.9
367.19324	6.8
369.14551	1.9
384.21942	7.3
394.20108	2.3
451.22501	3.0
469.23523	22.6
487.24652	100.0
533.17352	2.7
556.04333	1.4
559.26672	5.9
598.27356	6.0
634.29626	14.9
635.16602	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	634.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01802	3.5
55.05441	13.3
56.91498	1.9
57.03357	8.7
57.07018	2.8
59.04916	3.0
67.05427	26.3
69.03346	31.3
69.06982	13.3
70.06503	12.8
72.08042	3.8
76.02135	14.9
77.31458	1.9
79.05403	25.6
80.27670	2.0
81.03305	2.2
81.06973	64.7
83.08517	10.3
84.04420	8.4
84.08053	8.9
85.02818	28.5
86.08383	1.9
86.09615	10.0
87.04391	20.1
91.05402	24.4
93.06970	39.0
95.04874	2.7
95.08521	62.1
97.01050	2.1
97.02845	18.4
97.06447	3.9
97.10061	3.0
99.08031	2.8
105.06969	47.5
107.08529	50.8
109.06455	2.5
109.10108	32.7
110.07125	4.4
111.04378	3.2
111.08006	9.5
114.36430	2.0
115.03898	17.0
115.45517	2.1
116.01612	8.3
117.06972	10.2
119.08540	40.9
120.07969	2.7
121.06459	2.2
121.10094	25.9
123.11626	9.2
125.09551	3.0
126.03699	2.2
127.03834	2.2
129.06978	3.9
130.04979	3.0
130.89957	1.8
131.08507	18.8
133.04913	10.9
133.10118	43.5
135.07994	3.0
135.11644	21.0
137.09583	3.3
143.08548	4.1
145.10115	29.6
147.11653	40.1
148.74809	2.5
149.13232	14.0
157.10136	4.8
159.11653	30.8
161.13213	19.9
162.02196	3.1
163.11298	2.7
163.14772	4.2
165.09102	2.9
171.11684	8.1
173.13216	20.3
175.14748	21.5
175.38736	1.9
185.13264	9.1
187.14818	22.0
189.16383	3.2
193.12352	2.5
196.11496	3.5
199.14746	13.2
201.16324	8.6
205.15981	3.4
213.16321	12.8
214.16884	2.5
227.17867	5.0
229.19444	88.6
230.20061	3.0
259.24109	3.0
269.22540	46.4
287.23630	100.0
288.23932	9.2
305.24585	3.6
348.19867	3.3
353.57056	2.2
366.20630	2.5
379.36383	2.1
384.21927	2.5
419.28027	3.1
469.23715	4.6
487.24570	25.1
505.76382	2.1
598.27118	2.4
627.55115	2.4
634.29871	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	634.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03266	3.9
55.05448	21.1
57.07001	6.7
64.33696	6.4
67.05418	36.9
69.03334	5.0
69.06993	11.3
79.05400	31.0
79.80303	4.8
81.06970	41.5
91.05407	28.4
92.10282	11.9
93.06952	36.8
95.08528	23.7
97.02824	100.0
97.10194	4.3
105.06973	22.3
107.08530	10.1
109.10104	7.8
111.04412	5.2
117.06972	6.3
119.08498	19.0
121.10101	12.1
123.07996	4.7
125.53101	4.3
126.48238	4.6
131.08548	9.0
147.11649	6.2
153.89494	5.2
221.20436	4.5
229.15921	4.9
312.69406	5.3
316.73853	5.1
341.24561	5.9
347.26019	6.4
359.25763	20.1
377.26740	46.0
439.52924	5.5
539.32758	7.2
608.46661	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	635.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79227	1.4
56.96488	10.2
58.98058	1.3
60.12405	1.3
68.69899	1.5
69.06968	2.2
81.03350	1.7
81.06960	2.8
86.09589	1.5
86.26194	1.6
90.50185	1.4
93.06975	2.0
95.08533	2.6
102.92500	2.5
105.06925	1.8
107.08487	2.0
109.02795	1.6
109.10080	2.5
119.04897	2.3
119.08553	2.3
121.10046	2.0
121.34206	1.6
123.11631	3.1
136.93057	2.6
147.04369	13.4
154.94122	18.9
172.95184	91.8
182.99506	1.4
190.96240	100.0
195.96664	2.6
208.97256	2.0
210.96713	10.4
213.97954	1.8
214.96184	5.7
228.97789	31.6
238.96156	2.2
246.98802	7.1
280.97269	2.4
293.87894	1.6
298.98416	9.4
316.99384	18.3
319.19177	13.0
337.20486	28.3
364.29352	1.6
399.16119	2.6
455.18896	7.8
473.19720	65.1
474.19913	2.3
491.20627	1.8
575.22986	2.5
622.27368	1.7
635.16656	1.5
635.25000	28.4
636.25153	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	636.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90097	0.7
55.01810	1.7
55.05440	1.7
56.04970	2.1
56.96471	0.8
60.04438	1.2
61.02862	0.8
65.03863	16.5
65.24611	0.7
67.05431	3.3
69.06983	1.3
70.06142	1.2
70.06509	30.1
72.08063	16.9
73.02821	1.6
74.05992	2.0
79.05361	1.5
81.03329	1.0
82.04118	1.4
83.06013	1.3
84.04430	9.3
84.08067	21.3
85.02818	3.7
86.09628	16.0
88.03903	0.9
91.05420	7.7
93.03333	1.6
93.06911	0.9
93.56308	1.0
95.01234	1.0
95.04887	7.1
95.08538	0.9
102.05472	1.8
103.05379	1.0
105.06979	1.6
107.04897	6.8
110.03612	12.8
110.07121	8.3
111.04375	18.4
118.37823	0.8
119.04892	9.6
120.08019	6.0
121.02849	7.3
121.03621	0.8
121.06477	1.6
123.04395	6.7
125.05949	19.5
129.10213	12.1
130.10559	0.9
131.04886	4.4
133.02844	4.7
133.06404	0.9
134.07591	0.9
135.04338	0.8
135.07910	0.8
136.07533	4.8
137.05957	9.8
138.03047	0.9
139.28815	0.9
140.04668	1.4
145.06427	3.7
147.04391	11.4
147.07933	1.0
148.05109	1.6
149.02293	1.8
149.05934	1.8
151.03850	1.2
151.07591	1.0
152.04759	1.0
152.17848	0.9
153.05447	36.2
155.07011	1.6
155.08240	1.0
159.04272	1.1
159.09192	1.2
160.05209	1.0
161.05966	9.7
161.29263	1.0
162.06725	1.2
163.03850	3.2
163.07523	1.6
165.06973	3.0
167.07011	11.7
174.06778	1.5
175.03809	1.4
175.07468	4.5
177.05418	1.1
177.06885	1.1
179.06969	3.3
179.08488	2.0
181.04927	1.1
181.06386	5.3
182.07204	3.9
183.06429	3.5
183.08005	1.9
185.05917	0.9
189.05411	2.1
191.07004	4.0
193.06546	0.9
194.07207	1.6
195.07983	5.9
195.11386	1.0
197.06003	1.6
198.06758	1.9
199.07491	1.6
201.05457	5.8
202.06117	3.6
207.07983	3.6
209.05972	1.3
209.09616	1.7
210.06729	5.2
211.05812	1.0
211.07510	8.3
212.08260	2.1
213.09029	8.3
219.06425	4.2
220.05121	1.0
221.05910	4.4
222.06812	1.3
223.07454	10.1
224.08243	9.9
225.05360	0.9
225.09113	7.1
226.06271	5.8
226.09752	1.6
227.06923	4.1
233.08090	1.7
234.06717	1.2
235.07471	4.1
236.08273	4.5
237.05368	3.7
237.09062	5.1
238.06252	5.1
239.06978	23.3
239.10585	5.5
240.07671	5.4
241.08543	11.0
242.09090	1.6
243.10197	1.5
249.05351	1.2
249.09232	1.1
250.06233	1.2
251.07031	6.6
252.07765	10.9
253.08485	41.3
254.09222	7.8
255.06412	5.5
255.10100	3.9
263.06860	3.5
264.07660	4.0
265.08505	4.2
266.05759	1.1
266.09137	1.5
267.06436	6.4
267.10098	14.7
268.07272	8.0
268.10202	1.1
269.08090	12.9
270.08884	6.3
271.09595	3.6
277.08429	1.3
280.07343	6.9
281.07806	9.5
282.08762	4.3
283.09610	19.7
284.10312	3.4
285.11166	8.8
291.06543	1.4
293.08044	1.5
295.09592	15.6
296.10165	1.6
297.07413	5.6
297.10892	2.7
298.08173	6.5
299.09091	3.4
299.12738	3.6
308.06601	1.8
309.07437	1.8
310.08429	1.7
311.09070	20.6
312.09744	7.9
313.10657	26.2
314.11246	1.3
315.08243	1.0
323.09128	12.6
324.09863	4.9
325.10556	1.3
327.08444	3.7
327.12204	11.7
341.10098	38.7
342.10706	7.1
343.11646	16.9
345.13138	4.4
353.10260	1.0
355.11624	11.8
359.11206	6.1
373.12735	100.0
374.13010	6.4
385.12567	5.9
391.13498	2.1
421.14578	1.0
545.21094	1.0
632.10626	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72555	1.9
54.81728	1.9
55.05442	4.1
56.04959	8.2
56.96489	2.5
57.03366	2.5
63.96779	2.1
63.97153	1.9
65.03853	11.1
67.05418	4.2
69.03342	4.1
69.06978	9.2
70.06506	58.8
71.04924	2.2
72.08056	23.3
74.88937	1.8
79.05403	3.2
81.06953	3.7
84.04417	19.1
84.08058	30.6
85.02818	4.3
86.09622	48.2
87.04382	2.5
88.03885	2.0
91.05396	10.1
93.06984	3.2
95.04887	12.6
97.02818	2.5
101.07058	2.3
101.45165	1.8
102.05444	2.9
103.05396	3.7
103.11070	1.8
104.05247	2.2
105.06985	8.3
107.04893	10.5
110.03609	14.1
110.05972	2.9
110.07088	22.0
111.04378	26.2
119.04874	10.0
120.08027	12.3
121.02817	8.5
121.06463	3.8
123.04345	9.5
125.05941	21.7
129.10184	19.7
131.04887	11.6
136.07545	2.2
137.05913	16.5
138.03180	1.8
147.04356	10.2
153.05411	36.6
155.07027	3.0
161.05946	11.1
162.06641	2.1
163.07460	5.2
164.60999	2.0
167.06999	16.4
167.08238	2.9
173.05795	2.0
173.13174	2.5
174.06746	3.1
175.07495	4.2
177.05394	2.6
178.48402	2.4
179.06920	2.0
181.06364	3.5
183.06392	2.4
183.08035	2.1
191.06946	3.7
194.07103	2.7
195.07983	5.3
201.05440	3.1
202.06293	2.9
203.06880	2.4
203.14323	2.9
207.07886	2.5
210.06718	10.0
211.07503	5.1
213.09117	8.9
219.06332	2.5
223.07440	11.0
224.08267	9.1
226.06201	3.1
235.07437	8.3
237.05272	2.9
237.09016	4.0
238.06168	2.8
239.06972	27.7
239.10583	3.9
240.07610	4.2
241.08537	12.7
250.06207	3.5
251.06915	9.8
252.07698	14.3
253.08519	39.6
254.09123	4.8
255.06311	3.6
255.09833	3.1
263.07056	3.0
265.08466	5.2
267.06262	5.2
267.10080	17.4
268.07211	4.5
269.07938	13.7
270.08765	4.7
280.07257	5.1
281.07907	10.8
282.08783	9.1
283.09500	15.7
284.10110	2.5
295.09607	11.9
297.07523	10.2
298.08350	3.5
299.12595	3.3
310.08209	4.0
311.09094	17.8
311.12091	2.3
312.09650	3.7
313.10684	24.2
323.09113	14.7
324.10034	3.7
324.16202	4.4
327.12256	8.7
341.10141	47.2
343.11624	13.0
345.13272	8.3
355.11578	11.3
373.12674	100.0
374.13074	4.5
385.12469	2.8
421.14435	3.8
579.30573	2.3
636.31274	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	636.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00235	3.1
55.01801	4.9
55.05456	0.7
55.57935	0.7
57.03369	22.8
59.04925	5.1
60.04467	1.2
61.02839	3.8
69.03343	100.0
70.03656	0.9
71.01235	1.1
71.04890	4.3
73.02821	3.7
75.04373	5.9
77.13782	0.7
79.05395	2.0
81.03327	13.7
81.06953	3.2
83.01241	3.7
83.04881	3.4
85.02819	80.3
86.03145	0.9
87.04385	62.2
91.03889	1.2
91.05400	0.9
95.04874	3.4
97.02813	97.1
97.06461	1.0
98.03115	0.9
98.33952	0.7
98.68159	0.8
99.04357	12.7
101.02309	3.2
103.03852	1.8
107.04865	1.6
109.02809	4.4
111.04382	7.3
113.02274	1.2
115.03872	77.9
117.05437	5.0
120.08045	1.6
123.04372	1.5
125.05943	1.0
127.03871	22.8
131.03345	3.6
133.04921	61.2
135.04378	3.4
136.06139	22.7
139.03864	10.6
143.03355	3.3
145.03854	1.4
145.04922	19.1
149.04422	1.6
153.05403	1.7
157.04936	14.7
161.04411	5.3
163.03879	1.3
163.06001	1.5
165.05438	3.3
169.04912	1.4
175.05981	4.2
181.04852	2.8
193.04919	4.5
193.10616	1.2
199.05902	3.9
211.05968	4.5
217.07115	1.0
217.14227	0.9
223.11679	3.2
229.04829	1.7
229.06995	29.5
229.09270	1.0
241.06871	1.1
247.08057	15.8
248.08217	0.9
259.08026	7.4
265.09094	82.8
266.09286	1.1
277.09109	0.9
282.11862	3.3
295.10126	11.3
426.66672	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00239	0.8
53.03881	1.0
54.66540	0.9
55.01814	7.2
55.05449	23.1
57.03379	1.1
58.75510	0.9
58.99515	11.8
59.04930	0.9
67.00466	0.9
67.05426	17.2
69.03330	4.2
69.06992	8.3
70.06506	7.5
70.85046	0.8
71.04890	1.0
71.08542	3.6
72.08060	3.4
74.00574	1.0
76.02143	62.2
76.03918	2.1
79.05415	18.5
81.03333	11.8
81.06975	22.4
83.04898	5.8
83.06046	1.2
83.08534	14.2
84.04430	22.9
84.08044	4.1
85.02821	1.8
85.03960	0.9
85.06461	1.7
86.09623	5.8
86.98975	5.5
91.05408	13.6
92.10284	2.0
93.06969	17.2
95.04897	86.6
95.08537	13.2
96.05212	0.9
97.01021	1.1
97.06477	3.8
97.10092	5.4
99.05513	1.0
99.08031	2.0
103.05392	1.5
105.06979	12.3
107.04929	7.1
107.08530	14.7
109.06457	5.8
109.10096	4.9
110.07086	2.2
111.08039	6.4
116.01624	25.0
117.06956	4.5
119.04820	0.9
119.08545	12.6
120.08034	1.4
121.06431	4.4
121.10094	7.8
123.08004	6.6
123.11741	1.6
125.09583	5.6
126.15515	0.9
129.06789	1.2
130.04980	11.5
131.04506	1.4
131.08517	5.4
133.06505	1.2
133.10080	8.4
135.08035	2.1
135.11685	7.2
136.07620	1.2
137.05975	1.8
137.09567	3.4
142.03210	7.1
144.01126	10.4
145.10126	11.5
147.08008	4.8
147.11630	5.9
149.09602	14.6
149.13202	1.1
151.11169	7.3
157.10025	1.4
159.11649	4.7
161.09547	1.3
161.13220	1.4
162.02167	28.2
163.11159	21.8
165.09035	2.3
165.12708	2.3
167.10585	1.0
170.02600	1.0
177.03316	2.8
177.12750	4.7
179.04797	32.0
185.03802	1.2
187.05324	1.2
187.11188	2.1
193.12169	5.3
199.11217	1.1
205.12210	7.5
211.13258	5.7
215.04857	1.3
223.13275	20.1
231.04311	3.6
233.05878	10.1
245.05806	1.4
247.20760	1.1
268.39053	1.0
275.19977	12.8
293.21054	100.0
294.21362	4.9
308.09067	48.6
386.23624	2.0
437.36142	1.2
489.26120	4.2
561.28247	1.5
618.29919	2.2
636.31030	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05437	22.9
57.03363	6.5
67.05415	23.1
69.03342	38.1
69.06978	37.1
69.66904	3.9
70.06501	23.9
71.04884	16.2
71.78719	3.7
75.04396	4.7
79.05395	20.7
81.06973	100.0
83.08482	5.5
84.04446	5.4
84.08052	9.0
85.02808	23.9
86.09594	9.3
87.04376	21.4
91.05397	23.5
93.06978	78.6
95.08516	53.6
97.02817	32.6
97.59295	5.0
105.06974	44.0
107.08521	71.1
109.10096	65.2
110.07050	4.5
111.28955	4.5
115.03878	23.8
117.06943	5.0
119.08552	42.3
120.08009	4.8
121.10084	55.6
123.11640	19.4
127.11172	20.9
131.08502	22.5
133.04916	16.1
133.10089	19.7
135.11646	23.0
143.10588	5.8
145.10138	10.0
147.11642	33.4
149.13249	41.1
153.12631	5.2
157.10078	5.3
159.11650	21.9
161.13190	10.5
163.14766	6.4
175.14787	6.2
187.14861	10.3
189.16338	7.0
192.31310	5.8
203.17903	23.2
271.24069	21.2
289.25174	10.2
532.31970	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	636.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88218	2.5
54.21305	2.0
55.05442	10.6
57.07016	4.4
59.16960	2.1
60.59244	2.1
67.05426	12.9
69.06985	3.4
70.71246	3.1
71.43645	2.2
79.05392	5.6
81.06975	15.5
87.43510	2.7
91.05407	5.5
93.06982	10.7
95.04929	3.6
95.08559	10.7
97.02827	100.0
97.10094	3.6
105.06963	6.0
107.08534	4.3
109.10104	4.3
111.04369	4.9
119.08605	3.3
121.10085	4.0
121.43881	2.4
191.98366	2.3
343.26224	5.0
361.27356	27.5
379.28265	13.0
467.12433	2.8
541.33423	3.3
635.41101	5.4
636.41650	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81819	2.4
55.05452	12.7
61.02849	4.4
65.51838	2.4
67.05410	11.9
69.06992	21.0
71.68120	2.8
79.05395	5.7
81.06969	30.4
83.08543	6.1
85.02829	22.8
86.09633	3.2
91.05422	4.9
93.06958	30.6
95.08533	78.4
96.08892	3.4
97.02832	5.7
102.58326	2.8
105.06989	14.8
107.08549	59.3
109.10114	48.7
119.08529	36.8
121.10104	57.4
123.11694	15.0
128.40752	3.0
133.10097	34.2
135.11665	29.3
137.13245	3.8
145.10031	3.8
147.11641	33.6
149.13254	20.2
153.09015	5.3
159.11647	12.5
161.13211	24.9
163.14758	35.7
172.95137	21.7
173.13217	3.7
175.14819	18.9
177.16415	14.5
187.14708	4.9
189.16336	45.5
190.96248	28.5
191.17911	80.5
192.18268	3.1
201.16383	12.7
203.17899	100.0
205.04721	14.7
205.19569	7.3
207.17575	3.2
216.07556	6.5
216.82260	3.6
217.19621	4.7
221.18959	5.2
228.97888	5.1
229.19606	4.6
231.21106	6.1
240.17892	3.1
246.98903	5.1
249.18359	12.6
260.79971	3.5
275.19785	3.1
337.20514	3.0
353.24097	3.2
393.35406	3.8
411.36145	26.6
439.35574	64.2
473.19620	5.2
474.19888	16.9
637.25562	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	637.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	2.0
62.88705	2.0
63.15266	1.8
69.06983	3.1
71.14794	2.0
79.05392	2.7
81.06968	10.3
86.09575	2.2
89.64581	2.2
91.05414	5.0
93.06963	8.9
95.08537	19.6
97.06447	3.4
105.06994	4.7
107.08530	10.1
109.06498	4.7
109.10113	8.5
111.44993	2.7
112.27878	2.2
113.18913	2.1
119.08543	8.0
121.06463	62.5
121.10051	5.0
128.29855	2.9
133.10060	3.6
135.08028	3.7
145.10107	8.8
147.08029	14.1
157.10065	3.2
159.11673	3.9
161.09599	5.2
171.11624	2.7
173.09531	2.4
173.13193	2.2
177.12708	3.1
181.10336	2.3
185.13152	2.3
187.11142	2.9
187.14801	20.0
189.12755	3.7
205.04657	3.1
213.40347	2.1
220.15617	2.2
237.89865	2.7
241.15752	3.2
274.41129	2.3
283.20468	11.5
301.21460	2.8
319.22610	95.5
341.10034	21.8
401.85107	2.2
411.14093	22.8
426.16483	20.6
427.16660	3.1
619.05066	2.7
637.26044	100.0
638.25671	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73375	0.4
55.05435	0.5
57.88536	0.4
58.95236	0.5
65.04066	0.4
68.37115	0.4
69.06985	0.6
71.69470	0.5
74.73183	0.4
81.06976	0.8
84.08111	0.4
91.05402	1.1
93.06990	1.0
95.08530	1.9
105.06976	0.9
107.08527	1.8
109.10114	0.9
119.04884	3.9
119.08525	2.2
120.05217	0.5
120.08887	0.7
121.10071	3.8
122.10451	1.0
133.10094	0.6
135.11650	1.9
136.12000	0.6
137.05945	0.9
147.04382	10.4
147.11711	0.6
148.04807	3.8
157.10162	0.5
161.13252	0.6
162.13637	0.5
167.06982	0.5
175.14856	0.7
179.14262	0.6
189.05244	2.3
189.09167	0.6
201.05276	0.5
203.06938	0.8
204.03842	3.4
205.04703	1.7
213.08774	3.1
216.07565	0.9
217.08414	1.7
229.08423	2.5
244.10674	1.9
245.11400	1.1
411.13943	3.8
425.15536	1.0
426.16403	7.6
637.26050	100.0
638.26270	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	637.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96074	1.9
54.43901	2.1
55.05441	5.3
59.06136	2.1
60.03152	2.6
67.05412	4.1
69.03352	4.2
69.06985	6.3
69.32722	2.3
73.42516	2.4
80.04864	2.2
81.06963	13.5
85.02835	13.0
87.28324	2.4
93.06958	12.5
95.08549	37.2
97.02821	3.2
105.06959	9.2
107.08528	31.7
109.10085	17.6
113.30424	2.6
119.08513	21.4
121.10114	19.8
123.11678	3.1
133.10104	15.4
135.11647	15.2
147.11691	14.6
149.13248	10.5
152.37250	2.7
161.13223	6.2
163.14769	13.6
170.35732	2.4
172.95226	10.7
175.14775	4.4
176.04459	4.6
176.52318	2.6
176.94676	2.7
177.16310	3.3
187.14673	4.0
189.16296	23.5
190.16626	4.5
190.96277	11.1
191.17862	36.3
192.18260	6.4
201.04999	5.3
201.16379	3.9
203.17905	36.1
204.18292	5.3
205.04697	58.7
205.19466	2.8
216.07512	33.1
228.97882	2.6
229.19655	4.0
233.07805	24.4
249.18494	6.0
286.26865	2.8
373.01822	3.7
411.35883	6.3
427.17355	12.0
439.35513	18.3
440.35822	14.5
443.16592	4.2
458.43939	2.7
535.43658	3.1
637.15656	4.5
637.25940	100.0
638.26270	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	637.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96497	5.3
63.70997	1.2
64.66576	1.1
72.34196	1.1
75.41036	1.1
95.08559	1.8
102.92503	2.4
109.02812	1.6
136.93109	2.5
146.99599	1.8
154.94122	20.0
171.11258	1.2
172.95195	91.6
174.80252	1.6
174.98413	1.6
190.96245	100.0
195.96739	3.0
196.95261	1.6
210.96756	9.7
213.00060	2.7
213.97835	2.3
214.96268	6.1
228.97794	21.7
238.96275	1.7
240.97794	1.4
246.98741	9.1
251.99536	1.8
280.97079	2.5
298.98459	11.7
316.99405	23.2
335.00391	2.4
339.21939	13.2
373.02155	1.6
457.21033	5.5
461.13354	3.1
475.21149	33.8
476.21451	2.1
488.37823	1.6
493.22278	5.8
504.47073	1.4
623.57281	1.4
637.26483	58.9
637.36273	2.0
638.26337	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00256	1.8
54.81123	1.1
55.05445	10.3
57.07010	63.1
60.27036	1.1
65.03854	8.1
66.79054	1.3
72.58000	1.2
74.41085	1.2
74.62794	1.2
74.91921	1.2
83.04895	92.3
84.05158	1.4
91.05405	17.5
98.98402	8.4
104.06187	1.5
105.06971	7.8
105.90599	1.3
107.70851	1.4
115.05430	1.8
119.08525	10.6
122.82027	1.4
129.06975	2.0
131.08510	2.6
132.09299	2.3
133.10109	1.6
141.06937	12.6
147.08035	1.9
147.11671	49.4
151.01556	12.0
159.08009	6.9
161.13226	2.1
163.01480	3.2
169.07549	7.0
175.01523	14.4
227.04723	10.5
239.04636	11.9
252.53247	1.4
260.99194	2.9
337.02267	88.8
393.08527	23.0
394.08817	2.5
413.05045	2.2
469.11514	8.4
525.17847	22.0
526.18158	2.3
535.21002	1.4
581.24158	100.0
582.24054	9.0
637.30334	47.7
638.30676	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	637.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	1.6
56.04964	1.5
56.96504	1.6
57.73705	0.3
60.04457	1.3
61.01072	0.3
61.59616	0.3
65.03844	0.4
69.06982	0.5
70.06504	12.0
70.45378	0.3
72.08063	4.7
74.04732	0.3
74.06013	0.4
79.05401	0.4
80.31953	0.3
80.34531	0.3
81.06998	0.4
83.06030	0.4
83.73922	0.3
84.04431	2.7
84.08058	8.0
85.02805	0.6
86.09628	6.6
88.03948	0.4
91.05421	0.7
95.04893	1.4
95.08536	0.5
98.97556	0.6
101.07069	0.4
102.05489	1.3
103.05428	0.5
105.06962	0.5
107.04922	0.4
109.10144	0.3
110.07099	2.7
111.04430	0.6
111.94518	0.3
113.07129	0.3
115.42255	0.4
117.75867	0.3
120.08073	1.9
123.04386	1.2
127.08598	0.6
127.16335	0.4
129.10208	3.6
130.05022	0.3
131.04916	1.2
136.07550	2.0
137.05957	2.0
149.64973	0.3
151.03868	0.6
153.05421	0.4
165.09135	0.7
183.06471	0.5
184.02745	2.4
197.04385	0.6
202.03810	3.8
228.05490	0.4
246.06421	0.5
257.10486	0.4
260.08069	0.4
264.13791	0.6
265.12219	1.8
266.10529	4.1
270.10254	0.4
281.11673	0.4
282.15027	0.4
283.13257	6.3
284.11600	8.9
293.11588	0.8
301.14255	3.9
302.12491	0.4
309.11224	1.6
311.12793	0.7
327.12527	0.5
329.15530	0.5
331.16873	0.5
337.14349	2.1
343.15475	0.6
347.16843	0.4
349.18127	0.7
353.41849	0.4
356.16479	1.3
374.17358	2.5
375.16196	0.4
392.18451	1.3
393.16873	10.7
408.21384	0.6
411.17984	0.5
450.22595	0.5
455.27020	0.4
473.27988	1.4
474.26044	0.5
485.52643	0.4
491.28815	3.4
492.27347	2.8
509.30002	20.8
510.30441	0.7
575.35107	0.6
601.32898	0.5
619.33508	2.5
637.35162	100.0
638.35425	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	639.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.3
55.59243	0.3
55.88979	0.3
64.33073	0.3
65.03859	5.2
69.03377	0.3
70.49925	0.3
74.76415	0.3
80.41362	0.3
93.03316	0.4
95.04884	0.4
105.03302	0.4
110.32712	0.3
121.02832	2.0
131.04910	0.3
139.03883	4.6
147.04387	0.7
149.02318	100.0
149.03395	6.1
150.02629	1.4
174.65443	0.3
175.03897	0.7
177.05426	0.5
193.04922	71.2
194.05304	2.3
219.06480	1.2
237.07529	39.8
238.07722	1.7
253.45135	0.3
269.04367	0.8
280.21329	0.4
297.03821	1.5
313.07056	0.8
341.06534	4.7
359.07291	2.1
385.04132	0.6
385.08972	8.0
429.06183	0.5
429.11636	10.1
430.12247	0.5
432.03534	0.4
577.13342	7.0
578.13287	0.6
621.15857	12.0
622.15991	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01794	1.6
55.05437	9.4
57.03358	3.6
57.06997	1.9
61.02835	6.6
61.54537	1.4
67.05405	2.3
69.03341	12.3
69.06981	15.8
70.06493	12.5
71.04893	1.8
72.08044	5.9
73.02808	3.4
79.05389	2.0
81.03323	2.8
81.06948	6.1
83.08525	7.0
84.04425	3.2
84.08042	10.0
85.02825	70.5
86.09618	10.0
90.12652	1.4
91.03869	2.4
91.05392	3.4
93.06953	2.4
93.07627	1.4
95.08509	3.5
97.02821	17.2
99.04323	1.5
100.90636	1.5
102.88145	1.4
105.06956	3.5
107.08450	1.8
109.02793	5.6
109.10081	3.0
110.07101	2.9
119.08513	8.2
120.08057	2.0
121.10114	3.0
123.11611	11.7
127.03848	9.7
129.10229	2.8
131.08499	2.4
132.05656	2.6
137.05931	2.4
137.13133	2.2
145.04919	13.0
145.06491	2.0
145.10149	2.1
147.08014	83.7
149.09572	3.4
154.74185	1.8
158.07239	2.6
159.08005	10.7
161.09534	13.8
163.05933	6.2
167.06958	3.7
168.07321	1.6
171.07983	7.7
172.08768	3.0
173.09590	17.5
175.11121	9.6
184.08757	8.9
185.09590	15.0
187.11145	50.8
198.10262	1.9
199.11118	41.9
201.12709	12.3
213.12640	19.9
227.14256	13.4
231.70842	1.7
241.15863	2.8
283.20490	100.0
301.21454	9.5
321.04309	1.7
366.30063	2.0
616.39374	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	0.8
54.88164	0.8
55.01812	2.0
55.05459	1.4
57.03373	3.3
61.02854	1.4
67.05426	1.5
69.03349	6.9
69.06979	3.7
70.06496	1.8
72.08047	1.1
73.02820	1.4
77.18005	0.9
79.05398	0.8
81.03326	1.6
81.06969	5.4
83.08559	1.1
84.08055	3.5
85.02826	42.4
86.09636	1.2
91.05408	1.0
93.06940	1.1
95.08546	3.7
97.02827	11.3
99.04345	1.1
104.86501	1.0
109.02812	4.9
109.10113	8.2
119.08550	5.9
120.08078	0.8
121.06482	3.4
123.11655	12.9
124.21529	0.9
127.03886	10.0
131.08530	6.2
132.05768	1.6
137.13248	1.5
144.09286	1.6
145.04976	9.1
145.06421	1.9
147.08025	52.6
149.09589	3.5
158.07233	10.2
159.08018	25.4
159.11615	6.6
161.09534	9.3
169.10136	1.2
171.08026	4.6
172.08830	11.2
173.09564	28.7
175.11200	3.5
184.08810	3.7
185.09598	4.8
187.11143	100.0
188.11662	1.4
189.12679	1.0
196.94986	0.9
199.11142	12.6
201.12752	1.6
213.12692	8.1
227.14331	3.8
283.20544	16.9
301.21603	31.2
430.26849	1.0
467.73706	1.1
552.93231	0.9
641.45923	59.4
642.46295	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	642.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05451	24.4
57.03379	15.4
57.07005	16.5
61.47842	2.3
64.33450	2.8
67.05424	20.1
69.06987	37.1
71.08533	3.5
72.71912	2.5
79.05417	5.3
79.90951	2.5
81.06985	31.0
83.08541	23.3
86.90313	2.4
87.72958	2.4
93.06975	19.2
93.31413	2.8
95.04912	5.2
95.08535	18.8
97.06445	3.4
97.10122	14.0
107.08551	12.1
109.10108	5.2
116.66239	2.7
121.10095	14.9
122.06001	4.1
123.11664	5.1
135.11682	6.8
137.92203	2.7
149.71916	2.7
157.32649	3.0
188.09183	6.5
220.03749	21.5
268.05698	6.5
286.06662	4.7
304.07919	6.1
339.28867	100.0
340.29196	5.1
352.81439	2.8
414.62485	3.0
557.08978	3.0
642.36627	3.6
643.29688	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	642.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05440	5.5
55.15606	1.3
57.07013	45.3
69.06987	7.5
70.26662	1.3
71.08180	2.5
71.08546	37.2
73.06477	10.0
78.60681	1.4
83.08549	3.1
85.10095	20.3
87.04373	3.4
89.05952	100.0
96.37608	1.5
97.10117	5.9
107.06995	5.9
107.78168	1.4
117.09131	1.7
125.13208	1.4
127.14742	1.5
133.08565	32.5
177.11122	11.9
199.11220	2.2
221.13905	2.0
239.14877	1.5
260.02472	1.4
283.17267	1.8
299.29419	2.4
343.32068	2.7
415.25278	5.6
625.48804	14.0
642.51337	5.8
673.66663	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46154	3.2
54.77007	3.7
55.05435	19.0
55.62913	3.8
57.03360	10.0
57.07009	54.7
67.05433	51.4
69.06971	22.1
71.08550	34.1
79.05409	40.6
81.06973	56.2
83.04873	4.3
83.08528	9.6
85.06432	3.8
85.10104	9.6
91.05370	17.7
93.06956	35.3
95.04896	8.4
95.08513	35.4
97.10039	4.6
105.06957	16.2
107.08514	17.4
109.10104	21.0
117.06964	6.9
119.08565	5.2
121.10059	7.2
127.96818	4.0
135.11595	5.0
277.21463	6.2
313.27240	25.2
351.25180	9.4
351.29279	4.8
407.11353	4.3
467.58273	4.9
507.40350	100.0
508.40283	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	643.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11519	0.2
55.01825	0.2
55.05442	0.7
56.04977	0.4
57.03378	0.2
60.04457	0.4
60.27608	0.1
68.70202	0.2
69.03349	0.3
69.06985	1.4
70.06509	31.9
71.06837	0.4
72.08063	2.2
74.05968	0.2
75.38147	0.2
82.92323	0.2
83.06013	0.2
84.04427	1.6
84.04855	0.2
84.08070	2.8
85.02827	0.7
86.09623	2.4
91.05410	0.7
92.77179	0.2
93.06984	1.3
95.04868	0.2
96.27675	0.2
97.02849	0.2
98.97557	0.2
102.05475	0.8
103.05403	3.5
110.07116	2.0
112.08665	0.3
114.05480	0.9
115.03910	0.3
116.07041	76.2
116.98557	0.2
117.07364	0.9
118.65078	0.2
120.08057	100.0
121.08407	1.8
127.03751	0.2
129.10204	1.8
130.06470	0.2
131.04913	0.2
136.07562	0.3
137.05882	0.3
154.89868	0.2
156.07567	0.2
168.16162	0.2
250.88094	0.2
263.13846	40.4
264.14114	1.0
377.16650	0.2
415.47549	0.2
419.10739	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14571	0.9
53.29585	0.8
54.44445	0.8
57.06993	1.9
69.06995	1.4
71.08537	2.6
77.00806	5.1
79.05403	1.0
79.90639	1.1
83.08539	1.0
85.02866	1.0
88.50652	1.0
95.01855	6.3
100.87296	1.0
106.39351	1.0
109.06469	1.6
131.01894	1.5
169.51927	1.2
171.04994	1.4
185.06560	16.2
203.07570	11.2
225.09511	1.2
225.13252	4.2
227.11093	1.2
241.12726	2.3
243.14360	44.3
244.14594	1.4
257.12250	2.4
261.15460	22.2
263.11234	2.5
264.11954	1.4
281.12222	10.0
285.24142	4.8
309.18845	1.2
315.18130	1.8
333.20291	100.0
334.20557	6.2
351.20074	69.0
352.20398	8.5
374.21664	5.2
424.49432	1.2
643.40234	21.9
644.40253	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	644.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18726	0.3
56.04961	2.4
60.04451	9.2
69.03352	0.8
70.06517	0.6
72.04454	0.5
72.08054	1.1
74.05988	9.8
84.08086	0.7
84.26134	0.5
85.02823	0.8
86.05994	1.8
86.09624	100.0
87.05507	5.5
87.09973	2.1
97.02821	0.6
102.05484	3.2
110.07129	0.6
113.07059	0.8
120.06532	10.6
128.10643	4.2
129.10315	0.5
130.04959	1.2
131.08147	2.2
132.10185	2.0
143.11775	37.8
159.07602	1.9
162.50380	0.5
171.11269	9.9
173.12816	40.6
187.07141	2.1
201.12299	13.2
203.13878	0.7
215.13858	2.3
272.15994	13.7
290.17035	12.3
307.97192	0.6
315.90082	0.5
414.25473	0.5
450.23560	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50841	0.4
55.01823	0.6
55.05450	1.2
57.07003	1.4
57.65362	0.7
59.04943	0.6
61.02833	0.5
67.05425	2.3
69.03340	2.6
69.06985	5.1
70.06503	1.2
72.08104	0.7
73.02834	0.6
79.05420	0.6
81.03309	0.8
81.06969	5.4
83.08537	2.5
84.04434	1.0
84.08073	3.4
85.02827	12.4
86.09613	3.1
91.05404	2.2
93.06961	5.5
93.96483	0.6
95.08532	18.0
97.02821	1.3
97.06464	3.6
97.10104	1.1
105.06979	10.6
107.08518	5.4
109.02784	1.2
109.06470	2.6
109.10114	12.9
110.07130	0.8
119.08537	10.6
121.06458	40.9
121.10095	4.5
123.08012	0.7
123.11626	4.8
125.13218	3.2
127.03852	2.3
129.10187	1.1
129.78142	0.6
131.08546	3.3
133.10094	5.6
135.08012	4.2
135.11641	5.2
137.05905	0.8
137.13249	1.2
143.08488	0.7
145.04906	2.1
145.10100	5.6
147.08009	7.9
147.11649	3.8
151.14796	6.6
157.10086	0.9
159.08101	0.8
159.11673	1.4
161.09584	6.9
161.13246	1.4
163.06036	0.6
167.06940	0.7
171.11653	5.1
173.09662	0.7
173.13220	30.9
175.11176	3.1
175.14754	2.7
177.12793	0.7
180.69081	0.6
187.11200	0.7
187.14839	5.4
189.12703	5.2
189.16338	7.4
197.13338	0.7
201.12735	2.7
211.14720	0.9
215.14288	2.8
229.15782	1.2
243.17496	0.7
243.20921	0.9
246.24277	2.9
251.80779	0.6
267.21030	7.7
285.22037	13.9
303.23117	100.0
304.23355	3.5
465.28427	1.1
622.15894	0.7
644.33887	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3452
Annotation	Ervafoline
Peak:m/z	Relative Intensity
54.81708	0.2
55.05451	0.7
56.04965	0.9
57.05746	0.2
60.04455	3.4
67.05421	0.2
68.04938	0.2
69.06985	4.5
70.02884	0.2
70.06507	82.6
71.06828	1.0
72.08070	3.2
72.21824	0.2
74.05984	0.7
83.06024	0.2
84.04434	2.4
84.08062	4.9
85.02835	0.3
86.09623	100.0
87.09955	1.1
88.03909	0.3
91.05382	0.2
95.08485	0.2
98.60685	0.2
101.07054	0.3
102.05472	1.4
103.05370	0.3
105.06905	0.2
106.04970	1.0
107.04902	0.2
110.07133	0.9
112.03906	3.3
112.07530	0.3
112.08695	0.2
115.08628	0.2
116.03394	0.2
116.07042	0.8
120.08057	1.6
120.08804	0.2
123.04391	0.3
123.59902	0.2
126.05424	0.2
127.03862	0.2
127.08606	0.2
129.06540	0.2
129.10196	3.3
130.04968	0.7
131.04913	0.7
136.07549	0.3
137.05940	0.8
139.08650	0.4
141.10254	0.2
147.07657	0.4
155.08138	0.2
155.11786	0.2
156.07713	0.2
157.09695	8.4
161.05986	0.7
163.07489	0.3
167.06979	5.7
167.08125	0.4
168.07346	1.3
169.09711	0.2
169.13342	0.2
175.07152	0.8
185.05583	0.2
185.09161	7.0
187.10805	0.2
193.08200	3.2
197.12833	0.8
199.18005	0.3
201.12247	0.2
215.10178	0.2
217.08116	0.2
225.12288	6.4
231.29863	0.2
243.13333	6.5
254.11345	1.5
272.12341	1.4
285.13205	0.3
286.13779	0.2
288.16776	0.2
290.13394	34.0
291.13705	0.8
328.22168	3.3
356.21756	4.4
376.65421	0.2
403.21518	0.2
600.79388	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81889	6.0
55.05444	13.3
57.03366	7.5
67.05421	10.7
67.64658	6.0
69.03331	6.9
69.06982	11.1
70.06493	36.5
72.08050	13.8
79.05400	11.1
81.06966	30.6
84.04438	5.7
84.08051	33.7
84.83723	6.9
85.02838	69.6
86.09593	24.1
91.05372	25.1
91.60087	6.8
93.06979	47.5
95.08543	37.4
105.06976	72.2
107.08546	48.7
109.02854	10.2
109.10110	29.8
114.02618	6.2
119.08546	59.8
119.18497	6.3
121.10053	15.9
131.08563	46.4
133.10065	29.5
133.64209	5.9
134.99744	7.1
135.11664	9.5
137.05899	8.8
143.08548	24.4
145.04985	6.7
145.10094	44.8
147.11664	26.2
157.10057	16.1
159.11678	14.7
167.07042	9.7
169.10060	6.4
170.31401	7.3
171.11694	12.5
173.13269	9.3
183.11687	25.8
184.27290	7.6
197.13255	8.9
201.16379	9.1
211.14764	15.7
225.16426	13.9
236.09869	7.4
239.17850	12.5
257.22632	9.6
258.11600	6.6
267.20947	63.3
285.22052	100.0
303.23169	36.5
449.33221	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	645.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05437	1.0
57.03357	1.1
57.07006	2.3
64.48497	1.0
67.05415	1.5
69.51022	1.0
71.08548	1.1
79.05403	1.2
81.06962	1.7
89.05933	4.3
92.64415	1.1
95.08504	1.5
101.38390	0.9
121.10050	0.9
133.10147	1.4
157.27869	1.2
164.04337	1.0
209.32927	1.0
298.37857	1.2
311.57468	1.0
333.20477	1.8
349.48853	1.1
389.22849	2.5
621.27124	1.3
645.47729	100.0
646.47827	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	646.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75240	0.4
53.03879	0.5
55.05455	4.4
57.03374	1.0
57.07002	3.8
58.93817	0.4
61.02858	1.8
65.03861	0.5
66.14329	0.4
67.05431	4.9
69.03347	2.7
69.06989	25.6
70.06509	1.5
71.04902	0.7
73.02835	0.8
79.05392	3.9
81.03320	2.6
81.06974	16.4
83.08535	7.1
83.55901	0.4
84.08073	0.5
85.02827	19.1
86.09616	0.6
91.03871	0.8
91.05398	7.6
93.06970	17.9
95.04889	0.8
95.08530	25.9
97.02798	5.6
97.10091	2.9
99.04407	0.7
103.05423	0.8
105.06973	92.1
106.07298	1.6
107.08532	13.9
108.12474	0.4
109.02823	0.8
109.10098	12.7
111.11660	1.6
117.06960	2.9
119.08537	29.9
121.10088	13.0
123.11642	8.9
125.13231	8.9
126.90543	0.4
127.03862	3.0
129.06975	0.8
131.08527	28.3
133.10091	16.2
135.11627	6.2
137.13237	6.0
143.08516	7.6
145.04936	5.2
145.10098	18.3
145.77475	0.5
147.11676	11.5
149.13179	3.1
151.14783	1.1
157.10097	11.2
159.11647	9.3
161.13200	9.8
163.06001	0.9
163.14789	2.3
169.10027	0.5
171.11661	7.2
173.13231	10.7
175.14787	15.0
177.16394	2.0
180.08603	0.7
185.13214	4.9
187.14801	5.3
189.16338	26.1
198.14125	0.8
199.14767	7.4
201.16342	1.1
211.14870	0.5
213.16341	15.7
215.17929	3.0
226.16960	0.5
227.17876	9.4
229.19444	0.9
241.19476	5.0
243.21019	11.2
245.18878	1.1
269.22574	100.0
270.22949	5.0
271.24149	12.6
287.23599	14.5
287.26563	0.8
325.11209	0.6
374.45877	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07019	0.8
53.03895	0.9
55.05442	1.8
55.48973	0.8
57.03363	1.4
61.02855	1.3
67.05419	5.4
69.03342	4.9
69.06983	6.3
70.06513	9.4
70.42146	0.9
72.08072	1.6
79.05404	3.8
81.06973	14.2
83.08527	4.3
84.04415	1.4
84.08064	5.5
85.02821	14.3
86.09624	7.7
86.35323	1.0
91.05396	8.3
93.06968	15.8
95.08530	21.4
97.02814	4.9
97.10069	1.2
102.05461	1.1
105.06967	29.9
107.08551	13.7
109.10098	11.0
110.07156	1.5
115.05405	0.9
117.06995	2.2
119.08521	20.8
120.08047	1.2
121.10096	13.3
123.11619	7.9
127.01823	1.0
127.03918	1.6
129.10193	3.6
131.08533	23.6
133.10110	10.4
135.11656	4.1
142.07785	1.2
143.08525	6.9
144.09251	1.1
145.04918	1.5
145.10085	16.2
147.11659	10.7
151.14799	1.2
157.10112	11.5
159.11664	6.8
161.13197	9.4
163.14760	2.1
171.11659	5.5
173.13208	5.4
175.14771	13.9
177.16365	1.6
183.11501	0.9
185.13205	5.4
187.14761	2.2
188.92027	0.9
189.16348	34.5
199.14778	6.4
213.16341	16.5
227.17807	9.3
241.19424	4.8
269.22565	100.0
270.22870	4.1
287.23654	14.5
618.77460	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18644	0.5
52.26884	0.4
53.03867	0.7
55.01792	0.7
55.05441	2.4
56.19859	0.4
57.03363	3.1
57.07002	2.8
61.02854	5.3
67.05425	4.0
69.03348	10.3
69.06982	10.8
70.06509	1.1
71.04907	1.0
73.02831	1.0
79.05399	2.7
81.03319	4.0
81.06971	10.7
83.08555	3.6
84.08051	1.1
85.02821	63.6
86.09614	1.2
87.04395	0.6
91.03864	3.1
91.05401	6.7
93.06971	10.5
95.04864	0.8
95.07959	0.8
95.08527	15.7
97.02219	0.9
97.02808	13.5
97.10059	1.1
99.04370	2.5
103.03899	0.7
103.05354	1.0
105.06963	39.7
107.08529	8.3
109.02817	5.7
109.10091	9.9
110.07134	0.6
111.11672	0.8
115.05399	0.5
117.06949	2.6
117.20924	0.6
119.06101	0.5
119.08522	17.7
120.08095	0.5
121.10089	10.1
123.11646	9.3
125.13220	2.6
127.03854	14.0
129.06952	1.1
131.08531	20.5
131.51701	0.6
133.06413	0.8
133.10072	6.9
135.11633	2.6
137.13228	2.2
143.08543	4.9
145.04930	22.6
145.10086	12.8
147.11679	4.6
149.13202	0.7
151.14839	1.0
157.10081	6.5
159.11658	7.2
161.13191	10.6
162.50017	0.5
163.05966	7.7
163.14734	0.6
167.06982	2.5
169.95108	0.5
171.11636	4.8
173.13228	19.2
175.14764	12.3
177.16296	1.0
181.04851	1.0
185.13190	10.0
187.14767	2.5
189.16318	7.5
193.08591	3.3
199.14778	3.8
201.16449	0.6
213.16344	8.0
226.17046	0.8
227.17941	7.4
241.19374	5.6
269.22559	100.0
270.22955	3.2
287.23627	14.3
289.09006	0.8
325.11188	8.6
431.27701	1.1
623.41626	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29599	7.0
55.05448	39.6
56.44102	6.5
57.03380	9.5
57.07008	5.9
64.32593	8.5
67.05432	86.0
69.06971	15.0
79.05402	100.0
81.06985	87.4
83.08539	9.0
91.05411	92.5
93.06966	75.5
95.04905	11.0
95.08512	62.2
105.06961	89.9
107.08525	33.3
109.10126	12.6
117.06951	9.2
119.08560	54.2
121.10072	15.8
123.29752	6.6
131.08498	36.1
133.10107	50.7
135.11653	12.7
143.08490	10.4
145.10080	14.6
147.11639	30.5
159.11736	10.6
173.13312	8.8
199.14886	8.0
202.75459	7.7
225.30594	8.1
254.14639	6.9
259.20493	32.7
261.21942	8.3
315.23398	8.1
333.24252	13.8
335.25824	45.1
378.23224	7.1
611.46057	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	647.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03360	1.9
57.06999	4.0
59.93946	1.6
62.44003	1.5
67.05424	7.2
69.06951	1.6
70.88989	1.7
71.08550	2.5
81.06974	6.5
93.06988	2.3
95.04870	1.6
98.12845	1.7
114.05769	1.6
137.42351	1.8
177.17270	2.0
335.21951	3.5
505.26505	1.8
647.48364	100.0
648.48798	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	648.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	1.8
55.05236	2.2
55.05454	39.0
57.03364	15.5
57.07010	8.2
64.05056	2.2
65.03867	3.2
67.05082	3.5
67.05427	90.0
69.06986	30.8
71.08520	2.0
77.58418	2.2
79.04958	3.1
79.05412	57.7
79.97890	2.4
81.06974	100.0
83.08532	11.7
85.54009	2.3
86.89555	2.4
91.05404	65.5
93.06978	58.7
95.04887	5.1
95.08537	71.0
97.06497	2.5
97.10112	4.0
105.06975	60.5
107.08533	33.5
109.10124	20.4
109.85209	2.4
111.07995	2.7
117.06960	19.5
119.08544	49.8
121.10098	24.2
123.11613	4.4
129.06944	8.6
131.08516	24.3
133.10100	48.7
135.11633	11.2
142.02614	2.3
143.08530	9.6
145.10057	19.6
147.11655	29.4
149.13263	3.2
157.10056	4.9
159.11649	15.6
161.13187	11.0
171.11592	4.2
173.13268	2.7
175.14748	4.2
185.13080	3.2
225.65042	2.5
241.19441	14.9
259.20486	39.1
264.56183	2.3
333.24133	24.6
335.25787	3.7
337.27307	37.0
362.85202	2.4
379.30200	2.3
417.85556	2.4
595.46808	9.7
613.48077	24.4
647.47925	3.9
648.48529	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	648.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81321	11.0
55.05441	39.0
57.03366	17.3
67.05423	100.0
67.05721	9.9
68.84267	7.8
69.06989	36.5
73.55559	7.9
79.05407	69.1
81.06972	96.4
83.08537	10.0
86.84722	8.6
90.60809	10.1
91.05407	43.1
93.06969	70.4
95.08519	97.5
105.06979	49.6
107.08528	41.8
109.10070	10.4
117.07012	11.7
119.08537	38.7
121.10103	22.3
131.08554	14.4
133.10126	20.2
135.11621	19.5
145.10065	17.7
149.13232	18.3
173.13248	10.1
190.38884	9.6
259.20737	11.7
261.22110	11.9
335.25888	40.7
337.27103	13.1
613.47980	17.5
648.48474	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	649.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77623	1.0
55.05445	2.1
57.07008	1.2
67.05422	2.6
69.06982	2.2
79.05416	1.8
81.06958	7.2
83.08566	1.5
91.05401	15.1
93.06960	7.2
95.08512	7.0
105.06960	10.9
107.08517	7.0
109.10078	6.4
115.98895	1.2
116.17399	1.1
119.04884	29.8
119.08520	6.6
121.10091	27.7
123.11669	2.1
126.74280	1.2
131.08574	3.2
133.10106	11.2
135.11635	7.8
137.05956	2.5
137.13170	2.0
143.08597	1.9
145.10078	6.8
146.70061	1.3
147.04379	100.0
147.11629	5.0
157.10085	8.2
159.11635	8.9
161.13213	2.4
162.32826	1.4
165.05443	7.2
171.11652	9.7
173.13274	6.7
175.14769	2.6
179.14360	2.9
187.14813	1.7
189.16458	1.5
199.14738	5.8
209.13155	1.4
211.14714	1.4
213.16348	12.7
214.58218	1.4
215.17775	1.9
231.10666	1.2
237.16463	1.5
254.22404	1.4
259.16873	2.8
305.17432	1.4
335.20901	1.6
371.20663	1.4
395.32455	1.5
421.30807	2.8
439.32156	2.6
467.31326	5.9
485.32391	8.6
631.36322	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.41
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05457	4.9
56.47851	1.0
57.06999	1.2
63.95227	1.0
67.05418	4.8
69.06991	2.9
70.55943	1.1
76.76724	1.3
79.05402	2.1
80.26806	1.2
81.06970	9.7
83.08525	1.8
89.03847	6.5
91.05428	5.0
93.06969	5.6
95.08531	13.1
105.06959	8.7
107.08537	11.9
109.10107	9.6
117.03329	27.5
119.08548	16.2
121.10102	29.1
121.64313	1.1
123.11648	4.7
131.08524	2.2
133.10077	14.2
134.03618	1.5
135.04420	2.3
135.11638	11.9
137.13170	1.4
143.08578	1.8
145.02827	77.5
145.10110	9.3
147.11671	9.4
149.05986	9.9
149.13237	2.9
159.11658	6.3
161.13239	7.7
163.03891	2.4
163.14792	2.5
171.11688	1.3
173.13258	6.0
175.14769	6.1
177.05432	100.0
177.16324	1.6
178.05779	2.1
179.14265	2.6
185.13293	1.6
186.05492	1.3
187.14795	7.3
189.16365	8.3
195.06497	11.6
201.16388	1.8
203.17908	6.7
206.25060	1.2
215.17931	7.6
229.19470	16.5
241.19466	1.6
275.20090	1.4
351.30344	2.0
391.33609	5.1
409.34506	5.8
437.34073	4.4
455.35007	8.8
631.39490	2.1
649.31384	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05011	1.4
53.37648	1.4
54.81866	1.5
55.05443	3.0
55.78217	1.5
57.03384	2.2
58.16654	1.5
64.37971	1.4
64.79776	1.6
65.38583	1.3
67.02560	1.5
67.05426	9.0
69.06995	3.0
79.05405	7.6
81.06962	12.9
91.05414	3.2
93.06966	7.0
95.08526	8.2
102.99281	1.7
106.44673	1.8
107.08567	1.9
121.10041	2.4
281.19577	1.9
315.19360	11.6
327.53519	1.8
337.96014	2.1
341.65829	1.8
649.44244	100.0
650.44061	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	649.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85173	0.2
53.00236	0.2
54.82656	0.2
57.06739	0.4
57.07009	7.3
58.06504	0.3
62.06000	0.2
62.50695	0.2
70.06506	10.3
71.08543	2.9
71.34956	0.2
85.10085	1.0
86.09660	0.2
88.07552	16.0
102.09111	4.3
106.08605	8.2
117.48919	0.2
209.16330	0.2
212.23689	0.4
230.24719	0.9
245.88474	0.2
256.26276	5.2
274.27341	100.0
275.27689	3.7
340.28204	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06995	0.7
60.08094	9.7
60.21893	0.5
62.92160	0.6
67.05430	0.9
71.07298	5.1
76.56207	0.6
86.09625	48.8
98.98393	4.3
104.10675	4.6
124.99959	35.1
128.35605	0.6
147.79358	0.9
165.77019	0.7
184.07301	100.0
249.49989	0.7
304.56976	0.7
548.99927	0.9
650.43622	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	650.5351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54298	1.5
53.03878	1.8
55.05221	2.3
55.05452	33.2
57.03386	14.8
57.07006	8.4
65.03844	2.1
67.05424	100.0
69.06984	28.1
71.08554	1.8
74.11704	1.7
76.19238	1.7
79.05409	58.0
81.06501	4.1
81.06973	92.8
81.07453	3.2
83.08535	19.0
91.05407	33.4
93.06973	66.4
95.04879	4.4
95.08530	69.6
97.06441	2.1
97.10108	8.7
99.07996	2.5
105.06964	28.3
107.08539	29.5
109.06512	2.4
109.10111	22.3
111.08058	3.5
117.06945	4.3
119.08530	21.2
121.10107	23.8
123.11642	8.8
123.35345	1.7
130.05482	2.0
131.08522	17.7
133.10089	14.9
135.11691	15.7
145.10120	12.0
147.11635	8.9
149.13239	9.5
159.11635	8.4
161.13275	7.7
162.90691	1.8
163.14792	7.3
173.13251	8.1
175.14735	3.9
177.16298	2.9
189.16396	3.1
201.16585	1.8
207.97777	1.7
216.52997	1.7
243.21004	13.2
261.22083	13.4
292.34256	2.3
302.11145	2.2
317.24789	2.6
335.25787	27.2
337.27286	34.2
339.28732	2.1
597.48334	12.0
615.49707	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	651.224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34415	0.4
51.83990	0.5
54.67123	0.5
54.81521	0.6
56.96498	37.1
66.00114	0.6
66.94919	0.5
70.20535	0.5
72.08064	0.5
74.97517	0.9
89.57251	0.5
97.00101	0.5
97.99114	0.6
113.11837	0.6
118.06469	2.6
132.08044	1.3
144.08038	1.0
146.05977	9.3
147.06281	1.0
152.09996	0.5
174.02202	9.9
188.03836	1.0
188.06998	9.3
189.07434	0.9
192.03281	61.1
193.03569	0.9
205.09749	2.6
206.04843	15.5
207.02017	3.6
208.02719	1.0
210.04346	22.1
211.04669	0.6
215.04860	18.2
216.03282	0.7
216.05222	0.7
217.06421	18.8
218.04845	0.7
220.02829	3.9
222.04366	4.9
224.05890	8.7
225.03091	1.1
226.03992	0.7
229.02943	0.6
229.06302	0.6
231.04385	2.3
233.05922	26.2
233.08127	1.3
234.04288	2.0
234.09837	0.6
235.07491	30.3
235.09871	1.0
236.02277	1.3
236.05806	0.7
236.07983	0.7
238.03853	4.0
240.05417	2.7
243.04225	6.5
247.03914	3.6
249.05356	3.0
250.03607	0.6
253.08505	0.6
254.03551	0.7
261.05402	100.0
262.05753	3.3
265.04791	2.0
279.06458	97.6
280.06757	3.7
284.07004	3.7
304.80554	0.6
316.05963	3.3
334.06827	0.8
402.11139	4.3
404.12561	0.7
410.61334	0.6
430.10669	9.5
447.13300	96.8
448.13538	8.0
485.07880	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44136	0.4
55.05460	4.4
55.62437	0.5
56.04974	6.2
60.04455	1.0
62.17767	0.4
66.38737	0.5
67.05439	0.9
68.04958	1.4
68.48678	0.5
69.03342	1.1
69.06985	1.2
70.02863	0.6
70.06512	98.5
71.06859	1.1
72.08071	33.2
74.06005	2.0
82.06503	2.5
84.04430	7.2
84.08070	100.0
85.02858	3.0
85.08417	2.3
86.05984	0.9
86.09634	12.3
87.80222	0.5
88.03880	0.7
91.05416	8.4
92.63654	0.6
95.04906	0.8
96.08070	0.6
97.07606	3.5
98.05998	2.8
99.09131	0.5
101.07070	1.2
102.05463	2.2
102.58762	0.5
103.05418	2.8
105.03376	0.6
105.06981	1.0
107.04903	1.1
109.07639	0.5
110.07104	5.8
111.09167	5.5
112.07549	1.0
112.08689	0.8
115.08638	4.3
116.04964	2.0
116.07056	2.8
118.06496	11.4
119.04906	1.3
119.07271	1.2
120.08060	14.8
121.08492	0.7
125.07087	8.7
126.05476	0.8
127.08607	0.8
129.06599	0.6
129.10205	21.7
130.05020	0.6
130.06490	0.8
131.04944	1.2
136.07564	8.9
136.08537	0.8
136.11166	0.6
137.06010	2.7
137.07069	1.1
139.08681	0.8
143.08249	0.6
145.95552	0.6
146.05986	18.9
149.07095	0.7
157.09700	0.8
159.09174	0.6
162.05540	2.2
163.12332	1.3
164.06996	1.0
164.08174	2.0
164.10632	0.7
165.05460	1.1
165.09000	0.6
165.13805	3.8
167.08202	0.7
170.09607	0.6
172.11188	24.2
179.11748	1.0
181.13306	1.1
182.08034	1.2
191.11754	4.7
192.12634	1.1
193.13382	0.6
206.12897	1.2
208.14354	4.6
209.12846	11.4
215.11874	0.8
216.12543	5.6
217.13348	6.4
220.14513	0.8
223.07657	1.2
225.10115	0.7
226.15453	9.6
229.13353	2.0
233.12785	0.9
236.10666	2.6
243.11292	2.8
245.12952	4.4
248.13945	2.8
252.11320	5.1
261.12277	6.9
265.16702	0.7
270.11371	0.9
280.10690	0.6
282.11331	2.9
285.84808	0.7
308.17596	1.2
310.19092	0.6
322.26816	0.6
329.90213	0.6
335.18777	0.5
336.16901	4.8
353.19476	4.8
369.18130	2.3
371.20688	9.9
426.20215	0.8
454.19760	2.9
484.27240	1.2
523.25421	5.9
614.91791	0.6
633.34412	4.0
634.33197	1.0
651.34912	50.1
652.35590	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	651.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	11.4
57.03350	6.4
61.02860	6.3
67.05425	21.9
69.03344	20.8
69.06985	27.1
70.06506	22.4
72.08074	10.7
78.85853	4.5
79.05399	21.1
81.03326	7.2
81.06966	67.4
83.08530	19.6
84.08064	21.1
85.02823	76.5
86.09605	11.7
87.97093	4.5
91.05400	29.7
93.06971	59.7
95.08525	100.0
97.02814	6.4
104.49381	4.6
105.06956	71.4
107.08541	96.9
109.02809	9.0
109.10094	45.8
110.07108	7.9
111.08031	7.0
114.38660	5.4
119.08514	99.2
120.08033	6.6
121.10089	65.9
123.11643	25.3
129.10149	6.1
131.08537	49.7
133.10081	85.2
135.11646	40.1
137.13290	8.0
142.91029	4.8
143.08560	7.9
145.10097	87.6
147.11670	58.6
149.13239	19.6
157.10052	9.3
159.11650	58.3
161.13208	44.4
163.11121	7.5
163.14778	11.7
171.11610	11.0
173.13239	34.3
175.14801	57.1
177.12747	10.2
177.16302	53.3
185.13237	11.7
187.14757	57.5
189.16351	80.8
191.17946	8.4
199.14810	24.6
201.16331	58.8
203.17923	40.1
205.15840	95.8
207.17422	10.9
213.16302	8.0
217.15919	7.5
219.17435	20.9
231.17409	7.9
407.33051	88.8
425.34280	44.4
435.32330	21.0
453.33508	82.4
471.34116	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	651.4096
Annotation	Sutherlandioside C
Peak:m/z	Relative Intensity
55.05440	20.8
57.03372	5.8
57.06997	4.5
61.02819	6.5
61.65472	3.9
67.05415	19.7
69.03336	19.3
69.06981	20.4
70.06496	10.1
72.34669	4.6
79.05382	9.0
81.06969	57.8
83.08523	24.0
83.48526	4.3
84.08046	7.4
85.02821	56.4
86.09647	9.8
91.05399	20.0
93.06960	44.7
95.08529	96.7
97.02819	4.8
105.06977	79.8
107.08530	80.1
109.10087	45.4
113.46509	4.9
117.06959	6.7
119.08521	100.0
121.10089	83.5
123.11639	10.0
131.08510	44.5
133.10075	73.1
135.11642	49.6
137.13206	5.8
143.08528	9.2
145.10094	76.2
147.11661	58.5
149.13213	20.1
157.10097	18.6
159.11673	58.5
161.13229	42.9
163.11189	8.1
163.14749	26.5
169.10040	6.0
171.11621	5.4
173.13222	33.3
175.14838	56.1
177.16330	46.6
184.69073	5.1
185.13176	21.3
187.14746	62.2
189.16342	71.9
191.14304	5.9
191.17859	20.1
199.14815	26.9
201.16322	75.5
203.17946	31.3
205.15854	80.4
206.16064	4.6
207.17363	20.2
213.16373	19.7
215.17918	4.8
217.15775	5.4
219.17305	32.6
231.17375	5.4
407.32986	73.0
425.33978	48.6
427.31586	7.2
435.32504	23.8
453.33508	72.3
454.33789	9.7
471.34375	6.7
487.27060	5.8
528.76221	5.1
670.76947	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	652.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73281	1.0
52.77896	1.0
56.96482	2.2
58.33510	1.0
67.74864	1.0
69.03355	1.2
70.06511	3.0
72.08076	1.9
81.03308	1.2
85.02835	6.3
86.09620	2.9
97.02820	2.0
98.97523	2.6
116.07036	8.3
116.98582	2.0
117.05656	1.2
127.03945	1.5
128.92801	1.2
129.76382	1.2
134.99657	1.5
139.03851	3.0
146.99644	1.7
161.01312	1.3
177.00639	2.4
177.04126	1.2
215.02843	1.2
219.01707	1.4
229.15222	1.9
237.02788	3.0
245.10204	1.4
279.42673	1.5
284.10925	13.5
391.15649	100.0
392.15918	2.6
472.80548	1.3
501.23337	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00238	0.7
53.02683	0.5
55.05451	5.2
57.07008	47.1
60.30089	0.4
65.03859	1.0
67.05410	3.8
69.06978	2.3
69.12646	0.6
71.08565	0.7
79.05392	2.2
81.06962	3.5
83.04436	0.7
83.04897	14.3
83.08524	0.5
91.05407	6.0
92.10892	1.1
93.06951	3.0
95.04865	0.9
95.08533	2.8
97.10044	0.6
105.06949	4.2
107.08549	1.0
112.27296	0.6
113.33427	0.5
117.06958	2.3
119.08545	4.5
121.10039	2.4
123.37159	0.6
124.01940	0.6
128.06219	0.9
129.06972	0.8
131.08539	2.6
132.09283	1.2
133.10080	1.2
138.61983	0.5
141.06966	7.9
143.08521	5.3
147.02008	8.5
147.07939	0.7
147.11661	31.3
148.12015	0.8
151.01526	1.0
151.80032	0.6
153.29529	0.5
159.01971	0.8
159.08005	9.8
161.13231	0.8
165.03085	2.4
175.01526	5.1
187.02985	1.3
187.11165	0.7
187.14801	0.8
193.04163	1.0
195.05696	0.9
205.04114	3.5
211.05122	1.0
213.16380	1.1
215.14272	7.8
223.05135	51.0
227.04623	1.0
239.04530	2.6
241.06189	9.1
241.19412	0.7
243.17464	1.9
244.99713	8.0
261.22092	0.8
271.20526	7.1
279.11343	16.0
297.12421	3.7
321.02737	4.1
335.17593	5.2
335.25562	0.7
339.28854	2.3
377.08975	4.7
397.05701	4.4
433.15320	12.4
453.12131	7.0
509.18399	17.2
565.24780	16.6
566.24182	0.7
599.49603	0.9
621.30902	100.0
622.31390	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	652.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78523	3.0
51.68845	2.9
54.37697	3.8
55.01822	3.7
55.05439	27.4
56.04960	5.9
57.03352	4.1
57.07015	5.7
60.04456	3.5
67.05436	37.5
69.03344	24.0
69.06995	44.6
70.06504	58.8
70.80686	3.6
71.04910	15.4
72.08066	32.7
79.05401	30.6
81.06972	88.5
83.04885	8.8
83.08527	9.3
84.04426	25.5
84.08072	58.3
85.02829	8.8
85.06466	9.3
85.33957	3.6
86.09625	47.3
87.04377	7.3
91.05404	34.8
92.10267	11.3
93.06982	77.4
95.04893	8.1
95.08530	44.5
97.02825	6.4
97.06436	6.7
97.84218	3.8
98.01860	4.5
102.05483	6.5
105.06982	62.0
107.04949	5.1
107.08536	100.0
109.06451	6.3
109.10114	50.0
110.07128	8.8
111.08003	4.8
117.06976	7.6
119.04861	5.1
119.08534	44.9
120.08057	34.7
121.10091	62.5
123.04295	6.5
123.08076	4.8
123.11625	7.6
125.09559	7.6
129.10182	29.6
131.04921	6.4
131.08525	16.9
133.10100	39.5
135.11690	23.6
136.07515	6.0
137.05949	25.3
137.09615	6.4
139.11041	4.3
142.07755	3.9
143.08563	5.4
143.10658	14.6
145.10133	36.9
147.11646	16.9
149.13240	25.3
151.11162	7.7
157.10068	9.2
159.09178	5.1
159.11691	30.4
161.13194	18.5
163.11154	4.8
165.09082	6.2
167.07008	7.2
171.11505	12.3
173.13161	15.1
185.13225	8.0
187.14784	9.3
193.08664	5.8
199.14809	4.6
201.16342	16.1
205.04678	5.3
211.09503	7.8
213.16307	7.0
217.96359	4.4
259.26398	4.4
269.22546	25.4
287.23605	26.4
305.24631	9.2
420.38803	4.8
517.14471	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05451	9.7
67.05415	8.3
69.06979	19.2
70.06520	6.7
71.04900	4.2
81.06969	25.6
85.02831	19.0
86.09640	6.9
91.05402	5.7
93.06969	18.2
95.08528	47.9
97.02837	5.7
105.06973	20.6
107.08530	47.9
108.06660	4.9
109.10092	28.3
110.07122	4.8
116.89212	3.5
119.08544	38.2
121.10059	43.7
123.11636	6.4
126.71598	4.1
129.10112	5.1
131.08504	4.4
133.10066	35.4
135.11678	16.6
145.10086	18.9
147.11644	34.1
149.13248	25.3
159.11694	19.7
161.13225	24.4
163.11137	6.5
163.14781	15.9
173.13187	4.2
175.14828	19.4
177.16319	40.5
185.24649	4.1
187.14815	15.9
189.16356	65.8
191.17836	8.9
201.16342	20.1
203.17928	98.5
205.15840	55.2
207.17316	27.9
215.17816	7.3
222.12833	4.7
249.18420	9.3
324.10907	4.7
369.66788	4.8
409.34579	100.0
427.35556	9.5
437.33969	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64026	1.5
55.05450	1.5
56.27348	1.4
57.03338	1.4
67.05420	3.2
81.06988	3.1
95.08550	1.8
109.10139	1.7
155.96454	1.8
653.47302	100.0
654.47913	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	654.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81397	0.7
55.05446	6.1
57.06734	1.7
57.07007	46.0
63.50326	0.7
65.03858	3.3
68.41128	0.7
73.86472	0.7
81.03325	0.8
83.04893	61.8
91.05411	9.7
98.98380	3.6
105.06361	0.9
105.06944	7.4
110.63396	0.8
115.05380	1.9
117.06959	1.4
119.08524	6.1
129.06949	1.8
131.08484	0.9
132.09286	3.6
133.10101	1.8
135.69664	0.8
141.06927	8.8
145.06499	0.9
147.08034	1.4
147.11655	45.7
151.01526	6.2
159.08041	5.6
163.01503	4.3
169.07544	1.8
175.01520	10.6
181.02600	1.0
181.32794	0.8
211.01591	1.0
221.03476	1.2
227.04651	4.9
239.04570	10.7
260.99149	1.4
295.10736	1.3
312.59811	1.1
329.46381	0.9
337.02261	61.6
338.02380	1.0
368.49686	0.8
393.08450	25.8
394.08975	1.1
410.86221	0.8
413.05399	1.8
469.11603	14.4
470.11520	0.9
486.39212	0.9
525.17883	28.2
581.24176	53.3
582.24054	3.5
637.30365	100.0
638.30786	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	654.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90729	0.4
54.21689	0.4
55.05439	0.8
57.07014	20.2
65.03854	2.3
67.05430	10.8
83.04892	0.7
85.06483	3.4
91.05401	2.9
93.06989	0.5
95.04863	0.9
98.98397	6.3
102.24322	0.4
105.06985	2.0
115.05417	0.6
119.08568	0.7
128.06177	10.6
140.99463	1.0
143.08530	10.5
147.11667	15.9
161.09579	6.8
161.13216	2.1
165.03091	100.0
171.09128	0.9
173.03604	16.9
175.01535	2.6
183.04131	4.9
187.01505	0.9
189.16432	0.5
222.67958	0.5
223.05063	0.6
229.09860	3.7
231.86534	0.5
237.35501	0.5
239.08330	6.4
241.06177	16.9
297.12445	22.0
353.18716	31.9
354.18829	0.9
469.15442	0.8
525.21722	4.1
569.06482	0.5
581.28198	7.2
582.28223	0.6
637.34100	71.1
638.34808	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	654.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01812	9.4
55.05439	14.1
56.04947	6.2
57.06982	9.8
67.05434	13.4
69.03329	9.1
69.06981	14.8
70.06506	45.1
70.76099	6.0
71.04896	9.5
72.08063	12.1
72.65263	6.4
75.77899	5.6
79.05408	17.1
81.03325	39.5
81.06958	33.9
83.08535	10.6
84.04409	11.3
84.08054	31.8
85.02823	10.2
85.10117	12.4
86.09616	34.2
91.05406	11.6
93.06998	8.3
95.04894	14.1
95.08519	11.5
97.02822	7.1
97.21450	6.2
105.06956	28.1
107.08562	8.8
109.02823	73.7
109.10128	8.9
109.81165	6.6
111.08020	8.8
113.09585	13.4
119.08532	9.3
127.03866	13.1
140.35429	7.1
163.11108	9.6
165.12715	28.0
204.86014	8.2
271.60828	6.9
277.21561	46.6
295.22604	100.0
342.38068	8.0
403.24457	7.4
421.25925	8.5
456.61050	7.0
604.87445	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	655.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00235	1.3
55.05443	8.4
57.03373	7.7
57.07011	78.3
61.02567	1.1
61.02854	26.8
67.05426	17.2
69.03335	1.3
69.06984	11.9
70.93858	0.7
71.08546	53.7
73.02825	10.6
74.02752	0.5
75.04369	3.4
78.61896	0.8
81.03314	1.6
81.06509	1.0
81.06976	24.5
83.08537	19.1
85.02822	22.8
85.06498	0.8
85.10102	32.8
89.05922	1.3
91.03875	20.0
91.37492	0.7
92.10218	1.4
92.40698	0.7
93.06921	0.9
95.08533	43.0
97.02818	11.2
97.10104	8.7
99.04375	1.0
99.11639	0.9
103.07520	0.8
103.44215	0.5
107.08482	0.6
109.09401	0.9
109.10105	19.8
115.03883	1.0
123.11667	6.7
127.03889	5.1
129.17422	0.7
137.13214	3.6
138.04996	0.6
145.04965	7.2
162.43069	0.7
162.55263	0.6
163.05983	9.8
221.22533	0.9
239.23648	24.1
257.24631	6.5
313.27304	100.0
314.27594	4.2
316.06766	0.7
331.28397	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	655.39
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	15.8
56.96493	2.9
57.03372	6.3
57.06731	3.9
57.07013	84.1
61.02855	21.4
67.05426	22.5
69.06992	13.7
70.06517	3.5
71.08552	68.1
73.02832	3.1
75.04415	3.5
78.36006	2.3
81.06980	25.8
82.97391	2.3
83.08529	27.0
85.02821	19.3
85.10106	38.8
88.07561	3.6
91.03875	15.0
95.08529	50.8
97.02850	2.6
97.10118	10.8
109.10107	20.2
113.97678	2.4
115.68140	2.5
116.98573	2.5
123.11720	4.7
145.04967	5.2
163.06023	4.1
172.95209	5.3
187.10121	2.4
239.23639	23.0
243.22079	2.9
257.24789	2.8
302.30426	32.2
313.27289	100.0
313.30753	5.1
314.27701	4.2
331.28336	18.7
393.78558	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	655.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	1.3
55.82934	0.8
63.47897	0.7
63.61205	0.7
67.05436	5.8
68.93112	0.7
69.06991	1.1
81.06990	4.8
95.08537	2.1
119.08534	1.2
122.86790	0.9
149.06096	0.8
190.82642	0.9
204.89984	0.8
319.22455	2.0
337.27689	1.0
380.39694	1.0
413.12524	1.0
655.48969	100.0
656.49261	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	657.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02781	0.3
53.03865	0.3
55.01818	0.4
55.05443	0.8
56.04976	4.5
57.03366	1.8
60.04455	0.5
61.01060	2.0
67.05436	0.5
69.03360	4.8
69.06983	0.3
69.32791	0.3
70.02877	0.3
70.06509	9.2
72.08068	4.2
74.05972	0.5
79.05398	1.9
81.06963	0.8
83.06013	2.2
84.04428	4.8
84.07591	0.5
84.08068	9.9
85.02843	3.9
85.08427	0.3
86.09618	5.3
87.04375	2.0
87.05518	0.4
88.03927	2.5
88.26496	0.3
91.05391	3.7
93.04439	0.8
93.06962	1.6
94.04106	1.5
94.80304	0.3
95.04895	0.7
95.08546	0.4
97.02814	3.5
98.05988	0.6
98.97506	0.3
99.04366	0.3
101.07070	0.6
102.05468	2.1
102.80668	0.3
103.05405	7.0
104.05243	4.4
105.06995	3.6
107.04910	0.7
107.08537	0.5
109.06460	0.8
110.07117	19.2
111.04380	0.6
111.07462	0.8
115.03848	0.8
115.05412	0.8
115.08636	0.5
116.07030	0.4
117.06986	1.6
119.04910	0.7
120.08042	1.6
121.06435	3.4
122.03596	5.8
123.08032	0.5
128.06146	0.8
129.06940	1.8
129.10205	6.5
130.06512	0.5
131.04898	11.1
133.04924	0.6
133.06450	12.1
134.06868	0.6
135.08009	6.4
136.07587	0.7
137.05952	100.0
137.46170	0.4
138.06256	2.7
141.10155	0.3
143.08531	1.9
145.06456	4.7
147.07983	0.5
149.05968	1.5
151.03886	0.5
151.07503	7.2
156.07706	0.6
157.06477	3.4
159.09164	0.5
160.05089	0.5
161.05907	1.3
162.06740	0.6
163.07504	22.7
164.07832	0.6
165.09024	0.3
171.07921	1.9
173.09334	0.3
174.06783	2.5
175.07504	4.2
176.07959	0.4
176.11784	0.8
177.09036	0.6
181.08504	0.4
185.05605	1.4
187.07428	0.8
188.08324	0.5
189.09032	4.2
195.08321	0.3
203.06737	0.7
203.10608	3.1
205.08467	0.4
217.08369	0.5
219.08138	0.4
219.10129	0.8
231.06096	0.5
239.11258	0.5
240.13336	0.6
257.12350	0.4
263.10565	0.8
295.13266	7.4
327.15823	15.4
327.19620	0.6
328.16245	0.6
345.16702	2.6
388.48239	0.4
438.00696	0.4
450.82648	0.3
596.76740	0.5
656.28729	0.5
656.78925	2.1
657.29303	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00244	1.0
57.07016	10.2
58.06536	3.1
64.31504	0.7
69.06962	0.7
70.06512	25.8
70.06894	1.0
71.08544	1.7
72.08064	0.7
79.52032	0.6
81.80386	0.7
88.07554	27.8
92.10923	2.5
102.09118	22.6
109.58392	0.7
147.04425	1.3
149.02322	59.0
150.02682	1.1
177.05463	1.3
183.73509	0.7
193.04932	75.1
194.05339	3.4
199.69228	0.8
212.23814	0.9
219.06581	1.0
237.07524	20.9
256.26294	51.4
257.26620	2.9
269.04361	1.3
293.04059	0.7
297.04044	4.1
311.16360	0.8
313.07037	3.3
341.06464	13.4
359.07623	8.0
385.09113	25.2
386.09763	1.2
429.11743	33.7
430.12094	1.5
577.93884	1.0
658.35706	100.0
659.35956	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	659.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
62.92945	0.8
71.90860	0.9
76.55890	1.2
82.25262	1.1
89.05968	2.6
94.58441	1.1
125.21444	1.1
155.54504	1.1
215.59769	1.2
274.11859	1.2
292.42441	1.3
333.98605	1.1
391.16635	1.1
531.05200	1.2
659.28638	100.0
660.28906	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	659.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84851	0.4
53.99374	0.4
56.96499	26.5
56.96751	1.3
57.06964	0.6
62.05976	0.7
64.33692	0.5
71.08511	0.4
71.95141	2.6
74.97469	2.2
81.42539	0.4
84.95915	0.6
89.35722	0.5
92.98560	0.6
94.21840	0.4
97.96143	0.4
97.96701	4.1
98.97444	0.5
110.97464	0.9
115.97770	4.5
116.98488	1.2
122.36433	0.5
122.37331	0.5
128.98573	3.9
133.98787	2.6
134.99588	0.8
137.02641	0.6
145.01683	0.5
146.99611	8.0
148.00372	0.9
149.87091	0.5
151.99889	0.6
155.00186	0.5
155.03670	0.7
157.01514	0.5
160.00359	2.0
161.01131	2.4
165.00632	3.0
169.01698	0.5
171.03171	2.3
173.01154	3.0
173.04793	0.8
174.01904	0.6
175.02815	0.6
181.01634	0.5
183.03233	0.5
183.06837	0.5
185.01146	1.0
185.04774	4.0
185.98245	0.7
187.02716	1.8
189.04289	3.7
190.04935	0.8
191.02217	0.6
193.03867	0.6
193.31746	0.5
198.05594	1.2
199.02742	2.3
199.06325	3.3
201.04204	2.3
202.01460	0.8
203.02243	0.7
203.05864	6.4
204.02959	0.9
205.03886	0.5
205.07506	1.7
206.04358	0.6
209.04784	0.7
211.06323	0.7
213.04338	0.9
213.07988	5.0
214.04913	0.5
216.03070	0.6
216.06635	2.8
217.03708	2.9
217.07428	6.7
220.06223	0.5
221.06886	2.0
223.02725	1.2
223.06395	0.9
223.08354	2.1
223.10027	2.4
225.07921	3.1
226.08629	1.1
227.05801	0.9
227.09407	0.8
229.07350	0.9
231.05350	0.9
231.09012	8.4
232.09579	0.7
237.04234	2.4
238.05051	0.6
239.09492	8.4
241.03748	0.6
241.07187	1.7
241.11044	35.0
242.08133	3.7
242.11299	1.9
243.08957	2.6
244.09717	1.8
244.26331	4.8
245.06877	0.9
245.10484	2.5
245.26665	0.7
249.07777	0.6
251.09441	1.0
253.02817	0.5
253.10950	2.7
255.05298	0.9
255.08932	2.0
257.06689	0.6
257.07919	0.7
257.10489	9.8
259.12094	85.4
260.09183	3.9
260.12485	4.6
264.12640	1.9
267.08954	5.1
269.07324	0.7
269.10507	7.1
271.11893	4.0
273.09970	1.9
277.13129	1.0
279.08948	4.0
280.09650	4.5
281.10431	1.0
282.13651	2.9
285.09970	3.1
287.11578	5.2
297.09970	8.8
298.10788	6.7
299.11493	1.2
307.15613	3.6
312.08655	0.6
315.11057	1.0
316.11801	5.8
325.16803	1.8
331.15726	9.2
349.16745	58.3
350.17191	3.4
367.17825	100.0
368.18057	6.4
372.18460	0.7
385.18872	9.0
390.19308	6.9
659.38135	49.0
660.38568	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	660.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96022	0.3
53.03881	0.3
55.01815	0.4
55.05442	2.1
57.03360	1.6
57.06998	0.4
59.04920	0.6
61.02850	0.5
65.03763	0.3
67.05423	3.1
69.03340	1.9
69.06990	8.2
70.06495	0.5
71.04903	1.3
73.02816	0.3
76.86028	0.3
79.05412	3.5
81.03337	0.8
81.06971	10.9
83.04914	2.7
83.08538	1.4
85.02334	0.7
85.02824	14.1
85.06484	0.7
86.09621	0.7
87.45908	0.3
91.05397	6.8
93.06973	13.5
95.04897	1.4
95.08532	17.0
97.02822	2.2
97.06455	2.3
97.10088	0.5
99.08016	1.7
101.05958	0.6
105.06969	31.9
106.07259	0.5
107.04858	0.4
107.08535	25.4
108.08910	0.4
109.02838	0.5
109.06470	1.9
109.10104	16.0
109.10860	0.6
111.08044	2.3
117.06964	4.2
119.04821	0.3
119.08531	39.5
119.22280	0.4
120.08889	1.2
120.12701	0.3
121.06459	0.6
121.10101	12.8
123.08012	3.4
123.11639	2.9
125.09572	1.4
127.03877	1.9
129.07005	2.4
129.10191	0.4
131.08527	14.0
133.10098	8.1
135.08025	3.0
135.11668	3.5
137.06018	0.5
137.09604	3.5
138.62595	0.3
139.11163	0.5
141.06911	0.4
142.07745	0.5
143.08514	7.6
145.04918	2.1
145.10095	19.7
147.07986	1.6
147.11650	11.8
149.09599	2.5
149.13214	1.7
155.08513	3.5
157.06531	0.5
157.10088	10.6
159.07996	0.6
159.11656	15.5
161.09590	2.0
161.13202	5.4
163.05989	1.7
163.11143	0.8
163.14664	0.5
165.12680	0.8
168.43753	0.3
169.10091	3.9
170.10634	0.4
171.08032	3.3
171.11646	8.0
173.09558	1.4
173.13211	6.6
175.11151	4.2
175.14799	1.6
177.12653	0.7
179.10681	1.7
181.10091	1.9
182.10823	0.4
183.11630	4.6
183.44765	0.4
185.09615	1.6
185.11522	0.6
185.13184	8.3
186.13895	0.5
187.11172	1.6
187.14780	3.4
189.12729	3.7
193.12207	1.5
194.10741	0.4
194.66934	0.4
195.11678	3.3
197.13200	4.6
199.11208	1.4
199.14775	7.2
201.16347	37.9
202.16731	2.2
203.14191	2.4
205.12218	0.6
207.13701	0.7
209.13231	2.3
211.14778	4.6
213.12764	2.2
213.16335	5.4
215.14313	0.7
217.19423	1.7
222.13934	0.7
223.14796	5.8
224.15178	0.4
225.16347	3.8
227.14351	5.4
227.17793	2.8
229.15834	2.8
229.19380	0.5
237.16324	4.1
239.17918	2.2
241.15793	6.1
241.19437	5.9
243.17403	2.7
245.15317	1.6
255.17387	5.6
255.21019	10.2
256.21420	0.4
257.18903	1.8
259.16940	1.4
259.20459	0.5
265.19482	5.3
266.19830	0.6
273.18439	2.8
273.22037	1.5
283.20499	35.5
284.20895	2.5
291.23132	0.3
301.21561	100.0
302.21838	6.0
319.22549	2.2
325.11172	0.5
356.51804	0.4
598.00354	0.4
627.14233	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81880	0.4
55.01800	0.4
55.05447	3.1
56.90416	0.3
57.03362	1.9
57.07004	0.7
59.04905	0.4
60.24160	0.3
61.02855	2.2
67.05424	4.5
69.03348	4.0
69.06993	9.2
70.06497	1.7
71.04905	1.7
75.54215	0.4
77.03847	0.4
78.80599	0.3
79.05428	3.0
81.03333	1.9
81.06977	12.6
83.04894	3.2
83.08530	2.6
84.08046	0.4
85.02831	22.0
85.06454	1.7
86.09597	0.5
86.52209	0.4
91.03888	0.4
91.05403	7.1
93.06969	12.9
95.04912	0.8
95.07957	0.7
95.08536	18.4
97.02820	4.2
97.06460	3.4
97.10078	0.5
99.04381	0.5
99.08022	1.6
101.05924	0.7
105.06975	42.5
106.07294	0.6
107.08539	22.4
109.02828	0.9
109.06489	1.9
109.10101	14.5
109.27661	0.4
111.08006	3.0
115.05385	0.4
116.43430	0.4
117.06956	3.2
119.04921	0.5
119.08534	41.2
120.08866	0.8
121.06446	0.6
121.10104	15.8
123.08028	4.0
123.11663	2.6
125.09592	2.2
127.03894	2.1
128.06210	0.6
129.06947	3.1
131.08533	24.3
132.08842	0.5
133.06458	0.5
133.10091	11.8
135.08015	3.6
135.11682	3.4
137.09605	3.0
137.13208	0.4
139.11188	0.7
141.06898	0.6
141.09079	0.7
142.07753	0.8
143.08540	11.3
144.09286	0.6
145.04948	3.1
145.10098	31.4
147.08028	1.6
147.11671	12.1
149.09595	0.9
149.13245	2.7
151.11201	0.8
155.08501	6.8
157.10091	13.8
159.11659	37.2
160.12015	0.5
161.09584	1.6
161.13222	6.9
163.06059	0.6
163.11130	0.7
165.12738	0.7
167.06870	0.4
167.08531	0.4
169.10098	8.2
171.07983	2.3
171.11652	11.1
173.09622	0.7
173.13211	8.7
175.11137	3.0
175.14798	1.9
177.12677	0.7
179.10663	2.0
181.10095	2.3
183.11670	5.5
185.09662	0.6
185.13235	11.9
187.11172	2.4
187.14819	2.8
189.12743	4.0
193.12218	0.9
194.10886	0.8
195.11584	2.7
197.13226	8.6
199.11142	1.8
199.14781	10.4
201.16345	31.6
202.16760	0.7
203.14314	1.9
207.13828	0.6
208.12556	0.6
209.13202	3.5
210.13901	0.5
211.14818	4.5
213.12733	2.2
213.16336	4.5
215.14290	0.8
215.17899	0.8
217.19411	0.7
222.14046	0.4
223.14769	5.2
225.16293	2.1
227.14320	4.5
227.17828	3.2
229.15836	1.7
229.19501	1.8
232.05272	0.4
237.16266	2.7
239.17899	11.2
240.18463	0.6
241.15849	6.0
241.19405	5.7
245.15312	2.4
255.17355	6.1
255.21004	9.4
257.18942	10.7
259.16852	1.6
259.20596	0.7
265.19418	5.2
273.18600	3.0
273.22040	2.1
274.19037	0.4
283.20514	38.2
284.20825	2.4
301.21570	100.0
302.21964	5.8
319.22626	19.6
320.22968	1.7
325.11017	0.5
459.78076	0.4
543.45276	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00214	5.2
55.05443	32.7
56.89669	5.0
60.32687	5.8
67.05413	10.2
69.03355	11.6
69.06989	27.1
70.06506	87.4
72.08073	12.5
73.02815	7.5
81.03361	12.8
81.06960	11.7
83.04865	6.3
84.04416	14.3
84.08077	36.3
85.02827	61.4
86.09637	63.3
91.05408	14.8
93.06980	36.8
95.04947	8.3
95.08533	25.5
97.02812	15.7
97.06451	6.6
99.04392	10.7
103.03883	25.7
105.06961	43.4
107.08535	36.1
109.02835	11.1
109.10117	12.1
110.07073	8.5
119.08531	37.9
120.08045	14.2
121.10086	37.0
123.11670	9.9
127.03867	39.6
129.10214	12.6
131.08545	39.4
133.06462	7.6
133.10074	28.0
135.08023	8.3
137.05959	25.5
143.08559	26.0
145.04932	14.0
145.10127	24.5
147.11633	26.4
149.09595	12.3
157.10115	11.5
159.11674	14.6
161.13283	6.7
163.05998	25.7
163.11023	6.3
171.11690	11.7
175.14838	7.5
183.11787	10.3
185.13255	29.3
187.14777	7.7
199.14848	13.1
201.16319	9.5
212.72504	6.2
227.14290	8.2
241.15732	7.2
255.21063	9.6
265.19485	8.1
283.20490	31.3
301.21552	64.3
319.22607	100.0
435.50220	7.4
481.27780	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	660.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61915	1.7
53.81628	1.6
55.05460	2.7
56.24267	1.9
56.58419	1.5
56.96503	2.2
57.03374	4.5
58.91269	1.6
61.02846	8.3
67.05408	2.7
69.03343	14.1
69.06981	9.8
70.06500	9.9
71.04904	4.0
72.08063	3.6
73.02822	3.0
79.05398	3.2
79.85963	2.8
81.03349	3.3
81.06963	17.0
84.08067	4.2
85.02821	96.0
85.06474	2.7
86.09615	8.6
90.17805	2.4
91.03876	4.4
91.05394	9.9
93.06978	14.6
95.04868	1.9
95.08537	19.6
97.02818	24.5
99.04398	2.5
105.06968	36.8
107.08523	18.2
109.06432	2.5
109.10107	8.1
110.07113	2.7
117.06963	3.7
119.08534	45.0
120.08049	3.3
120.08818	2.3
121.10094	14.7
123.08016	2.6
123.11655	4.3
127.03844	22.9
129.07002	3.4
129.10178	2.5
131.08513	24.4
132.93887	2.1
133.10098	3.1
135.07974	2.8
136.07541	2.4
143.08527	8.8
145.04930	39.8
145.10101	20.6
147.11655	9.0
155.08589	2.2
157.10092	14.9
159.11670	13.8
161.13229	4.4
163.05960	19.6
169.10078	3.0
171.11646	11.0
173.13223	3.4
183.11649	3.9
185.13185	8.3
187.14740	2.3
187.29576	2.3
195.11655	5.0
197.13202	4.0
199.14740	4.9
201.16333	32.0
209.13214	2.1
211.14819	4.2
213.16351	8.1
223.14690	3.6
227.14232	2.9
227.17941	3.9
239.18071	5.0
241.15909	2.8
241.19507	2.3
255.17432	3.2
265.19348	10.0
283.20456	35.8
301.21545	100.0
302.22021	4.9
319.22668	15.9
325.11163	32.2
418.36456	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	660.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19051	1.8
55.05436	4.4
56.04961	2.4
57.03356	3.2
67.05415	4.9
69.03341	11.2
69.06993	17.3
70.06509	38.4
71.04925	2.9
72.08061	11.4
74.05944	2.0
79.05414	4.3
81.03331	4.0
81.06972	25.2
83.04893	5.0
83.06053	2.2
84.04422	4.9
84.08058	15.4
85.02821	41.4
86.09626	18.9
91.05402	15.0
92.10855	3.0
93.06977	22.0
95.08536	28.8
97.02795	14.2
97.71748	2.2
99.04394	3.3
99.08026	2.5
102.05474	2.6
103.03872	3.2
105.06977	60.8
105.66744	2.1
106.07351	2.9
107.08527	31.1
109.02835	2.8
109.06450	3.6
109.10088	21.0
110.07124	4.5
111.08009	2.6
117.06956	4.2
119.08537	66.2
119.98463	2.2
120.08055	8.6
121.06419	4.2
121.10104	16.6
123.11617	5.1
127.03861	5.2
129.10168	11.4
131.04846	2.6
131.08539	42.3
133.10071	14.6
135.08023	3.6
137.05980	3.0
143.08542	15.4
145.10089	53.1
147.07941	2.4
147.11644	15.0
149.13213	3.1
155.08524	9.1
157.10078	23.1
159.11659	58.2
161.13205	4.2
169.10092	16.2
171.11659	15.5
173.13226	13.1
175.11118	3.0
175.14682	3.1
181.04836	3.7
181.10048	2.7
183.11671	10.9
185.07132	2.5
185.13174	10.0
187.11171	4.8
189.12790	3.0
194.23318	2.2
197.13205	11.6
199.14812	14.2
201.16348	22.8
203.14151	3.1
211.14839	2.7
213.16238	4.3
215.14177	2.8
217.19351	2.3
223.14760	11.7
227.17900	3.6
237.16301	3.2
239.17946	28.5
241.15836	13.1
241.19429	8.4
255.17368	2.9
255.20984	11.4
257.18970	34.5
265.19418	5.1
283.20502	36.8
284.20743	2.9
301.21567	100.0
302.21994	4.2
319.22620	83.0
320.22910	5.6
324.11414	2.8
481.27063	3.4
520.70367	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	661.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00246	0.3
55.01809	1.0
65.03859	0.5
67.05415	1.2
68.99709	1.1
69.03340	1.4
83.04885	0.5
85.02831	1.3
86.09637	0.5
87.04375	0.5
87.24541	0.2
89.03790	0.2
92.10581	0.6
93.03343	0.6
95.04890	2.1
97.02818	1.0
97.98753	0.2
98.97540	0.2
103.05384	0.3
107.04925	1.0
111.04391	1.4
115.03883	0.5
116.41674	0.2
121.02828	1.1
123.04380	1.5
127.03896	0.5
130.06508	0.4
131.04926	0.9
132.08092	0.3
133.02811	2.8
133.04912	0.4
135.04362	3.1
139.03876	100.0
140.04211	1.4
145.02777	0.4
149.05943	1.0
151.03850	4.5
153.01802	0.4
153.05440	1.0
159.04395	2.9
159.09135	1.1
161.51797	0.2
163.03862	10.2
167.06998	0.3
169.04926	2.9
177.05435	3.0
181.04898	4.9
195.06467	3.3
205.05002	1.2
223.05945	1.8
237.02808	0.4
244.48579	0.2
247.06026	0.5
279.07571	0.6
289.06985	1.5
297.08234	0.3
307.08066	8.2
391.21204	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44135	0.2
55.05433	0.7
56.45371	0.2
59.17115	0.3
65.03851	1.5
67.05428	1.1
69.06976	2.0
79.05401	0.7
81.06957	1.8
81.86687	0.3
83.08519	0.6
91.05402	20.5
93.06990	3.5
95.08530	4.4
105.06970	2.1
107.08521	3.6
109.10094	3.3
113.26915	0.3
119.04889	46.6
119.08542	5.8
120.05235	0.4
121.10096	4.4
123.08060	0.4
123.11648	0.7
127.72169	0.3
131.08525	0.7
133.10072	5.0
135.11656	2.8
137.13162	0.4
145.10127	3.0
147.04381	100.0
147.11639	2.8
148.04762	2.1
149.13232	2.1
157.10059	0.6
159.11659	3.4
161.13217	2.1
163.11176	0.5
163.14821	0.7
173.13254	1.5
175.14792	2.3
177.16351	2.0
187.14729	4.2
189.16318	3.0
191.17799	0.4
191.61110	0.3
199.14876	0.3
201.16365	2.2
203.17892	3.1
205.15874	0.4
213.16425	0.7
215.17850	0.8
227.17841	0.5
229.19507	1.8
241.19629	0.4
253.19341	0.4
275.20074	0.6
317.02771	0.3
321.50671	0.3
373.40930	0.4
385.79327	0.3
391.33438	2.7
392.34088	0.3
409.34369	2.7
410.34509	0.5
437.34119	2.1
455.35114	0.6
469.36551	1.3
528.59137	0.4
595.61981	0.4
601.38904	1.3
643.57849	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63092	0.2
55.05443	0.5
60.82213	0.3
61.45310	0.3
65.03854	1.2
67.05415	1.7
69.06977	2.0
79.05396	1.3
81.06970	3.8
83.08517	1.3
91.05402	17.0
93.06969	4.8
95.08529	6.2
105.06970	3.3
107.08525	5.7
109.09464	0.4
109.10111	5.0
112.55454	0.4
115.59784	0.3
117.06915	0.4
119.04891	40.2
119.08534	6.3
120.05209	1.2
121.10071	6.4
123.11658	2.0
131.08502	1.7
133.10085	6.8
135.11656	4.0
137.13222	0.6
141.19977	0.3
143.08530	0.5
145.10081	3.9
147.04382	100.0
147.11678	3.3
148.04712	2.3
149.13246	2.2
157.10080	0.4
159.11679	3.4
161.13208	3.7
163.14793	1.9
171.11708	1.2
173.13228	2.4
175.14813	3.3
177.16345	2.3
185.13232	0.4
187.14796	4.2
189.16335	3.6
191.17949	1.1
199.14799	0.6
201.14670	0.3
201.16376	1.5
203.17918	4.0
207.95932	0.3
211.14774	0.5
213.16318	0.7
215.17918	2.0
217.19423	0.4
219.17763	0.3
227.17894	0.6
229.19475	3.8
231.21069	0.4
241.19531	0.5
253.19510	0.6
255.21053	0.5
267.20654	0.4
279.25598	0.3
281.22531	0.4
307.24271	0.5
391.33545	3.5
409.34625	4.9
410.34503	0.4
410.78415	0.3
437.34171	2.7
455.34888	1.9
469.36465	1.2
601.38654	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	661.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75229	1.3
55.05442	3.4
57.03369	1.9
57.07008	8.4
67.05422	3.2
70.95414	1.4
71.08552	2.9
79.05392	3.3
79.91543	1.7
81.06966	3.7
91.05394	2.6
93.06981	2.0
95.08551	3.6
105.07000	2.6
107.04918	1.6
107.08582	2.1
109.10138	1.9
110.34650	1.6
117.06979	1.7
119.08481	2.0
123.97363	1.5
124.51980	1.4
126.88206	1.5
133.10197	2.0
135.11658	1.5
198.52141	1.3
236.37698	1.6
275.20059	2.6
349.19547	11.9
354.41736	1.6
405.22415	2.6
426.30551	1.9
444.50232	1.7
661.46338	100.0
662.46741	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	662.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81392	2.5
55.05445	5.0
57.03356	3.3
59.48632	2.0
61.02837	3.7
67.05422	4.6
69.03330	10.6
69.06982	5.3
70.06511	19.8
72.08073	5.8
79.05390	5.4
81.03313	4.4
81.06959	9.5
84.04431	11.8
84.08055	13.1
85.02337	4.7
85.02821	69.1
86.09633	10.9
87.35865	2.6
91.05393	13.5
93.06956	12.7
95.08515	19.2
97.02811	12.0
105.06950	15.1
107.08528	15.0
109.02824	9.4
109.06396	2.6
109.10100	31.0
110.07059	4.2
117.06938	5.7
119.08495	18.9
120.08057	3.5
121.10086	14.8
123.11669	3.8
127.03875	10.4
127.11134	9.9
129.06996	2.6
131.08546	20.4
133.10086	14.6
135.11635	5.7
143.08531	10.8
145.04926	11.7
145.10072	17.0
147.11684	11.9
157.10056	12.3
159.11655	14.7
161.13203	4.0
163.05965	3.8
167.06953	3.5
171.11607	12.6
173.13185	14.5
175.14792	3.5
183.11632	11.5
185.13211	6.0
187.14699	4.5
189.12639	3.6
197.13168	5.4
201.16299	5.7
203.17889	4.8
211.14778	8.9
225.16350	4.8
227.17874	14.9
229.16010	4.0
239.17787	10.1
257.22650	10.6
267.21063	29.8
285.19135	4.9
285.22067	100.0
303.23105	82.3
304.23334	5.0
321.24203	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05433	3.5
56.04961	3.1
57.03357	3.1
65.18737	1.6
67.05413	4.0
69.03333	7.4
69.06976	9.5
70.06506	31.6
71.04933	1.5
72.08066	4.0
79.05398	8.3
81.03303	2.2
81.06971	33.2
83.08517	1.4
83.20453	1.5
84.04415	6.9
84.08060	19.2
85.02819	27.2
86.09624	14.1
91.05410	19.3
93.06983	26.3
95.08531	23.7
97.02813	9.3
98.16350	1.9
104.00195	1.5
105.06969	45.0
107.08531	19.4
109.10092	17.6
110.07107	3.9
111.08045	14.0
117.06966	10.0
119.08523	22.9
120.08062	12.4
121.10078	12.0
123.11662	3.0
127.03827	6.2
128.00795	1.6
129.06955	7.4
129.10191	6.1
131.08524	28.7
131.16127	1.5
133.10098	17.7
135.11653	7.1
136.07568	2.2
137.05907	3.5
141.07002	1.8
142.98904	1.8
143.08539	20.7
145.04926	2.9
145.10083	32.4
147.11662	47.8
149.13246	9.4
155.08524	8.4
157.10120	13.8
159.11662	15.9
161.13193	3.9
169.10042	11.7
171.11620	13.4
173.13167	16.4
175.14825	2.7
183.11623	10.3
185.13188	15.2
187.14761	10.2
190.51869	1.8
191.14265	3.7
197.13135	8.4
199.14735	13.0
201.16309	2.6
205.15761	2.3
211.14806	8.4
217.05174	1.7
225.16379	11.4
227.17885	63.2
228.18300	2.4
229.15735	2.7
239.17896	2.4
257.22623	3.1
267.21027	34.1
269.22495	3.2
285.22055	100.0
286.22308	6.5
303.23065	9.2
365.83932	2.0
447.27295	8.5
618.56744	2.0
662.24432	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03880	4.9
53.93440	2.8
55.01816	4.7
55.05447	34.1
57.03366	21.2
57.07007	5.9
59.54300	3.1
60.46792	3.7
67.05420	87.1
69.06980	36.4
79.05400	88.3
81.03323	5.1
81.06969	100.0
83.04903	8.9
83.08529	4.7
91.05402	63.4
92.64440	4.1
93.06982	72.4
95.04877	18.8
95.08533	58.6
97.06451	5.4
105.06981	47.0
107.04877	5.2
107.08530	37.6
109.06468	4.5
109.10107	28.1
117.06948	19.1
119.08533	42.6
121.10094	34.6
123.08010	4.4
129.07031	6.6
131.08528	22.4
133.10097	19.9
135.08018	6.1
135.11688	15.5
145.10101	19.1
147.11656	15.3
149.13249	7.3
159.11668	5.2
228.46361	3.9
275.19952	8.3
277.21429	7.0
308.40506	4.5
335.25641	35.8
342.37073	3.6
349.23529	15.1
351.25217	5.1
364.91815	4.2
433.50195	3.7
529.38611	30.6
569.41229	5.0
570.76428	4.1
573.67749	5.0
627.45813	16.5
662.48383	34.7
663.48022	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82004	5.5
55.05442	48.2
57.03363	27.2
62.33659	4.5
65.03852	5.9
67.05131	5.6
67.05430	96.9
69.06973	28.9
79.05402	88.8
81.06969	100.0
82.94723	5.3
83.04906	5.2
83.08505	10.3
84.29479	4.9
91.05384	74.3
93.06972	82.9
95.04868	22.4
95.08528	60.6
95.10136	5.0
99.58360	6.0
105.06972	57.4
107.08526	41.6
109.06418	10.6
109.10091	26.8
117.06943	23.5
119.08527	41.1
121.10061	22.4
123.11709	6.0
125.09539	8.3
128.06253	6.5
131.08516	30.5
133.10092	22.5
135.11636	10.7
137.09583	5.6
138.84122	5.5
145.10106	26.4
147.11667	12.7
159.11633	9.8
182.49406	5.3
185.13109	8.6
220.01689	5.2
247.53851	5.6
257.18842	10.7
275.20056	24.2
335.25827	49.5
349.23660	13.5
375.61078	6.1
394.70602	5.8
464.12332	6.8
489.35831	8.1
609.44928	21.9
662.44763	9.8
663.46924	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	663.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75415	0.4
56.96499	23.8
56.96770	0.8
57.92984	0.4
64.34016	0.6
67.24630	0.4
71.95148	2.1
72.95923	1.1
79.31273	0.4
92.10793	0.6
92.98547	0.6
110.97475	1.1
128.98526	2.8
146.99599	3.6
155.03737	0.8
165.00620	0.7
173.04726	0.5
185.04793	1.0
199.06366	2.3
203.05850	2.6
203.45805	0.5
204.06686	1.9
205.07329	0.7
213.07922	2.8
217.07462	6.6
218.04556	1.8
222.07671	2.5
223.09973	3.6
225.07878	0.8
227.09476	0.6
231.07021	0.6
231.09029	6.9
237.07733	0.5
239.09444	4.4
241.11053	44.1
242.11458	0.8
243.08934	1.9
245.10455	0.6
251.09477	1.1
253.11070	1.9
255.08926	0.9
257.10547	5.5
259.12106	99.8
260.12347	3.6
264.12631	1.9
267.08902	0.9
269.10538	7.3
271.11987	3.5
277.13220	1.0
281.10608	0.6
282.13724	2.5
285.09976	1.6
287.11575	4.7
295.11783	0.5
309.17596	3.3
309.20749	0.5
321.17310	0.9
327.18259	0.6
333.17188	4.3
343.95801	0.5
351.18314	36.1
352.18732	1.9
369.19388	100.0
370.19708	4.8
374.19977	1.1
383.20660	0.6
387.20450	10.7
392.21002	7.0
393.21176	0.8
663.41290	50.1
664.41998	4.7
680.62122	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00239	1.2
54.15915	1.0
55.88412	1.0
57.07010	63.8
71.79115	1.0
85.85477	1.0
91.05396	9.2
100.44283	1.0
105.06998	1.9
147.11638	6.4
153.06915	2.3
157.17810	1.1
167.91795	1.1
229.10161	1.3
230.94022	1.1
233.03516	6.9
251.04579	18.3
327.07712	100.0
328.08170	2.6
383.13934	59.6
384.14160	1.8
439.20224	68.2
440.20535	2.4
495.26495	49.0
496.26776	2.3
551.32733	51.4
552.32544	5.3
607.38995	47.0
608.39105	4.5
613.70764	1.3
663.45355	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	664.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	1.5
54.81824	0.9
55.05445	11.3
55.75770	0.7
56.04956	1.1
57.03356	4.3
57.07002	1.8
60.04464	0.8
61.02842	3.7
67.05424	19.3
67.57005	0.8
69.03339	9.3
69.06983	13.1
70.06506	8.9
71.04883	1.0
72.08064	6.0
73.02821	1.2
74.05994	0.9
79.05397	18.6
81.03329	3.7
81.06969	67.7
81.07451	2.2
82.07280	1.1
83.08531	4.6
84.04425	6.0
84.08068	7.6
85.02821	44.6
85.06447	1.0
86.09623	7.9
87.04371	1.5
91.05396	19.6
93.06966	44.8
95.04888	1.4
95.08526	63.3
96.08867	1.7
97.02812	8.0
97.06403	1.7
97.10056	1.5
99.04346	2.2
102.05450	1.2
103.05428	1.3
105.06964	49.1
106.07250	1.0
107.08533	41.9
109.02834	3.8
109.06474	1.6
109.09391	1.9
109.10097	34.9
111.08008	13.9
117.06962	9.0
119.08525	43.9
120.08055	14.2
121.10097	26.7
121.10922	1.6
123.08037	1.0
123.11660	11.7
125.09607	1.8
127.03857	10.1
129.06973	5.8
129.10194	3.8
131.08527	20.2
133.10089	44.7
135.11650	23.3
137.13226	1.2
139.11209	1.2
142.07674	0.9
143.08511	11.3
145.04919	11.0
145.10091	33.4
147.11652	47.4
149.13234	14.2
157.10117	12.6
159.11664	35.2
159.12993	1.4
161.13199	21.8
163.05960	4.1
163.07298	1.1
163.14824	5.4
165.12639	1.0
166.08578	1.0
168.30765	1.0
171.11630	15.2
172.12421	1.5
173.13217	34.9
175.14769	29.7
177.16386	1.4
179.14185	1.3
183.11647	1.5
185.13206	11.8
186.13911	1.7
187.14775	21.0
188.15144	1.0
189.16328	9.1
199.14769	14.1
200.15289	1.0
201.16348	8.7
205.15869	7.0
213.16342	12.7
215.17937	1.8
217.15741	1.4
225.16240	1.1
227.17986	9.4
229.19452	100.0
230.19795	6.4
231.17317	1.0
231.21059	1.1
241.19466	5.0
259.24136	2.0
269.22571	47.7
270.22821	2.1
271.24203	5.5
287.23608	98.3
288.23901	5.4
305.24725	1.8
325.11295	3.8
431.27737	1.0
449.28760	1.0
467.31491	1.2
608.33301	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80622	1.9
53.03878	2.8
54.81604	2.3
55.01810	8.5
55.05449	39.8
57.03369	26.6
57.07013	5.2
63.67371	2.3
64.33378	2.6
65.03851	3.8
67.05070	4.0
67.05427	100.0
69.06985	35.6
71.04919	2.6
71.08539	3.2
73.32330	2.0
79.05400	59.7
81.06970	96.9
82.07291	3.0
83.04885	4.4
83.08540	17.2
91.05405	49.9
93.06966	57.7
95.04888	9.2
95.08537	66.3
95.09149	3.0
97.06446	4.6
97.10090	8.4
105.06962	43.1
107.08527	33.3
109.06462	8.0
109.10099	27.1
111.08014	2.7
117.06915	16.5
119.08528	29.3
121.10079	22.0
123.08026	4.5
123.11677	4.4
125.09639	4.4
129.07001	8.8
131.08527	21.8
133.10106	16.1
135.11688	10.2
137.09587	2.7
143.08539	3.9
145.10091	15.9
147.11646	17.3
149.09583	7.5
149.13237	3.8
157.10074	3.2
159.11674	14.5
161.13123	3.9
163.11168	2.6
165.12692	2.7
171.11612	4.0
173.13234	4.5
185.13202	4.6
199.35988	2.5
227.12820	4.1
255.77914	2.2
257.18918	3.7
275.19940	17.4
277.21579	3.2
335.25668	10.3
337.27240	39.5
338.27646	2.4
346.78726	2.6
349.23557	17.9
468.61011	2.2
554.19104	2.9
611.46381	18.2
612.46930	2.5
629.47235	13.2
663.47186	3.3
664.48340	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	664.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00237	2.1
53.03868	3.3
55.01802	3.9
55.05450	40.5
56.18937	1.9
57.03365	17.9
57.06992	3.1
65.03825	1.9
65.73328	2.1
67.05425	95.5
69.03350	2.7
69.06985	33.0
74.45766	1.9
79.05401	53.3
81.06503	4.1
81.06970	100.0
83.04909	3.0
83.08517	12.1
83.66781	2.0
91.04897	3.2
91.05410	57.4
92.10332	4.8
93.06957	54.4
95.04881	13.5
95.08527	59.2
97.06451	12.5
97.10096	10.1
97.54800	2.5
105.06969	41.3
107.04843	2.9
107.08545	27.6
109.06435	4.3
109.10096	18.6
111.04303	2.0
111.08066	3.8
117.06972	15.4
119.08527	17.5
121.10114	16.2
121.93696	2.6
123.07966	3.2
123.11620	3.1
129.06946	2.6
131.08498	18.4
133.10109	15.9
135.11633	9.8
143.08597	3.1
145.10069	9.9
145.96024	2.3
147.11659	8.4
149.09630	2.9
149.13136	2.7
153.88730	2.2
155.57033	2.5
157.10132	2.9
159.11658	9.8
161.13162	2.5
198.49818	2.7
218.81174	2.2
230.40230	2.2
238.09853	2.2
269.17441	4.9
275.20059	9.9
334.96799	2.6
337.27252	48.0
349.23581	11.8
531.40466	30.7
545.43036	2.9
571.43182	12.8
611.46289	4.5
664.47003	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	665.3138
Annotation	Steviobioside
Peak:m/z	Relative Intensity
55.01794	0.5
55.05440	2.0
56.04975	0.6
57.07006	0.5
61.02816	0.5
63.08656	0.5
67.05412	1.8
69.03345	2.2
69.06987	2.9
70.06508	3.7
71.04886	0.5
72.08061	2.0
79.05408	0.7
81.06960	4.9
83.08535	0.8
84.04443	2.1
84.08069	3.0
85.02829	6.6
86.09635	3.0
91.05414	2.5
92.10281	0.5
93.06954	4.0
95.08529	5.6
97.02833	2.2
103.42223	0.4
104.65829	0.4
105.06969	6.2
107.08534	8.0
109.10097	3.0
110.07088	0.4
116.52735	0.4
117.06989	0.6
119.08553	5.6
120.08055	3.8
121.10088	5.5
123.11700	1.0
127.03867	1.1
129.10234	2.3
131.08559	4.2
133.10100	5.9
135.11652	3.9
137.13239	0.6
143.08575	0.7
145.10080	5.1
147.11646	4.4
149.05981	0.5
149.13258	2.4
157.10074	1.7
159.11665	7.9
161.02887	0.5
161.13199	3.8
163.14810	0.8
169.10083	0.4
171.11639	2.0
172.73396	0.6
172.87149	0.6
173.13184	5.7
175.14755	3.7
177.16330	3.3
185.13316	1.1
187.14775	10.3
189.16316	4.7
191.14288	0.6
191.17909	0.4
193.12198	0.4
197.13260	0.6
199.14825	2.0
201.16406	2.6
203.17964	1.1
205.15800	5.7
215.18042	1.0
219.13933	0.5
229.19484	0.6
233.15353	2.2
243.13829	0.7
279.16144	1.1
393.31488	4.4
395.33334	0.5
421.30923	1.1
439.32184	4.9
467.31616	4.1
485.25095	2.6
485.32166	0.9
503.26340	0.6
529.76691	0.4
665.31287	100.0
666.31592	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	665.3139
Annotation	Steviobioside
Peak:m/z	Relative Intensity
55.05456	0.5
56.04967	0.9
64.32790	0.4
67.05428	0.7
69.03335	0.7
69.06977	1.2
70.06513	7.5
72.08070	1.8
72.53304	0.4
73.02827	0.4
79.05394	0.6
81.06986	1.0
84.04421	2.0
84.08068	4.4
85.02824	2.3
86.09616	4.8
89.95213	0.5
90.42085	0.4
91.05408	0.8
93.06992	0.6
95.08546	1.1
97.02803	0.8
102.05453	0.5
104.83410	0.5
105.06992	2.0
107.08562	2.0
109.10175	0.5
110.07103	2.0
114.30247	0.5
119.04916	0.5
119.08545	1.8
120.08076	2.3
121.10098	0.8
129.10210	2.1
133.30751	0.5
135.08055	0.6
135.11603	0.6
137.06027	0.8
143.08565	0.6
159.11650	0.7
173.13144	0.5
176.23015	0.5
185.04112	0.6
203.05298	3.1
287.23441	0.6
349.10394	0.7
377.04858	0.5
386.18259	0.5
403.44922	0.5
407.15439	0.6
485.24973	22.0
486.25397	2.5
503.26297	0.7
540.04169	0.5
624.57739	0.6
625.01074	0.6
665.31323	100.0
666.31659	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	665.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05439	13.5
57.03353	3.8
57.06996	8.2
61.02829	3.1
61.73641	1.9
61.90489	1.6
65.76685	1.8
67.05412	10.5
69.03344	13.4
69.06987	20.6
70.06500	9.9
71.08546	2.0
72.08049	2.4
79.05393	11.8
81.03336	3.8
81.06965	39.5
83.04883	2.2
83.08526	13.9
84.08038	3.4
85.02345	2.6
85.02822	53.7
86.09616	4.1
91.05405	13.9
93.06967	32.4
95.04860	2.3
95.08527	55.9
97.02818	12.9
97.45404	1.8
105.06967	62.0
107.08536	57.2
109.02829	2.6
109.06464	2.1
109.10104	34.2
111.08004	2.8
114.37707	1.7
114.65031	2.0
117.06956	2.3
119.08524	58.8
121.10092	57.3
123.11649	13.5
127.03864	3.9
129.07005	2.6
131.08527	45.8
133.10088	67.1
135.11652	31.4
137.05934	3.1
137.13197	3.3
143.08530	15.8
145.10088	54.9
147.11667	50.8
149.05908	2.3
149.13228	11.4
157.10063	12.0
158.10840	7.9
159.11646	57.0
161.13210	31.6
163.11096	11.0
163.14740	9.9
167.06938	2.3
169.10022	3.1
171.11667	16.3
173.13213	68.0
175.11189	1.9
175.14761	45.0
177.16347	32.4
183.11722	2.3
185.13211	33.4
187.14771	100.0
188.15105	7.5
189.12704	2.2
189.16348	68.5
190.16679	3.2
191.17950	7.5
193.08549	2.1
193.12206	8.6
197.13225	8.3
199.14746	20.0
201.16342	19.6
203.14175	3.1
203.17920	17.9
205.12146	4.0
205.15837	78.0
207.17418	19.7
213.16333	7.4
215.14250	3.1
215.17903	4.2
217.19347	2.4
219.13734	23.6
219.17401	2.4
221.15286	7.7
225.16396	3.5
227.17818	2.2
231.13742	10.1
231.17314	2.4
233.15311	53.1
234.15639	2.9
237.16339	2.2
245.15337	16.0
277.14240	2.3
281.87537	2.0
336.61652	2.4
375.30536	3.7
393.31476	67.4
394.31900	2.1
411.32458	9.4
416.68900	2.2
421.30780	24.3
439.31900	57.3
440.31952	6.7
441.29630	3.7
457.32932	2.4
467.31439	53.3
468.31766	3.5
475.49661	2.3
485.32712	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	666.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04972	0.6
68.04951	0.4
70.06509	100.0
71.06872	0.6
82.59561	0.4
84.04427	13.9
84.04933	0.6
84.08076	0.5
86.09625	17.3
86.23493	0.4
91.05397	4.6
93.82167	0.4
97.07598	2.2
98.05975	6.0
102.05484	2.5
103.05417	1.8
105.03359	0.8
111.04308	0.4
114.38375	0.4
115.08654	2.4
118.06481	13.6
118.07283	0.5
119.04914	0.7
119.07298	2.5
120.08048	4.5
125.07122	2.3
126.05498	0.7
130.06491	0.8
136.07558	5.3
137.07072	3.3
144.08029	0.4
146.05992	22.4
153.08948	3.5
160.55051	0.4
162.05502	0.6
164.07037	0.7
165.05447	3.0
165.13832	0.6
170.09648	1.5
172.11169	23.3
173.11514	0.4
174.05510	0.7
182.08121	2.4
183.14880	5.2
184.07472	0.4
186.09067	0.5
187.12341	2.3
194.14153	1.6
195.08160	0.5
199.12315	0.7
202.08624	0.6
204.10141	0.4
209.15266	0.5
211.14345	3.5
215.11623	0.7
216.12556	5.0
217.13367	2.1
219.08115	0.6
223.07455	3.1
225.10350	0.6
236.10658	6.1
243.11253	1.7
246.09155	0.4
247.10776	3.8
265.08496	2.7
270.11154	0.9
273.08615	3.6
275.10223	5.1
282.11288	2.9
293.11264	2.5
302.11853	0.7
312.20749	2.4
347.13928	0.9
356.19659	5.8
381.14328	1.7
393.14352	1.5
420.15549	0.4
456.17618	3.5
484.16821	0.5
535.21478	0.5
553.22894	8.3
554.23474	0.8
648.30267	10.1
649.30609	0.8
666.31189	31.1
667.31519	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05448	27.8
57.07013	57.0
67.05433	62.8
69.06992	21.5
76.17216	10.4
79.05403	49.9
81.06983	55.7
91.05415	26.3
93.06980	47.9
95.04899	14.9
95.08530	43.3
97.10101	16.4
107.08541	17.1
109.10063	15.9
133.10100	18.5
147.11673	22.9
175.01558	11.8
187.87651	12.6
223.05107	27.7
565.24237	14.1
621.30933	100.0
665.49432	52.2
666.49689	68.8
667.45032	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	666.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03229	5.5
53.08295	5.0
55.05434	11.8
61.02892	7.0
63.90232	5.5
67.05418	8.0
69.06981	25.9
70.06502	32.5
72.08066	10.3
79.05391	8.1
81.03356	6.1
81.06976	32.3
83.08555	12.8
84.04424	10.0
84.08068	27.2
85.02817	31.2
86.09628	33.8
91.05392	10.9
93.06991	30.9
95.08524	49.4
105.06980	35.9
106.08614	6.0
107.08543	41.1
109.10106	40.1
111.95248	6.4
119.08553	56.6
120.08070	12.2
121.10081	47.4
123.08028	7.3
123.11658	7.0
129.06868	7.9
129.10233	7.5
131.08557	26.8
133.10033	47.6
135.11658	8.6
137.05940	39.2
141.37703	6.0
141.76990	6.0
143.08490	10.6
145.10078	58.8
147.11681	23.7
149.13164	6.5
157.10123	24.7
159.11687	29.3
161.13242	30.0
163.14784	8.5
163.51770	6.5
165.09094	12.3
169.81857	6.2
171.11607	13.9
173.13235	36.6
175.14787	34.5
185.13242	41.7
187.14778	40.4
189.16342	15.0
193.08560	28.7
199.14722	25.6
201.16350	27.7
205.15848	27.2
213.16342	13.4
219.17358	12.7
228.79144	6.6
231.17346	10.5
279.84518	5.8
369.73285	7.7
405.31183	11.7
423.32571	9.2
451.31909	39.9
469.32919	38.5
487.33966	100.0
488.34204	11.3
505.44980	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	666.5299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00226	1.5
53.03880	2.2
55.01795	5.5
55.05447	31.5
57.03371	15.0
57.06996	5.1
60.51522	0.8
65.03851	2.2
67.05424	100.0
67.20164	0.9
68.29628	0.9
69.06984	27.3
71.04897	5.5
71.08526	3.8
74.07169	0.9
79.04964	1.7
79.05404	40.2
81.03327	4.4
81.06971	88.0
82.07302	1.6
82.88874	0.8
83.04891	7.8
83.08527	16.9
85.06448	3.9
86.57809	1.0
91.05403	29.2
91.23544	0.9
93.06967	45.8
95.04887	13.9
95.08527	56.7
97.06446	8.7
97.10081	3.6
99.07995	4.6
105.06973	18.4
107.08537	21.6
109.06436	1.7
109.10091	25.6
109.10783	1.8
111.08049	2.1
117.06966	6.8
119.08529	13.1
121.06375	1.2
121.10114	12.9
121.10958	1.6
123.08028	1.3
123.11623	5.7
129.06940	1.2
131.08508	8.2
133.10085	10.6
135.07942	0.9
135.11594	7.1
135.16513	1.0
137.09586	1.2
137.13197	1.4
139.11119	1.4
145.10159	1.0
147.11655	5.3
149.13284	6.5
151.11134	4.2
157.10030	1.0
159.11685	4.0
161.13205	5.2
163.11148	1.7
173.11714	1.9
175.14743	1.4
175.93019	1.0
177.12677	1.5
195.13737	1.6
227.12860	1.7
229.14360	7.8
259.20490	1.4
269.17465	8.0
277.21600	4.1
295.22345	1.0
337.27264	30.1
338.27441	1.6
339.28513	1.1
351.25107	6.0
491.37277	15.5
492.37943	1.1
509.23196	0.9
531.40326	62.1
532.40582	7.6
546.66260	0.9
613.48322	9.2
624.83148	1.1
631.48956	1.5
667.44940	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	667.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82152	0.1
55.05444	0.1
56.04966	0.5
60.04450	0.4
69.06988	0.2
70.06509	2.9
72.08079	1.4
74.01966	0.2
74.02348	3.0
74.05979	0.4
76.02140	0.2
84.04438	1.0
84.08053	1.9
85.02836	0.4
86.09624	2.5
87.05534	0.1
91.05414	0.2
92.10841	0.1
95.57555	0.1
99.54099	0.1
101.06999	0.1
102.05470	0.4
103.05385	0.1
104.05257	0.1
105.06921	0.1
106.40185	0.1
110.07097	0.7
112.08713	0.1
114.37203	0.1
115.05408	1.9
116.07076	0.1
120.08076	0.8
127.03965	0.1
129.10202	1.2
130.06485	1.6
131.04926	0.2
133.05951	0.1
136.07558	0.2
137.05963	1.3
140.04831	0.1
141.46837	0.1
142.06496	10.4
143.06805	0.5
144.08057	1.2
162.02176	0.1
163.07594	0.2
166.08603	0.1
167.06985	0.1
169.05223	0.1
169.07555	0.8
170.05969	100.0
171.06317	3.5
171.07761	0.2
174.09074	0.2
179.04802	0.1
188.07007	0.9
202.08591	45.4
203.08923	1.7
215.08127	0.2
219.10080	0.1
229.09700	0.2
261.08713	0.2
265.29346	0.1
275.10184	12.4
276.10614	0.2
279.16940	0.2
404.04022	0.1
667.25214	0.2
667.81030	0.4
698.33759	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	667.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03871	1.2
55.01802	1.1
55.05444	15.3
57.03373	2.4
57.07010	4.9
61.73643	1.1
62.26937	1.0
65.03857	2.0
67.05420	20.8
69.03339	6.6
69.06637	1.6
69.06978	16.4
70.06506	8.8
71.04895	1.7
71.94878	1.2
72.08068	1.5
79.05409	21.9
81.03342	1.4
81.06967	56.9
83.04880	8.7
83.08516	12.2
84.08064	4.8
85.02825	20.1
86.09603	6.2
90.90889	1.1
91.05397	29.9
91.05929	1.8
93.06361	2.1
93.06961	60.8
95.04878	6.7
95.08527	77.4
97.02811	2.1
97.06495	1.9
97.10096	5.1
99.08035	1.8
105.06969	87.0
107.04885	1.7
107.08530	100.0
108.08891	1.2
109.06453	7.9
109.10094	43.1
111.08030	12.7
117.06944	15.2
119.08527	85.4
120.08100	1.7
120.08890	1.5
121.10088	60.9
122.10410	1.2
123.07983	4.2
123.11646	15.6
125.09572	29.5
126.01432	1.2
127.03813	1.2
128.06187	2.2
129.06952	7.5
129.10191	1.9
130.07762	1.8
131.08533	53.0
133.10085	72.4
135.08025	2.8
135.11641	22.7
137.09619	2.4
137.13200	1.4
141.06926	1.8
142.07755	5.9
143.08533	30.3
144.09355	5.5
145.06367	2.0
145.10091	93.6
146.10646	1.6
147.11661	40.3
149.05946	1.3
149.09540	2.1
149.13235	12.3
151.11142	8.1
155.08525	7.4
156.09302	5.9
157.10100	39.3
158.10803	5.3
159.11646	81.7
160.12177	1.3
161.09427	1.3
161.13217	37.8
163.07564	1.6
163.11191	2.9
163.14790	13.6
165.09087	2.4
166.89066	1.2
169.10075	13.9
169.89545	1.2
170.10863	6.4
171.11649	40.6
172.12360	2.9
173.09641	1.4
173.13213	40.8
173.14656	2.3
174.13644	1.7
175.14758	42.6
177.16325	13.0
179.14284	5.3
181.10150	1.9
183.11629	17.0
184.12434	6.3
185.13206	47.9
187.14777	67.4
188.48010	1.2
189.12752	1.5
189.16338	32.6
191.14291	11.8
191.17940	6.9
193.15816	7.5
195.11665	2.4
197.13226	16.4
198.14079	1.7
199.14778	64.8
200.15210	1.8
201.16335	53.0
201.18178	2.4
202.16670	1.7
203.14258	14.0
203.17946	5.8
205.15842	36.6
207.17393	1.7
209.13208	2.2
211.14754	16.6
213.16367	34.5
215.14299	4.7
215.17876	10.9
217.15848	23.4
219.13797	5.9
219.17409	17.5
221.15276	1.6
221.18803	1.5
223.14778	4.0
225.16241	8.5
227.17911	7.6
229.15918	4.1
231.13885	2.7
231.17354	29.5
233.15314	8.7
233.18878	2.7
237.16273	2.1
239.17879	5.9
241.19389	4.8
243.17412	2.2
245.15341	5.6
245.19003	6.1
247.16779	1.8
251.17789	1.6
253.19460	2.9
255.21187	2.1
257.15338	2.0
257.18924	2.1
259.16849	1.8
259.20529	2.3
265.19482	2.2
267.21014	5.8
271.20453	2.3
281.22504	1.7
283.20557	2.3
285.22125	1.4
299.23535	1.6
309.21979	1.7
313.40771	1.2
319.24655	1.2
349.25183	1.8
351.07346	1.2
357.24051	7.1
359.25876	2.0
375.30380	2.3
377.32007	1.4
387.30353	7.4
393.31354	9.3
405.31439	45.4
406.31738	2.0
407.32925	7.2
421.30783	9.5
423.32446	46.9
423.38196	1.6
424.32568	2.5
425.33899	2.0
433.30881	19.3
439.31885	14.0
451.25540	2.0
451.31952	60.9
452.32397	2.1
469.32999	70.2
470.33273	2.0
487.34128	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56617	1.5
53.03867	1.9
55.01815	2.8
55.05456	15.7
56.04971	3.8
57.03364	8.2
57.06997	7.5
61.02847	8.1
67.05427	17.3
69.03342	18.7
69.06985	26.0
70.05392	1.8
70.06138	2.9
70.06506	69.7
71.04897	2.2
71.08549	2.8
72.08065	28.1
73.02842	2.1
79.05415	17.8
81.03323	7.7
81.06970	50.7
83.08530	16.6
84.04417	17.4
84.08057	24.0
85.02341	3.8
85.02823	72.2
86.09620	44.3
91.05391	34.3
93.06965	50.1
95.04889	3.6
95.08524	70.4
96.08883	1.9
97.02816	15.4
97.06416	3.0
97.10083	4.3
98.05976	3.9
102.05473	3.7
105.06964	80.6
107.08530	81.3
109.02811	3.6
109.06454	4.7
109.10104	42.4
109.57428	1.8
110.07088	4.5
111.08010	7.9
117.06981	12.4
119.04942	3.1
119.08529	100.0
120.08069	7.4
121.09206	3.3
121.10089	81.5
123.07975	2.3
123.11682	22.8
124.35235	2.1
127.03834	3.1
127.08613	1.8
129.06934	11.2
129.10194	9.4
130.07742	2.4
131.08517	50.2
133.10086	64.7
135.07997	4.4
135.11642	48.8
136.07568	3.2
137.05876	2.1
137.13165	3.3
141.06888	2.2
141.10210	9.0
142.07750	9.0
143.08536	44.1
144.09172	2.6
145.04962	3.6
145.10088	93.2
147.11655	48.5
149.09589	4.8
149.13235	19.0
155.08516	9.4
156.09286	8.3
157.10078	51.9
158.10873	4.7
159.11653	75.2
159.12979	3.2
160.11916	2.3
161.09506	2.5
161.13225	31.2
163.07486	2.9
163.11119	13.3
163.14795	17.6
165.09047	9.4
165.12723	3.8
169.09929	19.8
170.10851	11.6
171.11630	26.3
173.13228	42.5
174.13577	2.5
175.11205	3.2
175.14760	44.0
177.12715	8.0
177.16310	42.2
179.14291	2.6
183.11655	16.7
184.12415	4.6
185.13216	52.8
187.14757	61.4
189.12711	11.3
189.16342	41.6
191.17932	12.8
193.16017	2.2
195.11452	4.6
197.13115	16.3
199.10893	2.4
199.14766	66.7
201.12495	6.9
201.16335	51.5
203.14221	9.0
203.17960	19.9
205.15842	84.0
207.17361	8.6
209.13199	4.5
211.14722	8.0
213.16295	13.6
215.14294	4.0
215.17850	8.9
217.15839	22.0
219.17398	10.1
223.14755	2.1
223.16779	3.4
225.16325	2.7
227.10216	4.1
227.17899	9.1
229.15782	11.0
231.17468	3.4
245.15401	4.4
283.20609	2.4
337.28738	2.1
353.21692	2.6
375.30563	3.5
377.32013	4.3
387.29745	2.4
389.31870	2.1
393.31311	9.3
395.32971	3.0
405.31396	49.6
407.32928	8.7
423.32416	86.2
424.32892	2.1
425.33875	4.3
433.30838	8.4
439.31931	9.4
441.33569	52.8
442.33862	2.9
451.31973	70.3
452.32172	3.3
469.33051	41.8
603.38513	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	667.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95417	2.2
55.05444	17.3
56.04971	6.2
56.38003	2.3
57.03388	3.1
60.04445	3.2
64.95812	2.5
65.03862	3.0
67.05431	20.7
69.03339	9.9
69.06990	22.8
70.06506	73.8
71.47605	2.4
72.08078	19.4
74.05978	4.2
79.05400	15.2
81.06974	38.4
83.04919	2.9
83.08552	11.6
84.04450	21.4
84.08065	41.0
85.02824	28.1
86.09628	42.4
91.05398	29.5
93.06974	39.9
95.04862	3.3
95.08532	59.5
95.42850	2.6
97.02808	3.6
97.10062	3.1
100.11172	4.5
102.05444	5.1
105.06988	49.0
106.08771	2.9
107.07862	5.0
107.08537	76.5
109.06416	4.2
109.10128	33.9
110.07147	19.2
111.08026	6.1
114.24204	2.9
117.06950	11.2
119.08533	100.0
120.08055	30.2
121.06470	3.2
121.10101	43.8
123.08019	5.3
123.11633	12.9
125.09601	25.9
127.03832	2.8
129.06999	3.5
129.10197	17.1
131.08540	33.0
133.10097	46.3
135.07999	3.4
135.11639	20.5
136.07513	3.5
137.05925	12.1
137.09573	4.7
143.08524	19.2
145.10101	68.9
147.11664	24.2
149.09508	3.2
149.13228	4.8
151.11082	3.0
155.08386	4.1
156.09229	3.0
157.04446	2.9
157.10114	21.4
158.10945	3.1
159.11674	57.6
160.12161	2.9
161.13239	21.9
163.07515	3.7
163.14723	5.2
167.06952	2.9
169.10092	12.5
171.11584	26.9
173.13206	38.2
175.14812	24.1
177.16290	10.8
183.11615	14.1
184.12489	4.9
185.13214	23.9
187.14763	48.9
189.09016	2.8
189.16338	31.8
191.17824	5.0
197.13251	6.4
199.14780	35.4
201.13004	3.1
201.16316	37.9
203.17863	4.6
205.15932	9.9
207.17532	2.9
211.14810	11.6
213.16365	39.2
215.14163	3.6
215.17778	6.1
217.15823	11.5
219.17398	10.4
221.13150	2.7
231.17476	5.7
243.21068	3.0
253.19417	4.7
257.15253	6.2
259.16824	5.4
279.20737	2.8
387.30261	4.5
389.32309	3.4
405.31522	31.8
407.33163	18.5
423.32526	20.6
432.75882	3.8
433.30807	16.2
439.31888	5.6
451.32040	47.7
469.32886	47.2
470.33508	4.4
491.82751	2.8
562.71082	3.7
593.03308	3.0
619.36694	2.8
667.32178	14.3
668.33075	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	667.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05439	1.7
56.93410	1.2
67.05418	3.0
68.12361	1.2
79.05400	2.3
81.06976	5.0
82.72214	1.2
92.89267	1.4
93.06967	2.4
95.08514	2.3
96.57614	1.5
104.96028	1.3
112.38575	1.3
117.96635	1.3
122.05428	1.3
160.61700	1.4
167.62640	1.7
186.19275	1.5
199.23163	1.4
220.21524	1.3
331.18637	1.7
333.20499	2.7
389.22968	1.7
453.12888	1.7
619.17731	1.6
667.45270	100.0
668.46112	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	667.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	0.9
57.03379	1.0
57.07014	0.7
66.95290	0.6
67.05426	6.0
69.06953	0.8
79.05397	1.7
81.06978	4.7
91.05403	1.4
92.10315	1.5
93.06982	4.2
94.67960	0.7
95.08543	3.3
96.41962	0.7
105.06955	1.1
107.08541	1.1
112.79250	0.6
150.23300	0.7
166.26949	0.7
179.35651	0.9
241.87390	0.9
333.20264	9.4
335.25775	1.0
389.23059	3.5
491.97495	0.8
498.44357	0.8
500.77286	0.7
667.45331	100.0
668.45819	10.9
678.69183	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28332	4.8
57.07011	48.4
83.04910	69.2
91.05425	8.0
92.10276	7.0
145.28381	6.1
147.11641	34.6
167.42175	6.4
175.01472	9.9
227.04559	7.1
260.98740	6.3
337.02277	85.5
393.08401	30.0
525.17743	31.6
564.87598	6.3
581.24487	52.7
637.30347	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	1.2
55.01817	0.9
55.05440	7.8
55.15526	0.7
57.03364	2.0
57.07006	3.9
61.02856	3.7
67.05430	13.3
69.03338	8.0
69.06986	16.7
70.06506	3.6
71.04913	1.0
72.08049	1.3
73.02828	1.0
79.05402	13.5
81.03349	2.1
81.06970	43.8
82.07277	1.4
83.04899	2.0
83.08543	10.1
84.08063	2.0
85.02824	23.8
85.06456	1.2
86.09633	4.8
91.03835	1.3
91.05401	14.8
93.06971	33.5
94.07308	1.0
95.04873	2.0
95.08531	67.0
97.02811	9.6
97.10101	4.2
98.05972	1.2
99.04417	1.6
99.08059	1.2
105.06970	50.9
105.80241	0.9
107.08534	76.3
109.02839	2.0
109.06488	1.6
109.10098	38.0
110.07053	0.9
111.08032	2.1
117.06968	9.2
119.08531	60.3
120.08043	1.5
120.08844	1.5
121.06466	2.0
121.10096	63.5
122.10437	1.3
123.08022	3.9
123.11649	13.8
126.92838	0.9
127.03886	4.2
129.07004	1.9
130.07800	0.9
131.08522	31.9
133.10097	52.7
135.08031	3.3
135.11661	33.6
137.09602	4.6
137.13243	3.7
137.19528	0.9
142.07744	0.9
143.08527	7.0
145.04933	1.9
145.10098	63.4
147.11656	41.0
149.09595	3.6
149.13223	18.5
151.11182	1.1
151.14835	1.1
157.10089	9.3
158.10869	1.2
159.11655	51.4
160.12064	1.1
161.13217	32.3
162.13547	1.0
163.07539	1.5
163.11142	32.2
163.14766	16.1
165.09137	3.6
169.10043	1.2
171.11664	6.1
172.12408	1.6
173.13219	30.3
175.11356	1.0
175.14780	40.0
175.16277	1.7
176.15106	1.4
177.12814	3.2
177.16344	44.6
178.16667	2.0
179.14264	5.0
180.08649	6.0
183.11668	3.4
185.13208	11.3
187.14783	43.5
189.16342	98.8
190.16685	5.0
191.14226	6.7
191.17896	14.0
193.15848	1.4
197.13145	1.0
199.14787	12.9
201.16341	80.9
202.16669	3.6
203.14282	4.8
203.17920	22.6
204.18318	1.0
205.15834	100.0
206.16148	4.1
207.17398	22.0
213.16345	4.8
215.14308	1.4
215.17940	9.1
217.15887	6.1
217.19530	3.4
219.17406	34.5
219.19490	1.4
220.17645	1.2
221.15343	2.1
223.16946	1.3
227.17877	4.5
229.19469	1.8
231.17337	2.9
231.20985	0.9
233.15381	1.5
233.18889	1.1
243.20924	1.3
245.18881	1.3
247.16899	5.9
295.24054	2.0
313.25122	2.0
377.31934	1.1
389.32111	6.4
395.33099	8.8
407.32977	78.4
408.33240	4.9
409.34756	1.4
423.32468	1.5
425.34045	56.9
426.34415	2.1
427.31586	1.5
435.32422	19.8
436.32779	1.4
443.35120	17.4
453.33536	76.5
454.33960	6.3
471.34521	21.4
472.34769	1.3
489.35623	4.0
685.37207	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66246	0.7
53.03885	1.4
55.01805	1.6
55.05450	6.7
55.61756	0.8
57.03366	4.0
57.07003	3.9
59.04899	0.7
61.02844	4.9
67.05416	12.8
69.03347	9.2
69.06978	14.3
70.06500	1.1
71.04910	1.3
72.08057	0.7
75.94013	0.7
76.30861	0.9
79.05402	16.3
81.03322	4.8
81.06969	44.0
83.04874	1.4
83.08535	12.0
83.27721	0.7
84.08041	1.2
85.02823	38.7
86.09602	1.0
91.05392	14.3
93.06963	29.0
94.07301	0.9
95.04879	1.0
95.08526	66.3
97.02818	8.8
97.10090	4.9
99.07997	0.9
105.06970	53.2
107.08533	69.3
108.08837	0.9
109.02805	4.9
109.06486	1.5
109.10098	36.5
111.08022	3.4
115.05371	1.0
116.06155	0.8
117.06969	8.2
119.08530	67.3
120.08848	0.9
121.10093	61.1
123.07996	0.8
123.11650	13.0
125.09625	1.1
127.03826	3.5
129.06985	1.0
129.10222	1.3
130.07698	1.3
131.07498	0.9
131.08517	30.2
133.10092	54.9
135.08063	1.5
135.11647	33.1
137.09586	3.7
137.13210	2.8
143.08505	6.0
145.04926	1.6
145.10091	67.2
146.10541	1.2
147.11659	37.8
149.09579	4.5
149.13219	17.2
151.11212	1.6
157.10115	8.4
158.10841	2.0
159.11649	47.4
160.12042	1.0
161.13217	39.6
163.11145	24.9
163.14787	20.5
169.10071	1.3
171.11682	6.2
172.12350	1.3
173.13214	31.3
174.14027	1.4
175.14772	43.1
177.12692	5.3
177.16344	42.5
178.16583	1.0
179.14272	5.0
183.11627	3.1
185.13194	14.5
187.14777	47.0
188.15109	1.5
189.16336	100.0
190.16711	3.6
191.14290	6.1
191.17885	14.5
193.15811	1.9
197.13199	3.0
199.14787	8.0
201.16347	84.5
202.16693	3.6
203.14278	5.5
203.17906	25.4
204.18233	1.0
205.15833	98.3
206.16245	1.5
206.33789	0.8
207.17387	21.5
211.14763	1.5
213.16229	6.2
215.17874	9.1
216.08940	0.9
217.15804	5.1
217.19423	3.3
219.17380	33.3
223.16757	1.4
225.16278	0.9
227.17891	5.0
229.15778	1.4
229.19514	3.6
231.17300	3.6
231.20964	0.8
233.18893	1.5
235.16907	1.1
237.16470	0.9
241.19426	1.4
245.15048	0.9
245.19014	1.9
247.16826	5.2
249.18326	1.0
267.20923	1.1
285.25635	1.6
295.24115	3.4
313.25150	5.3
379.33286	1.3
389.31827	5.1
395.33304	6.2
397.34253	1.0
407.32971	72.6
408.33130	5.6
409.34741	3.4
413.33563	1.1
423.32187	1.7
425.34009	51.2
426.34180	4.7
427.31870	1.1
435.32501	19.5
436.32544	1.7
443.35159	21.7
444.35419	1.2
453.33539	96.5
454.33878	10.1
471.34601	39.3
472.34537	3.8
488.38501	1.0
489.35510	10.6
605.40009	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.5454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78816	1.9
53.00245	2.1
53.03877	3.7
55.01802	3.1
55.05449	53.2
57.03385	15.7
57.07000	11.7
59.47284	2.0
65.03849	2.9
67.05428	87.4
68.10319	1.9
69.06985	62.5
69.34280	2.1
69.35520	1.9
71.04906	3.2
71.08529	9.6
75.08303	2.0
78.06496	2.1
79.05408	50.1
81.03324	2.6
81.06972	84.0
82.52900	1.7
83.04891	13.4
83.08537	36.3
85.06506	2.1
85.10105	2.5
91.05391	28.8
93.06967	55.5
95.04898	14.7
95.08528	50.1
96.37460	1.9
97.06466	9.5
97.10079	18.3
99.08018	2.7
105.06961	9.9
107.08546	24.1
109.10104	31.2
109.70443	2.3
111.08049	2.4
117.06959	8.6
119.08502	10.9
121.10097	21.1
123.07943	2.4
123.11623	3.4
125.09658	2.3
127.14198	2.0
131.08516	9.1
133.10068	4.0
135.11652	15.8
147.11661	2.7
149.13190	11.7
151.11128	8.4
163.14847	2.4
177.12679	2.6
241.19405	3.5
247.24251	2.8
269.17407	4.7
277.21561	9.0
305.00769	2.2
339.28879	40.6
340.29306	2.3
351.25241	11.5
493.38937	11.5
533.41901	100.0
534.41742	9.6
547.64648	2.2
615.49414	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	669.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73068	0.7
67.99681	0.5
70.06516	2.4
71.54749	0.6
72.08064	0.7
81.07038	0.6
84.08079	1.6
86.09638	2.6
91.33531	0.6
91.90422	0.6
97.23109	0.7
113.67355	0.6
115.91944	0.6
120.08087	0.7
122.87695	0.6
129.10220	0.8
149.67908	0.6
205.04680	100.0
206.05157	1.3
223.05745	0.7
225.89175	0.7
246.07471	0.9
263.09039	2.8
278.32193	0.7
385.12357	0.9
415.13907	0.7
445.14423	0.8
460.16885	12.3
461.17905	1.4
606.46136	0.7
669.25110	41.9
669.35144	1.5
669.59637	0.7
670.25635	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	669.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81377	0.8
54.95691	0.6
55.05452	1.7
57.03384	0.8
63.01477	0.7
67.05434	4.8
67.30227	0.8
69.06989	3.4
81.06968	6.0
89.60548	0.8
93.06989	1.5
95.08548	1.7
109.10143	1.1
109.66438	0.7
119.08566	1.5
144.74379	0.8
333.20392	7.6
333.23993	0.9
337.27078	0.9
341.15179	0.8
477.58926	0.7
522.27344	0.8
561.53253	0.9
628.57123	1.0
669.46906	100.0
670.47296	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	669.4694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14025	0.4
52.23407	0.4
55.05439	1.0
57.03363	0.7
59.10410	0.4
67.05428	3.3
69.06992	1.8
79.05408	1.9
81.06985	4.4
83.08541	1.0
86.93406	0.4
91.05417	0.7
92.10307	0.7
93.06956	0.9
95.08553	3.3
99.22694	0.5
107.08528	0.8
109.10104	0.8
110.14705	0.5
114.44877	0.5
119.08581	1.0
158.21350	0.5
169.13139	0.5
333.20224	6.3
335.22043	0.7
337.27197	0.6
348.63376	0.5
389.22971	2.6
405.44540	0.6
668.44800	1.7
669.46863	100.0
670.47186	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	670.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00254	0.3
54.53713	0.2
55.01810	1.0
55.05452	1.2
56.04969	1.2
57.03372	7.8
57.07018	0.3
59.04930	1.3
60.04447	1.4
65.03859	0.5
67.05425	1.5
68.04959	0.3
69.03345	22.6
69.06991	0.5
70.03667	0.3
70.06506	7.8
71.04907	1.8
71.51634	0.2
72.08064	3.6
73.02821	0.5
74.05994	0.5
75.04395	2.7
76.63639	0.3
79.05412	2.0
81.03325	2.2
81.06976	4.2
83.04915	0.4
84.04417	2.9
84.08065	4.4
85.02821	18.4
85.08337	0.3
86.09624	4.5
87.04388	14.7
89.03824	0.3
91.05396	2.6
91.58705	0.3
92.10868	0.4
93.06979	2.2
94.04124	0.7
95.04854	0.6
95.08540	2.1
95.24429	0.3
97.02818	17.3
97.06486	0.3
98.03127	0.4
102.05485	0.5
103.05383	2.5
105.06980	2.8
106.27409	0.3
107.04894	0.5
107.08527	3.0
109.02847	0.4
109.06464	1.9
109.10096	1.8
110.07109	1.7
111.04385	2.8
115.03873	12.6
115.05384	5.6
117.06973	2.0
118.69843	0.3
119.04859	0.5
119.08512	2.5
120.08060	1.5
121.06441	0.3
121.10075	1.3
122.03595	3.8
123.08025	0.4
125.05953	1.7
125.09564	1.3
127.03885	1.3
127.11221	0.4
128.06178	1.2
129.06978	5.0
129.10194	2.5
131.04877	5.9
131.08493	0.4
132.05667	0.5
133.02792	0.5
133.04926	10.3
133.06429	0.6
133.10117	1.4
135.11635	0.5
136.07561	0.5
137.05946	88.0
138.06253	2.1
143.04898	11.1
143.06032	0.4
143.08504	0.5
143.10657	1.6
144.05669	1.2
145.04967	0.7
145.06468	2.1
145.10075	1.1
146.03621	0.6
147.04350	0.7
147.07997	1.5
147.11668	0.6
149.05959	1.2
149.13260	0.5
150.07642	0.6
151.03857	1.6
151.07431	0.5
153.05467	2.4
157.06454	5.6
159.07939	0.6
159.11653	1.5
160.05156	17.8
161.05954	4.6
161.13203	0.6
163.07481	4.0
172.05153	2.2
173.05966	1.1
173.13216	0.4
174.06712	1.9
175.07495	100.0
176.07869	2.9
177.05432	0.5
179.06935	0.4
187.07498	34.0
188.07950	1.4
189.09044	7.1
191.08464	0.7
199.07492	1.4
201.16359	1.7
203.08464	1.9
205.06741	0.5
205.08534	13.6
208.08768	0.5
211.07487	1.9
212.12245	0.3
217.08525	3.5
219.07962	2.3
219.17332	0.4
220.08821	0.5
223.16805	0.7
227.06963	0.5
231.07938	3.1
235.09576	24.4
236.10042	0.5
237.08995	0.4
239.06927	1.3
240.07701	0.3
247.07449	1.2
248.08276	2.3
251.10591	1.6
255.06413	0.7
259.07532	1.9
261.09103	0.4
262.09644	0.4
263.10608	2.4
265.08368	1.2
265.28149	0.3
269.22678	0.3
270.08759	1.8
271.09537	3.4
276.07651	1.3
277.08652	0.7
279.10159	2.3
280.10852	0.3
283.09552	1.1
287.23587	1.3
291.10028	5.5
292.10620	0.6
293.07996	0.4
296.10184	0.5
305.24658	3.9
308.10336	0.4
311.12732	4.3
323.12717	6.4
323.25540	0.5
325.14087	0.5
341.13760	8.8
342.14172	0.4
680.05219	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00249	0.6
53.03895	0.5
55.05447	0.9
56.04966	0.6
57.03371	8.2
59.04935	1.0
60.04454	1.7
61.02858	0.6
62.16566	0.4
67.05454	0.5
69.03350	23.9
69.06999	0.8
70.06507	11.6
71.04916	1.9
72.08070	4.1
72.51670	0.4
73.02805	0.6
74.05992	0.9
75.04396	1.9
78.67474	0.4
79.05408	2.3
81.03348	1.6
81.06979	5.2
82.08559	0.4
83.04897	0.6
84.04430	3.5
84.08064	5.4
85.02339	0.8
85.02832	17.7
86.03162	0.4
86.09637	5.2
87.04400	13.6
91.05431	3.9
93.06989	2.1
94.04121	0.8
95.04902	0.6
95.08530	2.1
97.02821	16.8
101.07099	0.4
102.05463	0.8
103.05408	2.6
105.06981	3.0
107.04884	0.6
107.08585	2.9
109.06462	2.2
109.10116	2.1
110.07116	2.6
111.04401	1.8
115.03883	13.1
115.05406	5.7
117.06973	2.5
119.04886	0.5
119.08513	3.0
120.08046	2.6
121.10085	1.8
122.03592	4.6
125.05974	1.0
125.09586	0.5
127.03853	1.6
127.08474	0.5
128.06166	0.8
129.06973	5.4
129.10211	3.5
131.04898	6.2
131.08540	0.6
133.04947	9.4
133.06503	0.5
133.10075	1.7
135.11664	0.7
136.07538	0.6
137.05954	85.4
138.06303	2.9
142.12132	0.4
143.04903	12.2
143.10666	0.8
144.05708	0.7
145.04967	1.6
145.06444	2.2
145.10075	0.5
146.03590	0.5
147.07933	0.6
149.13206	0.7
151.03900	0.9
151.07471	0.9
153.05446	2.5
157.06465	5.6
159.08032	0.6
159.11562	0.6
160.05168	17.6
161.05972	4.9
163.07515	4.6
165.05414	0.6
172.05156	3.2
173.05919	0.9
174.06708	2.3
175.07510	100.0
176.07826	3.4
177.09154	0.5
187.07512	33.4
188.07860	0.8
189.09087	6.2
191.08530	0.8
193.08565	0.6
199.07492	1.5
201.16333	1.0
203.08545	1.7
205.06737	0.9
205.08546	12.7
211.07465	2.3
217.08563	2.0
219.08046	3.0
231.08000	2.7
235.09605	24.9
236.10150	0.5
239.06972	1.0
247.07520	0.9
248.08279	2.3
251.10561	1.9
255.06477	1.6
259.07431	1.8
260.08090	0.6
263.10580	2.8
269.22534	0.6
270.08798	2.2
271.09531	2.2
276.07764	2.2
277.08566	0.9
279.10120	2.5
287.23523	0.5
291.10071	5.9
293.08234	0.5
305.24777	3.3
309.11063	0.5
311.12842	4.0
323.12747	5.9
323.25659	0.6
324.12820	0.6
325.14032	0.5
341.13727	9.4
342.13940	0.5
669.66443	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00240	0.5
55.05453	3.9
57.07009	38.5
59.45598	0.4
62.80368	0.4
65.03861	9.8
69.07008	0.9
71.04916	0.5
77.16161	0.4
79.05391	0.6
81.06968	0.8
83.04903	14.8
83.08501	0.6
91.05390	9.3
93.06931	0.8
95.08549	0.6
97.01057	0.8
98.98406	0.8
99.02603	100.0
100.02954	1.0
105.06960	5.0
107.08535	1.9
115.05424	0.8
117.06953	1.9
119.08521	5.5
129.06960	0.9
130.07747	0.6
131.08496	0.5
132.09283	2.8
133.10062	2.3
141.06944	6.1
142.07738	3.8
144.52301	0.4
147.08005	0.6
147.11659	33.4
148.11966	0.4
154.07930	0.5
159.08023	2.1
161.13228	1.9
166.99261	0.6
169.07524	0.8
173.04199	2.1
175.01503	12.1
175.05733	0.7
178.99223	0.7
187.01495	0.6
197.00275	9.2
207.46008	0.5
227.04713	2.7
231.12001	0.5
239.04668	2.7
243.02386	1.0
254.98131	0.6
255.02364	4.5
273.03351	11.7
311.08490	0.5
329.09619	18.2
330.09845	0.7
352.65079	0.5
352.99966	21.5
385.15945	1.1
409.06244	17.9
429.03290	0.9
485.09302	7.5
541.15668	18.1
542.15924	2.1
597.21802	34.5
598.22284	2.7
653.28076	87.2
654.28424	10.8
669.45929	0.9
670.46753	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03884	2.9
54.81903	2.1
55.05448	56.4
57.03365	19.8
57.07006	28.8
57.55443	2.8
61.02853	65.4
64.33202	2.2
67.05424	61.0
69.03342	10.5
69.06982	74.7
71.04884	2.1
71.08536	15.5
73.02836	24.4
75.04388	3.6
75.63980	2.1
79.05395	37.8
81.06970	92.0
83.04858	2.7
83.08537	70.1
85.02823	63.8
85.06432	2.9
85.10099	5.5
91.03880	45.6
92.10283	3.0
93.06964	52.7
95.08529	64.8
97.02823	32.7
97.06458	15.5
97.10082	36.1
97.38096	2.4
105.40516	2.6
107.08533	37.6
108.60207	2.8
109.10109	20.8
111.08043	13.4
111.11691	3.9
121.10094	100.0
123.11646	19.1
125.09562	5.1
127.03889	17.3
128.98462	2.5
130.06108	2.6
135.11650	59.1
137.13237	9.3
139.11166	5.4
145.04939	12.8
149.13242	20.2
153.12695	3.3
163.05969	16.7
163.14804	5.9
172.68575	3.0
177.16354	4.1
209.68967	2.5
219.21033	65.3
223.74925	2.5
237.22076	84.8
248.04062	2.9
255.23178	21.4
311.25745	81.1
312.26096	4.0
329.26758	99.9
330.27005	3.3
404.34494	3.0
453.75351	3.0
473.31042	4.9
477.63708	3.3
569.14319	2.9
695.53076	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	670.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	57.6
55.26176	4.3
57.03370	6.6
57.07015	34.2
61.02850	73.4
63.14260	4.0
67.05424	61.0
67.15223	4.1
69.06978	74.1
71.04895	7.4
71.08540	18.4
73.02818	24.0
79.05380	33.8
81.06972	96.1
83.08527	74.3
84.08975	3.8
85.02817	63.8
85.10110	5.7
91.03886	50.1
93.06976	49.2
95.08514	67.7
97.02821	35.2
97.06475	20.3
97.10098	41.1
107.08561	32.9
109.10092	32.0
111.08051	7.9
111.11646	6.1
121.10087	90.4
122.70395	4.1
123.11658	22.5
125.09673	5.8
126.91080	4.9
127.03826	10.6
128.24077	4.0
135.11635	66.6
137.13237	19.5
139.11172	6.1
140.55486	4.8
141.12694	4.1
145.04945	9.9
149.13216	11.2
163.05988	10.9
163.14833	5.8
170.95110	4.1
172.95200	20.8
177.16394	4.7
190.96243	7.5
202.51495	5.1
214.59990	4.6
219.21049	63.5
237.22122	85.3
255.23077	23.6
311.25739	78.3
329.26791	100.0
611.24780	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	671.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95853	0.2
54.82038	0.2
55.05437	0.5
56.04966	1.4
58.69037	0.2
60.27790	0.2
68.04949	5.6
69.03332	0.2
69.06963	0.2
70.06506	100.0
71.06834	1.7
72.08067	1.7
76.56380	0.2
79.08580	0.2
79.72668	0.2
81.06964	0.3
82.06497	0.3
84.04421	15.7
84.08066	2.3
85.02819	0.3
86.09621	2.7
87.05490	0.3
91.05395	0.5
94.75574	0.2
102.05491	0.3
103.05418	0.3
103.64666	0.2
110.07121	1.4
114.05537	0.3
116.07018	0.3
120.08064	1.4
122.06054	0.2
123.07936	0.4
125.07068	0.3
129.10205	1.3
130.06476	1.0
131.07303	0.2
134.05974	0.5
136.07590	0.3
137.05946	1.0
137.09676	0.3
137.10709	0.3
139.08688	0.2
151.03929	0.2
158.08336	0.3
163.08694	0.5
165.09050	1.5
165.10246	3.4
181.09686	10.9
191.08202	0.9
206.09334	0.4
207.09970	0.5
209.09163	2.8
217.08797	0.2
221.08311	0.4
224.10872	0.2
232.11082	0.3
233.08206	0.3
234.09035	0.8
235.09885	0.4
236.10619	0.4
248.10628	2.3
260.10571	1.5
264.12613	1.0
265.13293	2.7
275.11810	1.3
276.10037	0.3
277.13120	0.7
278.11594	0.4
285.10245	0.3
286.08624	0.4
292.14505	2.0
293.12650	2.1
295.10663	0.3
303.11243	2.6
304.09729	0.3
305.12646	0.3
309.12299	1.4
321.12170	1.5
329.16547	0.3
332.08939	0.8
338.14890	5.5
339.15030	0.3
345.15680	0.3
349.11713	2.4
360.17068	0.3
367.12613	0.4
372.17303	0.3
390.18085	1.1
394.17548	0.9
399.34406	0.2
400.16550	1.3
404.15985	0.3
406.17651	1.4
418.17453	5.1
418.22452	0.3
420.18909	0.3
422.34586	0.2
435.20227	3.7
436.18973	0.3
446.17020	16.3
447.17545	1.1
463.19675	11.4
464.19901	1.2
521.33173	0.2
551.82916	0.2
574.22961	0.9
625.27594	1.0
627.29138	0.4
643.28717	2.4
653.27222	0.3
671.28088	17.0
672.28082	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	1.9
57.03360	0.6
67.05421	3.4
69.06989	2.1
69.33123	0.4
70.52253	0.4
73.15688	0.3
76.64804	0.3
81.06962	4.3
83.08553	0.5
93.06969	1.4
95.08531	2.3
97.10084	0.7
107.08556	0.5
109.10107	0.8
119.46058	0.4
121.15104	0.4
127.71163	0.4
138.11459	0.4
172.80370	0.4
259.74722	0.4
335.21829	8.1
337.27505	0.8
391.24387	2.7
596.77875	0.4
670.46869	0.6
671.48383	100.0
672.48743	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	672.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34039	0.4
53.00243	0.5
53.03883	0.3
54.14325	0.4
55.01801	0.8
55.05447	0.6
56.04956	2.3
57.03374	5.0
60.04434	0.9
64.34521	0.4
68.04939	0.4
69.03014	0.6
69.03349	13.3
70.06143	0.7
70.06507	16.0
71.06839	0.6
72.08064	5.1
73.02792	0.4
74.05973	1.8
75.04371	1.1
79.05421	0.4
81.03319	0.9
81.06966	0.5
81.48113	0.4
84.04433	6.3
84.08062	7.2
84.69866	0.4
85.02824	10.0
86.09146	0.6
86.09626	10.6
87.04393	4.5
87.09959	0.5
88.03920	0.5
91.05415	1.0
93.06966	0.5
95.04901	0.5
97.02824	7.5
97.26655	0.4
98.05962	0.8
101.07053	0.5
102.05476	2.1
103.05378	2.4
105.06963	0.6
107.04876	0.6
110.07112	4.1
111.04414	0.5
115.03868	4.1
115.05397	0.8
117.06984	0.7
120.08018	2.6
120.45617	0.4
128.06146	1.8
129.06984	10.5
129.10191	7.2
131.04897	3.2
131.08525	10.2
133.04936	3.6
135.08028	0.7
136.07553	0.7
137.05933	7.7
141.06964	8.2
141.10257	0.6
143.08531	1.1
144.05647	0.6
145.06470	0.9
146.07227	0.7
149.05957	0.5
151.07535	1.0
157.06456	11.6
158.07213	3.6
159.08009	9.9
160.05179	0.8
160.72226	0.4
161.05936	1.1
161.09528	0.9
162.06703	1.0
163.07504	2.7
167.06979	0.6
169.06412	5.1
170.07167	2.4
171.08026	1.9
171.11223	0.4
173.05920	0.6
174.05212	1.0
174.06723	20.7
175.07495	6.1
176.08101	0.6
186.06740	4.8
187.07533	0.7
188.08255	2.0
189.09070	42.5
190.09283	1.8
191.07098	0.6
191.10614	2.8
201.09052	14.5
203.10645	4.5
207.10175	0.7
219.10118	100.0
220.10509	4.0
221.11649	2.0
234.21021	0.5
237.11189	1.8
369.86905	0.4
370.13065	0.5
447.16013	0.6
456.79953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01812	0.2
55.05438	0.3
56.04964	0.3
57.03142	0.2
57.03373	3.0
59.04918	0.7
60.04439	0.7
67.05405	0.2
69.03348	7.0
69.69845	0.1
70.06141	0.2
70.06504	3.8
71.06828	0.1
72.08065	1.7
73.02817	0.2
75.04388	0.7
76.67269	0.1
81.03322	0.3
84.04420	0.7
84.08057	1.9
85.02338	0.2
85.02825	5.8
86.09616	1.5
87.04388	4.3
91.05409	1.2
95.04899	0.2
96.59666	0.1
97.02822	5.2
102.05489	0.2
103.05391	0.3
103.71277	0.1
105.85535	0.1
110.07092	1.1
115.03884	4.4
115.05421	1.1
117.06947	0.7
119.04887	0.2
120.08070	0.5
122.03572	0.2
125.33113	0.1
127.03828	0.2
128.06161	1.2
129.06960	7.0
129.10202	1.1
130.07286	0.2
131.04893	1.3
131.08533	8.3
132.08879	0.2
133.04932	3.0
136.07544	0.2
137.05951	4.3
138.06287	0.2
141.06960	5.8
143.04842	0.3
143.08539	0.7
143.85963	0.1
144.05649	0.8
145.04987	0.2
145.06447	1.2
146.07214	0.7
147.04314	0.2
148.05080	0.2
149.05920	0.2
150.07597	0.3
151.07527	1.6
157.06461	7.1
158.07248	2.8
159.08012	7.3
160.05153	0.9
160.08353	0.2
161.05981	0.6
161.09560	0.9
162.06645	0.5
163.07507	1.0
169.06413	3.5
170.07228	1.6
171.08011	1.3
173.05966	0.3
173.09488	0.2
174.06721	15.8
175.07503	4.1
176.08098	0.2
177.09111	0.8
179.07042	0.2
186.06711	3.9
187.07394	1.0
188.08238	1.1
189.09065	31.5
190.09431	0.6
191.06960	0.2
191.10597	2.5
201.09073	11.8
202.09412	0.3
203.10596	2.9
207.10103	0.8
219.10120	100.0
220.10431	2.9
221.11688	1.5
227.10468	0.2
237.11182	1.8
285.11328	0.2
325.14273	0.2
331.15286	1.1
387.75592	0.2
541.70258	0.2
579.01520	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71554	0.3
53.00238	0.8
53.03867	0.6
55.01811	0.7
57.03371	9.3
59.04924	2.3
59.81574	0.3
60.04462	0.7
61.02836	0.4
65.13383	0.4
69.03349	27.5
69.79523	0.4
70.06504	2.8
72.08070	0.4
75.04387	2.4
79.05374	0.4
81.03323	1.7
81.06975	1.5
84.04421	1.8
84.08058	1.8
85.02826	20.7
86.09621	2.1
87.04391	15.9
91.05402	11.4
91.05938	0.5
94.04115	0.6
95.04893	3.5
97.02821	19.4
97.03448	0.7
99.04401	0.6
103.03883	0.5
103.05419	4.1
105.06983	3.2
107.04893	3.6
109.02849	0.8
109.06464	2.4
111.04373	0.7
115.03872	14.2
115.05333	0.8
117.06966	1.8
119.04906	8.3
119.08518	0.5
120.08081	0.5
121.06470	3.9
122.03606	2.9
123.04324	0.6
123.08030	0.9
125.05975	0.6
127.03860	2.0
128.06158	1.5
129.06944	6.8
129.10182	0.6
131.04881	8.5
131.08524	0.8
133.04929	8.5
133.06458	2.7
135.08018	2.8
136.05215	0.7
137.05952	62.2
138.06261	4.0
143.04886	0.8
143.08511	0.9
145.04922	0.5
145.06459	2.5
146.03561	0.6
147.04379	0.9
147.07913	0.9
149.05971	9.0
150.07573	2.1
151.03912	2.3
151.07518	61.1
152.07878	1.8
157.06474	5.6
158.07239	0.5
161.05940	12.6
161.09584	2.0
162.06499	0.7
163.03812	0.6
163.06139	1.0
163.07506	25.7
164.07968	0.5
165.06952	2.5
165.09081	3.2
167.08521	6.0
168.64490	0.4
171.08023	1.6
174.06696	3.7
175.07515	11.0
176.07858	0.8
177.09067	26.8
178.07709	1.9
178.09399	0.5
179.08560	0.6
181.06450	0.9
182.07167	0.7
184.76126	0.4
187.07440	1.4
188.08008	0.5
189.07341	0.9
189.09077	21.2
191.06993	0.9
191.08626	0.7
192.08978	0.6
193.06503	3.4
193.08469	0.7
193.10019	3.5
194.07196	0.5
195.08028	12.1
195.10081	2.2
197.05891	0.7
197.09583	0.7
199.07529	0.8
203.06961	0.8
203.08549	1.4
203.10477	0.5
205.06511	0.7
206.07204	0.6
207.08084	0.9
207.10130	3.6
209.07983	1.5
209.09653	2.7
210.06635	1.0
211.07469	0.6
212.08286	2.6
219.08040	1.7
219.10225	1.9
220.08479	0.6
221.05992	5.4
221.09581	6.0
221.11728	4.8
222.06602	0.5
223.07503	6.4
224.08191	0.6
225.05580	0.7
225.09059	4.9
227.10625	19.9
231.08057	0.6
233.09648	0.9
234.06702	0.7
235.07486	1.7
237.09070	2.6
238.06224	1.9
238.09836	1.0
239.06923	0.6
239.10654	0.8
240.07750	1.6
241.12170	0.8
247.07481	0.6
249.09015	4.1
249.11267	1.7
250.09805	0.6
251.10506	1.0
252.07748	1.0
252.11067	0.5
253.08554	9.8
253.12177	10.6
254.09122	0.6
255.10095	20.6
261.08966	0.8
264.07922	0.7
265.08554	2.3
266.09189	0.6
267.10092	4.4
269.08066	3.2
269.11584	1.6
270.08765	0.7
272.10349	2.1
277.08606	0.7
278.09344	0.7
279.10114	1.8
280.10437	0.6
281.11621	4.9
282.08682	0.5
284.10468	1.8
285.11151	12.5
286.11591	0.4
287.12720	27.8
288.13031	0.7
293.08173	0.4
293.11746	2.3
297.11172	2.5
298.11761	0.6
299.12744	3.9
301.14319	0.6
305.11578	0.7
309.11102	2.4
311.12686	7.1
312.12973	0.8
313.14261	15.1
314.14639	0.8
323.12595	0.8
325.14191	0.7
331.15329	100.0
332.15720	6.3
335.12817	0.5
341.13766	0.9
343.15280	11.7
343.19101	0.7
355.15240	1.5
379.15335	1.0
397.16507	0.5
409.16443	3.1
439.17758	0.6
445.18509	2.0
463.19461	2.1
547.98730	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30447	0.7
53.41460	0.7
55.05444	1.3
56.04967	2.0
56.96498	0.9
57.03363	5.4
59.04939	0.7
59.17434	0.6
60.04458	0.7
61.01060	0.7
61.95189	0.8
64.02014	0.7
67.05401	1.0
67.41236	0.7
69.03341	12.0
70.03348	0.7
70.06506	23.4
71.06829	1.2
72.08080	6.6
72.08397	0.7
72.53765	0.7
75.04395	1.4
77.64648	0.8
81.03351	1.0
81.07000	1.4
84.04426	6.3
84.08062	10.3
85.02818	13.8
86.09617	13.7
87.04404	7.0
87.10016	0.8
91.05411	3.3
93.06982	0.9
94.04064	0.8
95.04888	1.2
97.02837	6.6
102.05484	1.7
103.05390	5.4
105.06975	1.6
107.04889	1.3
107.08558	1.2
109.06404	1.1
109.10119	1.2
110.07104	4.7
115.03865	5.5
115.05391	1.3
115.08640	1.4
116.98534	1.3
117.06963	1.0
119.04871	1.4
119.08523	1.3
120.04440	2.0
120.08060	4.1
121.06527	1.1
122.03602	3.5
129.06938	1.0
129.10175	7.9
130.05019	0.9
130.07298	0.8
131.04883	17.9
133.04904	3.5
136.07503	1.2
137.05942	100.0
138.06293	10.2
139.06462	1.0
143.04863	3.4
145.06439	1.4
149.05888	1.0
151.07555	9.2
157.06442	1.8
160.05138	3.8
161.05841	3.9
163.07506	8.9
165.08983	1.0
167.06929	1.0
175.07494	23.3
176.07838	11.0
177.09070	3.8
181.08557	2.9
187.07481	7.2
188.07889	4.1
189.09059	4.4
205.08527	1.8
223.07169	1.0
227.10527	0.9
235.09569	3.7
236.10010	3.1
255.10112	1.1
272.37387	0.8
279.09949	1.0
281.07928	0.8
285.11191	1.2
287.12592	1.4
291.10159	1.1
313.14386	1.1
331.15356	10.7
343.15024	1.8
426.91895	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3919
Annotation	Kirkinine
Peak:m/z	Relative Intensity
59.59623	2.1
62.03734	2.4
70.06503	21.1
72.08060	5.4
81.06953	2.9
84.04414	11.0
84.08062	19.6
86.09600	17.3
91.05376	3.8
92.64008	2.6
98.17229	2.6
98.84844	2.7
105.06944	3.1
110.07100	6.2
129.10190	4.4
137.05902	3.3
147.29407	2.4
147.50148	2.3
149.65207	2.6
167.06845	2.9
169.20750	2.6
185.04211	3.4
205.04713	2.8
211.69652	2.5
229.48228	2.8
283.93335	2.9
402.34146	2.8
487.33655	3.0
511.33356	5.2
673.38953	100.0
674.39258	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	673.3917
Annotation	Kirkinine
Peak:m/z	Relative Intensity
65.75072	1.8
67.15435	1.7
68.66851	1.6
69.79072	2.1
70.06501	8.7
72.08085	3.5
76.56501	2.3
84.08064	8.7
86.09649	3.1
109.61539	2.1
110.07081	1.9
129.10136	2.2
131.04916	2.1
142.12889	1.9
294.74286	1.9
317.41315	2.1
598.42719	2.3
629.40247	8.7
673.39117	100.0
674.39288	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	673.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59214	1.1
54.82399	1.2
55.05439	1.6
55.15960	1.1
57.06999	1.6
60.03898	1.2
61.17239	1.3
62.53976	1.2
67.05414	2.1
69.06981	2.9
74.37782	1.1
89.05965	1.8
109.10117	1.5
110.45084	1.2
131.08574	1.3
168.53889	1.2
257.50610	1.5
335.21957	6.0
391.24350	1.7
479.24759	1.4
673.49902	100.0
674.50336	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	674.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67336	0.3
54.98568	0.4
55.05450	3.0
57.07015	4.1
62.42631	0.3
63.04128	0.3
71.04547	0.6
71.04910	9.3
76.94402	0.3
83.04900	21.6
97.07587	0.5
98.79527	0.3
101.05957	5.5
101.82478	0.3
107.04896	66.2
108.05235	0.9
112.89123	0.3
121.06462	3.0
131.48381	0.3
143.08173	1.5
147.08035	8.9
149.05954	19.1
159.08022	6.5
161.08057	6.8
163.11145	100.0
164.11458	3.3
177.12724	0.5
203.14299	4.5
205.12212	3.6
219.17409	30.0
220.17725	1.5
234.74721	0.3
249.11043	0.6
267.12210	52.3
268.12482	2.3
309.13370	0.7
323.18472	43.4
324.18857	2.3
365.19421	0.5
379.24750	2.4
402.51486	0.3
415.17398	13.8
416.17691	0.5
433.18488	13.7
433.24301	0.5
434.18942	0.7
471.23642	14.6
472.24109	0.7
489.24738	14.1
490.25244	1.4
527.22247	0.7
527.29944	17.1
528.30139	1.6
545.31024	6.9
546.30725	0.4
583.35876	1.8
639.42126	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00264	2.3
54.25013	1.8
55.05445	10.9
57.07016	54.4
59.58297	2.2
62.46526	2.4
67.05391	2.8
69.06956	3.3
71.08559	24.7
73.02824	2.3
73.06453	11.7
76.11754	2.7
79.05413	2.6
81.06969	2.9
83.04890	14.6
83.08532	2.2
84.05228	3.0
85.10113	18.2
87.04385	11.9
89.05956	100.0
97.10101	4.0
105.07015	2.7
107.07034	4.3
113.37178	2.3
117.09110	3.5
133.08571	33.6
156.92961	2.3
175.01585	4.6
177.11157	13.7
181.02531	11.7
221.13779	2.4
243.23070	4.6
287.25729	2.6
314.12146	3.4
319.49933	2.4
455.29797	2.4
601.25775	9.9
631.91376	2.6
657.31635	20.0
657.47003	3.6
674.49939	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	675.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34129	0.6
55.01802	5.3
56.04996	0.7
57.03365	1.7
58.06527	2.1
58.99508	1.9
59.04926	7.3
59.99921	0.8
60.04426	1.0
61.02855	1.7
63.54118	0.9
67.89789	0.8
69.03005	1.4
69.03352	24.1
70.06496	2.2
71.04903	0.9
72.08065	0.9
73.02824	4.1
74.00575	14.7
74.02341	1.9
76.02144	11.9
76.03896	4.9
81.03336	3.8
83.06014	7.6
84.04434	15.2
84.08080	1.2
84.79781	0.8
85.02821	21.0
85.03941	14.9
86.00565	1.0
86.05942	1.0
86.09612	2.1
86.98975	1.4
87.04403	1.1
87.59717	0.7
88.03897	8.5
91.73324	0.7
92.01606	9.4
92.10506	1.5
94.06487	1.8
96.04385	0.9
96.59488	0.8
97.02820	10.3
97.93037	0.8
98.06019	0.9
98.97532	1.4
99.04400	1.0
100.02143	2.0
102.00082	1.4
102.98459	1.1
105.00057	1.3
107.05991	1.1
107.99339	9.9
109.02788	1.4
109.07586	1.5
112.02119	2.0
112.03893	5.0
113.03447	6.3
115.03893	0.9
115.04675	0.8
116.01588	1.6
116.98579	3.8
117.99548	4.4
120.01113	4.5
120.08181	0.9
120.99507	26.2
122.02674	41.4
127.03873	3.5
129.06557	4.7
130.04141	1.1
130.04962	30.2
131.02744	1.8
131.04480	17.9
131.99329	11.3
137.73111	0.9
138.05492	3.0
139.03185	3.5
140.01616	4.4
142.03185	12.1
142.04974	1.1
144.01149	0.9
144.04768	1.2
145.04948	1.1
145.06064	1.5
148.00644	1.1
151.98329	3.6
153.06566	4.4
155.08133	13.6
156.06525	2.0
158.02623	0.8
159.02200	5.7
160.00584	3.5
161.01221	1.4
162.02107	1.2
162.05804	20.7
175.11826	1.2
177.03256	44.9
179.04851	1.8
181.06067	4.6
185.03764	31.3
188.03745	42.0
189.04045	1.0
190.05251	11.9
191.03882	1.2
199.07123	4.7
200.07904	1.6
204.54350	1.3
206.04785	100.0
207.05170	1.8
208.06349	45.6
211.02002	10.0
213.51070	0.8
219.02362	1.6
231.04289	61.3
232.04608	1.7
235.02020	12.7
235.92293	1.0
237.02768	2.2
265.03012	13.0
281.06204	5.1
288.06470	1.5
291.04578	1.6
298.05219	12.7
366.07639	1.4
384.08838	82.0
385.09140	4.2
393.39081	1.0
438.09976	22.9
450.09790	1.6
513.13080	56.9
514.13184	3.7
573.45453	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05436	2.1
57.07014	3.2
64.33503	1.5
65.27461	1.7
66.42717	1.6
67.05425	4.1
72.50485	1.9
73.14444	1.4
81.06979	7.2
86.23175	1.6
93.06973	2.9
95.08542	2.2
105.06976	2.2
107.08526	2.4
109.10116	2.3
136.06181	3.2
302.68695	2.2
407.14093	30.6
674.49927	2.8
675.26306	100.0
675.44440	9.0
676.26556	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	676.274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02204	0.6
50.75880	0.6
55.01796	1.1
55.05452	6.1
56.04978	5.1
56.96502	1.2
58.99525	6.0
60.04449	4.0
61.02838	0.7
67.05400	3.7
69.03337	7.5
69.06973	3.3
70.02868	22.9
70.06509	25.2
71.06020	1.3
72.04391	0.8
72.08067	5.7
73.01064	1.0
73.08450	0.7
73.44505	0.7
74.02340	4.6
74.05984	1.9
76.02138	14.2
76.03920	9.4
78.48261	0.8
79.05408	4.6
81.06963	4.3
82.06496	1.3
83.04443	0.9
83.04904	19.4
83.06013	4.1
83.08549	0.8
84.03943	1.5
84.04426	36.0
84.08069	8.4
85.01051	3.0
85.02823	3.4
85.06436	0.9
86.09620	11.4
86.98969	3.4
88.02161	0.7
88.03907	4.5
91.05415	7.9
93.06977	4.4
95.04895	1.5
95.05991	0.8
95.08522	4.9
97.01054	0.8
97.02853	0.7
98.97511	4.1
99.02587	1.0
99.05499	12.4
101.07075	0.9
102.05486	3.2
103.05370	3.7
104.05308	1.1
105.06975	24.2
107.04884	1.1
107.08549	6.0
108.04448	1.1
108.08077	11.6
109.06426	0.8
109.07600	8.1
109.10129	0.8
110.05991	0.8
110.07130	3.8
111.02627	5.8
115.05403	1.1
116.01606	13.2
116.03391	4.8
116.98573	4.0
117.06928	1.1
119.08537	26.5
120.08059	4.5
121.06468	3.3
121.10086	4.4
122.09561	2.0
123.08015	3.8
125.04202	1.8
125.07065	4.6
127.04957	0.7
129.06589	3.7
129.10214	6.7
130.04974	14.9
130.07727	1.0
131.04904	6.7
131.08502	1.8
133.06435	6.6
133.10095	3.8
134.99651	0.8
135.08011	1.8
135.11638	0.7
136.07512	2.6
137.04247	7.8
137.05949	16.9
139.05762	2.8
140.05267	10.1
141.06509	0.9
142.03194	3.2
143.08534	1.5
144.01117	4.5
145.06061	66.7
145.10091	4.3
146.10809	0.8
147.08017	10.0
147.10487	1.3
147.11664	31.3
148.11095	1.1
149.04193	7.5
149.09621	3.0
150.09126	4.3
151.05725	0.9
151.07530	1.0
153.06589	4.7
155.08148	9.3
156.09325	4.6
159.11629	5.4
160.11214	1.0
161.05943	2.7
161.09560	1.0
161.13216	5.6
162.02177	12.5
163.05716	12.3
163.07495	1.6
163.11076	1.1
165.03647	3.2
165.07268	3.1
166.06808	13.1
167.07005	3.1
169.06064	1.8
170.10832	0.9
171.07689	1.4
171.11635	3.5
173.09529	1.4
174.10339	3.8
175.07426	3.0
177.03499	0.9
179.04842	11.6
179.08891	5.4
180.08418	3.7
181.06027	1.5
185.09245	1.0
187.11121	6.0
188.11960	1.2
189.07248	1.4
189.12708	55.2
190.13057	1.2
191.05191	4.2
191.06805	0.9
193.10475	4.1
199.07065	7.0
201.82520	0.7
202.12202	0.8
203.14308	1.0
205.10382	8.9
206.15347	12.6
207.13768	2.8
208.07846	1.4
216.13786	0.8
221.09962	6.8
223.11479	11.5
229.06439	1.1
233.05870	1.8
237.02861	0.9
247.11429	21.5
264.14111	25.1
269.09488	11.8
274.10275	4.6
275.10931	4.1
292.13571	2.7
308.09006	1.5
330.15277	2.8
350.14063	5.2
367.16782	100.0
368.16855	1.5
375.71063	0.9
402.90341	0.8
406.67554	0.9
421.17853	15.9
425.14438	1.6
433.17889	0.8
478.19748	0.9
496.21014	64.8
497.21210	1.8
497.86014	0.9
675.35150	2.7
676.02026	1.0
676.35126	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74823	1.0
52.22219	1.1
54.81982	1.2
55.05452	7.7
56.04967	3.5
57.03362	1.3
59.37394	1.3
60.04451	2.5
61.02862	1.6
67.05426	6.0
68.04949	1.9
69.03338	5.8
69.06952	2.3
70.06503	42.8
71.04879	1.9
71.06837	1.6
72.08070	26.4
74.05968	2.7
75.52003	1.1
79.05386	5.8
81.03331	2.1
81.06965	15.7
83.08506	1.4
84.04424	16.7
84.08056	28.5
85.02821	12.8
85.04736	1.4
86.09620	26.8
91.05399	13.3
91.53680	1.3
91.68253	1.5
93.06958	23.9
95.04893	5.5
95.08530	19.1
97.02824	2.4
97.06445	2.0
98.64962	1.5
99.04333	1.6
101.07087	2.0
102.05443	6.8
103.05391	5.2
105.06960	44.9
107.04886	1.5
107.08537	20.4
109.06477	6.6
109.10070	11.8
110.07075	3.1
111.04375	1.8
111.08001	2.5
113.05953	1.6
117.06964	7.1
119.08527	35.0
120.08044	19.0
121.06443	12.9
121.10089	8.2
123.08017	8.3
128.06189	1.3
128.73833	1.5
129.06955	3.2
129.10175	12.9
131.08516	23.8
133.06477	2.5
133.10068	11.5
135.08018	8.0
135.11638	1.5
136.07535	2.2
137.05954	10.1
137.09563	15.2
139.07526	1.5
140.95964	1.3
141.06923	1.2
141.10190	2.8
143.08513	15.1
145.10080	15.0
147.08020	8.3
147.11653	8.7
149.05933	1.4
149.09578	2.9
151.03827	2.3
151.07579	3.3
155.08522	11.1
157.10097	21.0
159.08052	1.8
159.11644	15.0
161.05960	1.7
161.09601	6.6
163.07468	1.4
165.09109	2.7
166.08606	1.7
167.06935	2.5
167.08299	1.8
169.10054	12.7
171.07991	1.5
171.11618	17.9
173.09550	3.1
173.13196	7.6
175.11165	3.0
177.05409	1.7
181.10023	2.9
183.11679	13.1
185.09564	1.3
185.13196	7.3
187.11099	3.0
193.10092	3.0
195.11594	7.7
197.09590	1.6
197.13197	14.0
199.10913	1.7
199.14812	11.4
201.12645	6.1
207.11536	4.9
208.12437	1.9
209.13123	5.0
211.11133	1.7
211.14697	10.1
213.12704	2.6
213.16341	3.2
221.13272	2.4
223.14757	7.0
225.12726	2.5
225.16344	5.9
235.14786	1.6
237.16440	1.6
239.14240	2.9
239.17892	8.0
241.15764	6.9
241.19370	1.8
243.13690	3.2
243.17372	2.3
253.15887	2.1
253.19417	13.5
263.17963	5.9
269.18945	5.1
271.17026	2.8
271.20563	8.4
281.18906	30.5
287.20212	1.7
299.19971	63.5
300.20221	2.9
317.21017	100.0
318.21381	9.4
335.22116	2.9
675.47333	7.5
676.48077	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	676.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21001	1.6
51.49879	1.6
55.05441	4.9
56.04976	2.8
57.03388	2.5
58.27546	1.8
64.97154	2.0
67.05431	3.1
69.03342	9.5
69.06976	20.2
70.06142	2.1
70.06511	47.2
71.04910	4.1
71.63743	1.6
72.08051	20.7
79.05418	4.8
81.06962	12.6
81.34197	2.0
82.93009	2.0
84.04413	11.9
84.08044	20.2
84.44852	2.0
85.02821	31.4
86.09625	27.1
91.03826	2.5
91.05402	10.2
93.06963	13.9
95.04895	10.4
95.08539	13.2
97.02813	5.0
97.06468	4.4
102.05495	4.9
103.05376	4.9
105.06963	24.5
107.08524	17.6
109.02832	2.5
109.06450	4.4
109.10104	11.5
110.07104	13.7
115.05399	2.2
117.06934	3.2
119.08525	12.5
120.08055	13.2
121.06448	11.9
121.10094	13.8
123.11659	3.2
125.09566	3.9
127.86564	2.0
129.06903	3.0
129.10204	13.5
131.04926	2.2
131.08498	18.6
133.10097	5.3
135.08040	3.7
136.07550	4.2
137.05942	14.6
137.09557	2.7
141.06963	2.1
143.08536	14.5
145.04948	2.7
145.10098	19.7
147.08055	2.9
147.11650	5.1
149.09604	2.7
155.08530	3.9
157.10100	19.5
159.11641	15.3
163.07521	3.8
167.07089	7.1
167.08397	2.6
169.10059	10.1
171.11629	13.0
173.13203	8.5
175.11154	9.0
183.11647	11.8
185.13210	4.8
187.11067	2.2
189.05576	2.3
189.12639	2.9
195.11684	4.2
197.13205	11.3
199.11078	3.1
199.14760	4.1
201.12648	4.3
203.14258	2.6
207.97351	2.6
209.13240	2.9
211.14772	8.2
213.16319	5.3
215.14377	3.2
223.14760	2.4
227.17842	2.6
229.15883	2.7
239.17873	2.9
253.19473	3.4
255.17378	13.5
256.06949	2.4
257.18973	2.2
263.17868	2.9
271.20386	2.8
281.18948	12.1
299.19934	22.4
309.11063	3.3
317.21005	70.2
332.83011	2.3
335.22086	100.0
336.22397	3.0
435.31567	2.4
489.91986	2.2
535.21802	2.5
549.51709	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2407
Annotation	Brosimone A
Peak:m/z	Relative Intensity
55.05452	2.6
56.04970	3.4
57.03366	1.2
60.04453	2.2
63.33050	1.3
65.62118	1.3
67.05418	1.4
69.06990	2.1
70.02856	1.4
70.06509	66.1
71.06833	2.0
72.08070	22.0
74.05988	2.9
81.06981	1.6
83.06031	2.8
84.04422	17.3
84.08070	39.4
84.08535	2.8
85.02813	7.0
85.08420	1.8
86.09631	39.6
87.09937	2.4
88.03909	2.4
91.05408	2.7
95.04868	1.7
100.11182	3.0
101.07093	3.0
102.05490	3.7
103.05434	1.5
104.05280	2.4
105.06972	2.3
107.04941	1.8
107.08551	2.4
110.07127	18.5
112.08675	2.9
115.08665	2.7
120.08067	16.6
120.08794	1.7
127.08557	1.9
128.07068	1.7
129.10201	21.9
131.08530	1.7
133.02850	1.7
135.07997	1.8
136.07552	2.6
137.05934	12.3
145.10114	1.7
151.03920	2.5
151.07529	1.8
158.41579	1.7
159.07907	1.7
160.21556	1.5
163.07445	1.8
205.18188	1.8
210.14870	2.8
215.43361	1.5
231.04228	1.8
237.02943	1.7
414.59500	1.7
533.47369	1.7
677.24054	100.0
678.24615	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	677.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81405	0.1
55.01807	0.1
57.03375	0.1
57.65771	0.1
61.02821	0.1
61.15725	0.1
69.03333	0.2
70.98992	0.1
72.02145	0.1
73.02812	0.1
84.04427	0.1
85.02827	0.5
86.09635	0.1
87.98032	0.1
97.02768	0.1
105.06647	0.1
112.31310	0.1
119.03512	0.5
122.02662	0.2
129.57076	0.1
131.04480	0.1
136.06161	100.0
137.04620	0.1
137.06644	1.4
177.03323	0.1
206.04836	0.1
231.04213	0.1
251.15749	0.1
268.10349	14.6
269.10626	0.7
354.25006	0.1
386.08698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57243	1.3
53.03877	1.5
54.81966	1.7
55.05445	18.0
57.03362	10.8
57.06997	3.5
61.02858	43.0
67.05077	3.6
67.05424	97.1
69.03345	3.3
69.06979	20.2
71.04892	2.7
73.02827	18.2
79.05402	56.1
81.06972	100.0
81.07447	3.9
83.04862	1.8
83.08524	8.5
85.02821	37.0
85.06467	2.7
91.03332	2.5
91.03877	42.3
91.05391	31.4
93.06970	77.2
95.04897	3.1
95.08532	76.1
97.02814	19.1
97.06473	2.6
97.10076	2.9
99.04343	2.0
104.01027	1.5
105.06963	22.5
107.08536	51.1
109.06438	2.4
109.09391	2.1
109.10101	38.2
111.08018	2.2
117.06944	13.2
119.08534	19.1
121.10081	53.0
123.11678	17.6
125.09634	1.9
127.03864	12.1
131.08507	28.7
133.10097	17.8
135.11638	26.6
137.13219	3.8
143.08582	2.2
145.04965	12.6
145.10110	20.4
147.11674	17.4
149.13213	24.5
151.11142	2.3
159.11665	17.5
161.13229	12.6
163.05980	14.5
163.14796	12.6
164.50623	2.0
173.13248	13.1
175.14821	2.1
177.12654	3.1
177.16260	2.6
179.14320	1.8
187.14832	13.0
201.16350	2.2
233.22636	2.2
243.21042	26.6
261.22067	91.4
279.23279	2.2
335.25772	12.4
353.26807	39.6
362.38870	1.8
504.22412	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66598	0.9
50.86104	1.0
52.98389	0.8
53.03878	1.8
54.82440	1.2
55.04090	0.9
55.05221	1.1
55.05452	20.8
57.03371	7.6
57.07005	4.9
61.02852	22.7
65.03860	1.2
67.05424	93.9
68.16227	1.0
68.77490	1.0
69.03336	4.4
69.06982	17.8
71.04877	2.3
73.02831	8.6
74.68357	0.8
75.04390	1.3
79.05403	59.1
81.03320	2.2
81.06972	100.0
82.07294	1.3
83.04939	0.9
83.08530	7.5
85.02824	24.9
85.06462	1.6
91.03870	21.9
91.05396	26.5
92.10234	2.1
93.06968	75.4
95.04891	6.4
95.08532	69.8
95.09157	2.2
97.02819	10.1
97.06456	1.7
97.10081	3.6
99.04369	1.7
99.08038	1.1
105.06973	22.2
107.08530	41.3
109.06461	2.0
109.10110	32.7
115.03806	1.1
117.06956	11.2
119.08511	14.9
121.10098	34.5
123.11636	14.8
127.03837	5.8
131.08510	19.1
133.10086	17.5
135.08038	1.2
135.11652	25.1
137.09554	1.0
137.13199	4.2
139.11133	1.4
145.04930	4.7
145.10078	15.7
147.11684	10.8
149.13219	16.4
159.11629	12.0
161.13173	8.5
163.05934	4.7
163.14745	10.8
173.13228	13.6
175.14726	2.0
177.16354	4.9
187.14761	6.6
191.27885	1.0
201.16386	2.1
203.18001	1.1
206.07674	1.2
219.17337	1.6
233.22615	1.8
243.21016	24.7
261.22064	54.8
262.22598	1.5
264.88507	1.1
279.23199	1.7
335.25723	20.1
336.26129	1.0
353.26779	24.8
497.30737	4.4
544.04944	1.1
608.98694	1.1
643.42834	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	0.2
53.93256	0.1
54.81396	0.2
55.05447	1.3
57.06990	0.3
57.58475	0.2
65.03857	1.4
65.53194	0.2
65.53999	0.2
67.05424	2.0
69.07001	1.6
79.05403	1.4
81.06968	3.9
83.08546	0.5
91.05399	18.4
93.06967	4.3
95.04855	0.2
95.08528	6.0
97.10085	0.3
105.06966	3.8
107.07851	0.4
107.08522	5.1
108.08782	0.3
109.10092	5.0
117.06961	1.1
119.04888	40.5
119.08535	6.0
120.05219	1.1
121.10083	6.0
123.11629	1.1
129.06952	0.2
131.08528	2.4
133.10086	7.5
135.11656	3.3
136.15335	0.2
137.09529	0.2
137.13211	0.4
143.08513	1.2
145.10091	6.2
146.10765	0.2
147.04379	100.0
147.11650	3.1
148.04707	2.4
149.13223	1.4
151.11197	0.2
155.08426	0.2
157.10085	1.9
158.10898	0.3
159.11653	4.8
161.13203	2.5
163.07562	0.2
163.14792	0.4
166.42805	0.2
169.10077	0.3
170.10878	0.3
171.11650	2.1
173.13165	2.0
175.14774	2.6
177.12656	0.3
177.16350	1.1
179.14305	0.3
183.11667	0.8
185.13229	2.1
187.14760	3.7
188.53204	0.2
189.16342	1.4
191.14175	0.2
191.17891	0.4
193.15877	0.4
197.13217	0.8
199.14728	1.1
201.16371	2.8
203.14297	0.3
203.17917	0.9
205.15843	1.6
210.14221	0.2
211.14687	0.4
213.16283	1.1
214.16914	0.2
215.17946	0.9
217.19414	0.3
219.17343	0.9
222.50757	0.2
225.16376	0.3
227.17876	1.6
229.19466	0.3
231.17410	0.7
239.17934	0.3
241.19493	0.3
243.21043	0.3
245.18887	1.5
255.21031	0.4
259.20496	0.7
267.20941	0.3
269.22705	0.2
271.20364	0.3
285.21872	0.3
291.19522	0.2
317.26477	0.2
389.31992	0.3
395.32352	0.2
407.27859	0.3
407.32947	5.3
425.33994	3.7
453.33627	2.4
471.34662	1.5
485.35846	0.4
617.38159	3.4
618.37408	0.3
680.16925	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05437	3.9
55.38959	0.6
57.06997	1.0
65.03853	1.7
67.05415	4.8
69.06966	8.0
71.66669	0.7
77.65105	0.7
79.05389	3.3
79.96503	0.7
81.06966	7.5
83.08521	1.2
91.05402	22.3
92.10181	0.8
93.06960	8.0
95.08539	14.9
95.65270	0.7
105.06979	12.5
107.08534	14.5
109.10108	13.0
117.06950	3.5
119.04894	45.7
119.08532	21.3
121.06393	1.2
121.10091	15.6
123.11674	3.2
123.97037	0.8
131.08540	7.4
133.10091	18.2
135.11653	6.3
139.90530	0.9
143.08556	1.8
145.10097	14.6
147.04382	100.0
147.11671	8.6
148.04680	1.0
149.13193	1.7
157.10101	4.0
158.10858	0.9
159.11662	13.1
161.11971	0.7
161.13220	6.4
163.11171	1.8
163.14769	4.5
172.12349	0.9
173.13219	4.6
175.14719	8.1
177.16391	3.9
183.11568	1.2
185.13220	1.3
187.14806	19.7
189.16376	8.0
191.17857	1.0
199.14755	1.3
201.16354	21.3
202.17195	0.9
203.14117	1.0
203.17914	7.6
205.15887	10.5
207.17482	0.8
213.16304	1.7
215.17906	3.6
217.15840	1.1
217.19350	0.9
219.17354	1.6
227.17938	1.5
229.19481	3.0
241.19493	1.6
247.16794	1.4
247.20943	0.8
255.20879	1.1
265.17929	1.1
287.19980	1.1
389.32074	1.3
407.24844	1.0
407.33081	6.1
435.32385	3.7
453.33459	4.4
483.66760	0.8
512.32898	0.9
541.34717	1.0
617.38391	1.4
627.16345	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05438	8.8
56.04973	9.0
56.96507	2.5
57.03362	4.7
60.04450	2.7
61.02845	3.5
67.05414	7.6
69.03345	16.2
69.06980	29.7
70.06503	70.9
71.04884	2.4
72.08062	25.9
73.02822	3.9
74.05984	3.3
79.05403	8.8
81.03312	2.2
81.06966	13.0
83.08531	10.2
84.04423	22.7
84.08056	38.9
85.02816	60.2
85.06430	2.6
85.08374	3.5
86.09618	42.4
91.05399	16.9
93.06974	16.5
94.80827	2.2
95.08514	15.9
97.02818	12.9
97.06438	2.9
97.10108	2.6
101.07113	2.5
102.05470	5.0
103.05389	2.3
105.06954	20.3
107.08525	24.2
109.02815	3.9
109.10112	18.6
110.07126	16.0
117.06950	8.9
119.08550	16.8
120.08044	15.5
121.10079	13.2
123.07995	2.4
123.11663	4.6
125.09575	10.5
127.03863	11.3
129.06956	4.3
129.10188	21.3
130.04930	2.8
131.04886	3.5
131.08546	15.0
133.10098	17.6
135.08015	4.5
135.11629	3.2
136.07541	3.1
137.05963	9.7
143.08548	15.1
143.10655	2.3
145.04935	4.6
145.10036	20.4
147.07893	2.9
147.11670	14.2
149.09563	4.4
151.11211	2.2
155.08414	2.9
157.10056	11.8
159.09212	3.0
159.11650	12.7
161.13200	4.4
167.06976	3.9
169.09991	4.9
171.11583	13.0
173.09721	2.1
173.13176	12.2
175.11165	2.7
183.11575	5.0
183.14822	2.1
185.13214	10.5
187.14804	4.2
189.12671	3.6
195.11630	2.6
197.13242	9.1
199.14719	15.0
203.14284	4.4
209.13229	2.7
211.14737	4.4
213.16374	9.7
217.15778	3.0
223.14728	2.3
225.16324	12.6
227.17824	7.5
237.02873	2.2
237.16263	4.9
239.17961	9.3
241.19458	9.6
253.19676	2.4
255.17252	3.6
255.20981	16.7
257.19028	2.6
259.20422	2.6
265.19421	18.5
271.20490	3.7
273.07230	2.9
273.21976	8.4
283.20486	70.0
284.20810	2.6
301.21497	65.6
319.22571	70.9
320.22980	4.8
337.23602	100.0
338.23969	3.9
344.04434	2.2
376.69662	2.7
512.19867	2.4
643.36041	2.2
679.24994	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	679.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05437	0.9
56.04966	0.9
56.96492	0.6
60.04444	1.2
69.03350	0.9
70.06504	17.5
71.06840	0.8
72.08065	6.1
74.05989	1.4
76.02135	0.9
84.04424	5.7
84.08064	10.3
85.02805	0.8
86.09624	8.7
88.03928	0.9
91.05356	0.9
93.06971	0.7
95.08507	0.9
97.02824	0.6
101.07047	0.8
102.05465	1.3
103.05408	0.5
105.06992	1.3
107.08505	0.7
110.07098	4.7
115.08656	0.8
116.07058	0.8
117.42262	0.5
117.58923	0.5
119.08565	0.6
120.08065	3.5
121.10037	0.5
127.03658	2.4
129.10173	5.3
131.04877	1.0
133.02832	0.6
133.06497	0.7
136.07547	1.2
137.05962	5.7
141.10237	0.8
159.04141	7.4
161.05988	2.6
163.07434	0.6
191.14285	1.0
237.02853	0.7
317.08423	4.6
369.12927	0.9
385.16348	1.3
547.21075	1.0
679.25568	100.0
680.25867	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	679.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15115	0.2
56.04971	0.3
57.03370	0.4
59.55568	0.2
60.04474	0.4
65.01582	0.2
68.04924	0.3
69.03352	1.2
70.06511	32.2
71.06851	0.8
71.65145	0.2
72.08073	2.0
73.02844	0.9
74.06017	0.3
75.33009	0.2
81.03420	0.2
84.04426	2.6
84.08068	2.7
84.95966	1.0
85.02832	1.1
86.09626	2.2
88.03919	0.4
91.05407	1.4
92.10309	0.3
92.58166	0.3
92.63976	0.2
93.06974	1.2
95.04886	0.4
97.02839	1.1
98.97523	1.3
102.05474	0.5
103.05399	5.1
110.07108	2.9
114.05477	0.4
116.07042	80.8
116.98585	1.1
117.07375	0.4
118.00756	0.2
119.04893	1.1
120.08057	100.0
121.08392	1.8
128.98552	1.1
129.10201	1.6
131.04884	6.4
132.05238	0.3
134.99643	1.1
136.07597	0.3
137.05975	0.9
144.98099	0.2
146.99638	1.1
148.05145	0.4
151.07516	0.5
156.07678	0.5
157.06305	0.3
158.99638	1.1
161.05965	0.4
162.99126	0.9
163.07524	1.9
166.06142	0.2
167.08075	0.3
173.01187	0.3
175.07530	0.3
177.00662	1.8
181.06133	0.4
189.00681	0.3
193.04929	1.9
205.00151	0.3
209.04366	1.1
211.55374	0.2
217.08041	0.4
219.01843	0.3
222.01927	0.3
228.06435	3.0
237.02693	0.4
237.06985	0.9
240.02913	1.4
248.57666	0.4
249.07675	0.3
255.05309	0.5
255.25327	0.2
258.04108	0.8
263.13843	40.4
264.14102	1.2
273.06354	1.0
311.07785	0.3
315.05716	0.2
324.08536	2.0
324.58688	0.4
440.14087	0.3
471.13245	3.7
471.63358	2.6
565.69269	0.3
619.21075	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	2.1
55.05448	24.7
57.03382	7.5
57.07013	12.2
61.02857	33.5
64.33704	0.9
65.03868	1.2
67.05427	89.7
68.05738	1.1
68.92077	0.8
69.03336	3.7
69.06989	29.2
71.04910	2.0
71.08542	4.1
73.02825	14.6
79.05405	26.5
81.03342	1.1
81.06973	100.0
82.07304	1.4
82.40830	0.8
83.04899	1.2
83.08535	18.3
83.08997	0.9
85.02827	28.1
85.06474	2.1
85.10101	1.8
91.03872	25.8
91.05404	17.3
92.10292	1.7
93.06965	30.5
95.04882	1.2
95.08531	97.7
96.08870	1.2
97.02820	14.6
97.06464	7.8
97.10114	10.2
99.08022	4.2
105.06975	11.9
107.08533	16.2
109.02827	0.9
109.06384	1.1
109.10104	41.0
111.08023	3.7
111.11675	1.9
113.09604	1.2
119.08508	14.5
121.10102	22.7
123.11646	18.0
125.09557	0.9
127.03893	6.2
127.11118	1.4
133.10078	15.1
135.11653	11.5
137.09618	1.7
137.13203	5.9
141.12773	1.5
145.04935	9.5
147.11629	10.6
149.13223	9.1
151.14816	4.4
155.14279	1.6
158.23483	0.9
161.13206	13.5
163.05994	9.4
163.14738	8.8
165.12625	0.9
165.16347	5.1
175.14766	7.0
177.16306	1.2
179.17967	5.8
189.16364	4.0
245.22595	44.1
263.23645	63.0
264.23874	1.2
337.27289	30.9
355.28250	4.6
386.12347	1.1
499.32562	2.0
532.53021	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	23.0
57.03372	5.3
57.07015	15.7
61.02847	16.0
67.05431	100.0
67.28606	3.7
69.06975	26.0
73.02821	5.7
79.05408	23.8
81.06971	97.4
83.08531	23.2
83.32396	4.0
85.02838	24.1
91.03898	16.2
91.05376	18.9
92.10240	8.8
93.06961	29.2
95.08537	83.0
97.02811	4.6
97.06465	4.7
97.10120	4.9
103.03909	4.8
105.06956	14.9
107.08521	21.2
107.33558	3.9
109.06472	4.8
109.10099	36.3
118.74594	4.8
119.08523	8.9
121.10087	20.1
123.11668	15.9
133.10094	16.7
135.11678	7.6
145.10143	4.1
147.04356	8.8
147.11691	5.0
149.13263	5.6
161.13162	6.7
163.14813	6.6
168.47266	4.2
175.14743	5.7
232.41162	3.7
245.22595	30.9
263.23618	44.4
319.31137	5.4
337.27252	39.9
612.48511	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	679.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82795	0.7
61.25544	0.6
67.05434	1.1
75.00187	0.7
79.05407	1.0
81.06945	0.8
113.42854	0.8
125.95918	0.7
128.62558	0.7
150.12859	0.8
163.11105	0.9
167.74934	0.7
192.43924	0.7
198.59323	0.9
218.23434	0.9
219.17480	4.8
233.84744	0.8
268.06491	0.8
386.26254	0.8
679.41669	100.0
680.41949	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	679.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94141	0.1
53.03873	0.2
54.85977	0.1
55.05450	20.0
56.04968	0.1
56.05772	0.1
57.07016	1.1
58.06520	0.2
60.50841	0.1
64.66914	0.1
67.05428	1.1
69.06980	1.2
70.06506	2.5
71.97340	0.1
79.05395	0.2
80.62985	0.1
81.06979	0.9
82.05997	0.1
82.06496	5.0
83.04906	2.2
83.08538	18.0
84.08073	1.4
85.06467	1.4
91.05390	0.2
93.06965	0.2
94.06482	0.2
95.04893	0.1
96.08048	0.5
97.06453	0.4
98.09624	2.8
100.07548	8.3
100.11186	100.0
101.05895	0.1
101.11530	0.9
105.07036	0.1
107.08510	0.2
108.08051	0.1
109.06456	0.1
110.05991	3.8
111.04390	12.0
112.07549	3.7
112.11170	0.8
117.13852	1.5
119.08555	0.1
124.07541	0.1
126.09106	3.1
127.08631	2.8
128.07033	9.2
129.05435	0.6
139.08635	6.2
140.07034	4.0
142.08594	0.1
147.11647	0.9
149.13170	0.2
150.12799	0.2
153.12747	0.2
157.09831	0.1
158.08200	0.1
164.14363	1.2
166.15891	1.3
168.13783	0.6
174.12769	0.2
175.11147	0.4
182.15369	41.0
183.15738	0.6
192.13806	1.9
199.21574	0.2
209.16457	31.5
210.14859	42.4
211.15196	1.2
226.19089	7.0
227.17491	3.8
227.19432	0.3
228.15910	3.8
228.18147	0.2
245.18597	0.5
306.97522	0.1
308.23508	0.2
308.26797	1.1
309.25247	1.9
325.29596	0.2
326.27963	6.6
327.28619	0.1
335.24234	0.7
336.22745	3.6
337.21057	1.1
343.30612	2.7
417.31940	0.2
418.31876	0.1
434.34653	0.2
435.33307	1.6
436.31830	0.7
452.35913	2.8
452.41849	0.2
453.34061	1.7
454.32980	0.1
534.43646	0.7
552.44727	1.3
562.39453	0.2
661.50000	7.6
662.49921	0.4
679.51013	79.6
680.51263	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	680.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06997	1.1
59.06055	53.2
60.05576	100.0
60.08089	11.0
74.36758	0.5
76.55895	0.6
88.37213	0.5
92.10945	1.7
93.06954	0.5
121.09912	0.5
167.36072	0.5
223.05159	0.8
261.32935	0.8
296.39587	0.7
327.07617	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47454	0.5
51.80792	0.6
53.00256	0.7
57.07012	60.6
67.05430	0.5
70.66598	0.6
81.82560	0.7
88.00481	0.7
91.05397	6.1
105.06992	1.6
132.54437	0.7
147.11682	7.1
153.06946	1.5
164.15573	0.7
184.64285	0.7
233.03572	1.6
251.04619	15.5
262.25177	1.2
279.67297	0.7
280.50284	0.6
307.10770	1.0
327.07730	100.0
328.08075	6.8
383.13965	47.4
384.14438	1.6
439.20215	73.3
440.20505	7.0
495.26498	67.8
496.26968	7.1
551.32690	23.2
552.33154	1.3
607.38995	52.1
608.39380	8.9
619.65967	0.6
663.45270	52.5
664.45386	6.8
706.92810	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05448	33.9
56.04987	1.7
57.07020	1.4
59.38458	1.3
69.06980	3.1
70.06503	19.0
72.08073	3.1
79.05422	1.6
81.06982	5.4
82.06496	6.5
83.04913	2.4
83.08539	20.3
84.04417	1.7
84.08073	11.0
85.02834	1.9
85.06484	2.0
86.09636	9.1
91.24356	1.4
93.06991	6.9
95.08543	3.6
98.09638	3.5
98.87556	1.7
100.07560	10.4
100.11185	93.4
105.06980	6.4
107.08543	6.2
109.10091	1.8
110.06001	2.1
110.07098	2.7
111.04375	15.8
112.07548	5.5
116.07044	2.2
119.08575	6.2
120.08084	5.6
121.10132	2.3
123.04375	1.5
125.09575	2.3
126.09116	2.4
127.08675	2.1
128.07065	16.8
129.05434	1.6
129.10205	2.9
131.08553	3.2
133.10115	6.1
139.08688	5.8
140.07066	5.8
143.26570	1.3
145.10136	3.6
147.11713	2.8
149.13234	1.5
155.08434	1.5
159.11636	2.7
161.13170	1.7
171.11641	3.1
173.13220	9.0
178.72121	1.4
182.12929	1.7
182.15359	53.6
182.16853	2.3
185.13242	2.8
187.14783	3.0
197.13379	2.0
199.14894	2.3
200.16492	2.1
201.16405	2.1
209.16452	29.2
210.14862	59.8
211.15150	2.3
226.19154	2.1
227.17595	3.0
228.15953	7.5
231.13899	1.6
261.96182	1.6
307.67120	1.7
326.28189	1.9
337.21255	2.4
344.29501	1.9
437.30856	2.0
465.30276	3.4
483.30939	5.8
662.48340	7.9
680.49536	100.0
681.50165	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	680.5452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	80.0
57.07000	65.4
67.05424	74.3
69.96458	39.5
78.54077	41.2
79.05428	69.0
81.06966	76.4
91.05366	50.4
93.06982	62.7
95.08572	69.2
121.10123	53.4
189.73383	44.4
281.97675	56.8
297.93106	44.5
327.07776	83.7
383.13916	80.8
439.20193	64.8
531.40479	100.0
591.73694	59.8
607.38403	58.8
663.46008	56.7
680.50433	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	681.3847
Annotation	Tenuifolin
Peak:m/z	Relative Intensity
52.93866	1.9
53.03893	2.0
55.05446	17.5
56.04976	5.1
57.07025	3.0
59.04930	2.0
66.12993	2.0
67.05419	15.7
69.03355	4.6
69.06985	14.7
70.06504	52.3
72.08074	21.0
79.05415	17.0
81.06971	42.4
83.04907	5.5
83.08521	8.6
84.04416	20.0
84.08070	28.5
84.23714	2.3
85.02831	16.7
86.09621	31.3
88.03889	2.2
91.05408	27.3
93.06969	47.2
95.04897	4.3
95.08527	43.7
97.06461	2.8
97.10100	2.9
99.04321	2.3
100.11189	14.2
101.11539	2.8
102.05449	5.2
103.05370	3.4
105.06967	66.0
107.08539	96.5
109.06471	8.1
109.10117	31.5
110.07126	12.2
111.07997	3.7
117.06962	4.4
119.07750	4.2
119.08537	62.6
120.08060	14.4
121.06492	3.0
121.10100	41.9
122.10380	2.1
123.08027	3.5
123.11660	13.0
125.09579	33.9
128.07024	2.6
129.06981	4.8
129.10208	14.8
131.08536	46.3
133.10092	50.3
135.07921	3.1
135.11673	23.7
137.05978	5.2
137.09625	4.7
141.10139	2.4
142.07751	2.9
143.08507	25.4
145.10092	48.7
147.11661	29.0
149.05994	3.1
149.09644	3.2
149.13237	5.5
151.11197	3.9
155.08517	9.5
156.09293	9.3
157.10098	38.3
158.10924	2.6
159.11667	76.8
160.09465	2.4
160.12038	3.5
161.09596	2.5
161.13231	26.0
163.07471	2.6
163.14803	3.8
169.10132	4.9
171.11647	48.0
172.12306	3.3
173.13210	100.0
175.14755	30.3
177.16347	5.4
179.14391	2.5
181.10013	3.1
182.15405	5.4
183.11705	15.4
184.12378	3.4
185.13222	61.5
187.14810	42.4
189.16283	18.3
191.18001	3.4
193.12109	2.8
195.11787	4.2
197.13261	22.6
199.14781	46.7
201.16339	35.1
205.15877	12.1
209.13200	3.5
209.16479	3.8
211.14926	4.8
213.16243	16.7
215.17870	4.1
217.15918	9.7
219.13782	33.5
219.17372	14.4
225.16377	13.0
227.17857	4.1
231.13771	35.1
231.17278	3.6
233.15224	2.7
239.17848	5.5
243.13623	2.8
245.15318	23.8
251.17886	5.1
253.19379	4.0
259.16879	5.1
263.18027	2.6
271.16870	3.3
277.14304	3.7
285.18451	2.8
307.46460	2.7
371.22067	3.2
373.28754	5.1
391.29837	26.1
393.31119	4.9
419.29227	20.7
437.30402	57.7
446.08029	2.6
453.29938	3.2
465.29974	41.0
466.29767	2.7
483.30923	57.7
503.33212	11.9
600.63611	2.7
604.45813	3.8
680.50970	21.4
681.51105	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	681.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05449	66.8
56.62000	3.3
57.03363	16.8
57.07003	29.2
58.76937	2.7
61.02859	30.7
61.03122	3.6
67.05426	64.3
69.06982	93.5
71.04884	2.9
71.08533	17.2
73.02813	14.0
79.05402	30.4
81.06968	72.0
83.08535	85.9
85.02833	27.7
85.10087	5.4
91.03871	21.9
93.06951	41.8
94.81001	3.1
95.08523	69.0
97.02810	8.0
97.06477	7.9
97.10101	47.6
103.84162	3.7
107.08527	37.9
107.84226	3.4
109.10110	37.5
111.07995	11.0
111.11669	7.0
121.10088	65.7
123.11650	7.5
127.03854	3.4
135.11627	43.5
145.04884	4.0
149.13223	16.5
163.05925	6.8
164.97914	3.7
189.59157	3.2
198.89917	3.3
247.24162	35.9
265.25156	80.4
283.26242	8.1
339.28867	100.0
357.29724	33.8
495.25415	4.4
582.87744	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	681.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00249	2.0
53.03888	1.3
54.00403	0.8
55.01814	1.3
55.05448	66.5
56.69920	0.9
57.03372	14.7
57.06734	1.3
57.07009	30.8
61.02855	54.5
61.03172	1.7
65.03841	1.1
67.05425	79.9
67.97698	1.0
69.03349	8.3
69.03651	0.9
69.06985	100.0
71.04903	4.8
71.08546	17.0
73.02826	23.5
75.04415	3.4
79.05404	36.9
79.24300	0.9
81.03318	1.0
81.06972	86.9
82.07285	1.1
83.04894	1.8
83.08534	75.4
85.02823	54.8
85.06470	4.3
85.10096	9.2
91.03874	44.3
91.05371	4.2
92.10208	1.1
93.06970	48.3
95.04901	1.4
95.08528	84.9
97.02815	16.6
97.06460	15.2
97.10101	44.7
99.04395	3.7
99.08000	1.6
107.08530	34.7
107.09203	1.8
109.02846	1.5
109.10098	43.4
109.10857	1.4
111.07991	7.1
111.11678	13.9
115.03878	1.4
121.10091	69.0
122.45768	0.9
123.11652	14.3
125.09586	4.1
125.13246	1.5
126.13751	0.9
127.03870	12.9
135.11656	56.0
137.13217	5.7
139.11145	5.5
145.04919	11.0
149.13237	23.0
151.14792	5.2
153.12764	3.5
163.05980	17.5
163.14711	8.2
165.16348	4.2
167.14323	1.5
177.16365	4.6
191.17940	4.3
195.17375	1.0
205.19466	1.5
247.24133	35.6
248.24524	1.2
265.25186	86.7
266.25565	3.8
283.26138	14.8
339.28854	90.0
340.29114	1.3
357.29846	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14323	0.6
51.60754	0.6
54.51307	0.6
55.01802	1.6
55.05450	6.6
57.03359	1.8
57.06996	1.3
59.92670	0.8
60.04426	0.7
61.02844	4.9
67.05431	5.5
67.12307	0.7
69.03339	9.5
69.06982	8.5
70.06501	6.5
72.08056	1.3
73.02823	1.1
76.55874	0.8
78.16285	0.8
79.05421	5.7
81.03326	6.2
81.03728	0.7
81.06973	23.9
83.04881	0.8
83.08526	6.2
83.19856	0.8
84.04409	1.3
84.08053	5.2
84.17966	0.7
85.02823	32.2
86.09610	1.8
87.04377	1.5
91.05386	7.1
92.10265	2.2
93.06970	22.3
95.04908	1.4
95.07963	1.6
95.08530	29.0
95.09143	1.2
97.02811	11.3
97.10072	1.7
99.04397	1.0
105.06970	37.3
107.08532	37.9
108.55338	0.7
109.02782	1.9
109.10104	16.0
110.07111	1.1
117.06960	4.4
118.62032	0.7
119.08534	35.0
120.08032	1.8
120.08852	0.9
121.10100	27.4
123.08018	1.3
123.11651	8.0
127.03874	7.5
129.10199	3.1
131.07513	0.8
131.08527	27.9
133.10086	42.8
133.72528	0.8
134.10310	0.8
135.08023	1.8
135.11644	18.6
137.09583	1.8
137.13148	0.9
143.08530	5.7
144.06522	0.8
144.09314	1.2
145.04950	4.0
145.10097	43.7
146.10541	1.1
147.11659	32.5
149.05969	1.2
149.09575	2.8
149.13232	8.5
151.11166	1.3
157.10062	7.3
158.10849	3.0
159.11653	50.7
160.12057	1.1
161.13210	23.1
162.07582	1.3
163.11131	12.8
163.14735	9.9
164.11449	0.9
169.10078	4.4
171.11606	10.0
172.12366	1.2
173.13214	39.3
174.13939	0.9
175.11118	1.3
175.14774	27.9
177.12657	1.6
177.16328	25.1
179.10661	0.9
180.08594	8.0
185.13213	13.7
186.13710	1.0
187.14774	100.0
188.15157	3.3
189.16336	64.0
190.13454	3.2
190.16661	1.4
191.14198	1.5
191.17891	5.0
193.12169	5.0
197.13220	1.5
199.14778	4.7
201.16357	11.8
203.14383	1.3
203.17886	7.5
205.12108	1.6
205.15836	73.4
206.16084	1.8
207.17397	17.4
211.14583	0.9
213.16304	4.8
215.14297	3.2
215.17874	4.1
217.12032	0.8
217.15700	0.9
217.19485	1.3
219.13753	8.7
219.17419	3.7
221.15335	6.3
227.18126	0.9
231.13713	3.1
231.17316	1.9
233.12962	1.5
233.15300	45.3
234.15430	1.3
241.19460	1.0
245.15364	1.1
375.30273	4.1
393.31403	52.8
394.31628	5.0
409.30878	1.3
411.32443	9.7
421.30856	14.4
439.31949	74.6
440.32266	6.4
441.29840	1.2
449.30316	1.1
457.32962	7.0
467.31461	29.2
468.31729	1.3
485.32452	6.4
545.20819	0.9
607.08319	0.8
682.41577	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	682.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	1.0
54.23994	0.6
55.01789	1.0
55.05447	7.3
57.03373	1.3
57.07005	1.1
58.19663	0.6
58.41247	0.6
67.05430	9.2
69.03345	4.7
69.06979	10.6
70.06512	8.7
71.04890	1.3
72.08067	1.9
76.93170	0.8
79.05399	6.9
81.03344	1.1
81.06976	20.5
83.04924	1.2
83.05996	0.7
83.08530	4.0
84.04445	0.9
84.08063	4.7
85.02840	10.2
86.09627	6.3
91.05402	9.6
92.10260	1.4
93.06971	22.2
94.07309	0.9
95.04897	3.9
95.08534	36.0
95.69551	0.8
96.08879	1.0
97.02827	1.9
97.06480	4.2
100.11189	1.0
105.06976	39.8
107.08540	32.2
109.06480	5.2
109.10113	16.9
111.04387	2.9
111.08000	1.7
111.83680	0.9
113.05986	1.3
117.06961	5.3
119.08542	51.5
120.08051	3.4
120.08867	1.2
121.06490	5.0
121.10101	30.6
123.08015	10.4
123.11606	5.5
125.09566	1.8
128.06195	1.3
129.06967	3.8
129.10217	1.3
131.08534	21.0
133.10095	32.8
134.10391	0.9
135.08008	6.6
135.11679	10.9
137.05916	1.0
137.09590	4.0
137.13306	0.8
139.07497	1.1
141.06923	1.1
142.07791	3.8
143.08554	16.7
144.09320	1.3
145.10106	42.1
145.11261	1.7
146.10477	1.1
147.08005	3.4
147.11655	21.7
149.09595	10.4
149.13217	7.6
151.11169	1.1
155.08534	4.4
156.09338	4.0
157.10101	27.0
158.10783	1.9
159.11664	28.9
161.09595	4.5
161.13214	16.4
163.11183	3.1
163.14764	7.2
165.09059	12.2
167.06937	0.9
169.10146	6.4
170.10887	3.2
171.11652	20.0
173.09660	1.5
173.13222	29.8
175.11174	4.4
175.14787	30.7
175.16283	1.3
177.00700	0.7
177.12737	4.0
177.16357	4.9
179.14258	3.9
181.10078	1.1
182.10959	1.0
183.11597	6.1
184.12440	4.6
185.13225	38.3
186.13695	0.9
187.14786	38.0
188.15245	1.1
189.12732	2.8
189.16345	14.4
191.14262	5.8
193.15872	2.9
195.11693	1.7
197.13242	9.7
199.14790	34.4
200.15157	1.6
201.16350	11.4
203.14296	12.7
203.18001	1.3
205.12367	0.8
205.15843	11.4
207.17450	1.2
209.13278	1.6
211.14873	7.2
213.16310	10.8
215.14249	4.6
215.17932	3.0
217.15834	24.5
218.16061	1.4
219.13786	3.4
219.17323	1.6
221.13264	1.0
221.15308	1.5
223.14874	1.8
225.16309	3.5
227.17888	1.6
229.15916	4.5
231.17412	10.6
233.15285	5.3
235.14899	1.3
235.16760	6.8
237.16342	1.5
239.17909	1.6
241.19330	1.4
243.17111	1.1
245.15442	1.4
245.19026	4.7
247.16937	0.8
265.19702	1.2
297.22043	1.1
311.23575	0.8
325.24896	1.1
373.28857	1.0
385.28876	1.1
391.29865	4.5
393.30884	1.0
403.29855	10.8
404.30432	1.1
405.31396	3.8
409.30710	3.4
411.33057	0.8
419.29153	1.0
421.30856	11.1
423.32391	3.0
431.29260	3.6
437.30417	4.4
439.31909	7.4
449.30423	16.5
455.31363	1.0
457.33023	4.5
467.31546	8.6
485.32571	8.1
503.33575	100.0
504.34036	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	682.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03875	1.8
55.05450	5.7
57.03373	1.5
57.07014	1.8
61.02842	3.2
63.08654	1.2
64.05744	1.3
67.05426	5.3
69.03352	11.6
69.06996	12.8
70.06514	13.8
72.08042	3.1
73.02827	1.3
79.05396	8.7
79.91380	1.4
81.03333	2.2
81.06971	27.7
83.08530	7.1
84.04430	6.2
84.08057	3.2
85.02828	30.8
86.09624	9.8
87.43668	1.5
91.05395	7.6
93.06959	23.5
95.08534	27.4
97.02806	15.0
97.10123	1.4
105.06979	39.8
107.08533	40.5
109.10094	16.5
110.07125	2.9
111.08013	2.4
115.96047	1.4
117.06965	2.2
119.07777	2.2
119.08541	43.5
121.10101	32.6
123.11627	3.2
127.03880	1.9
131.08519	32.3
132.63382	1.5
133.10100	44.0
135.11659	21.7
137.13219	3.1
143.08540	6.0
145.04922	3.6
145.10109	45.7
147.11662	29.5
149.09605	1.6
149.13237	10.1
151.11168	2.6
157.10030	6.3
158.10880	1.9
159.11664	57.2
159.12999	2.4
160.12364	1.5
161.13242	21.7
163.11101	13.7
163.14790	9.6
165.09056	2.7
169.10037	2.2
171.11667	11.3
173.13213	40.6
175.14803	35.9
177.12633	2.0
177.16370	24.2
180.08615	9.6
185.13280	14.8
187.13086	3.3
187.14786	100.0
188.15117	2.8
189.16344	74.8
190.13481	5.7
191.17928	6.1
193.12151	3.5
197.13173	2.2
199.14728	3.4
201.16371	9.6
203.14343	1.9
203.17891	6.6
205.12306	2.2
205.15842	78.6
206.16232	2.2
207.13852	1.6
207.17383	20.1
213.16304	2.1
215.17928	6.3
219.13768	9.2
219.17168	2.3
221.15280	2.4
231.13760	6.3
231.17393	1.9
233.15323	48.2
375.30374	3.5
393.31439	67.8
394.31961	5.2
411.32278	9.8
421.30942	17.9
421.74390	1.7
439.31976	90.1
440.32129	7.6
457.32846	8.3
467.31555	38.4
468.31256	2.0
485.32806	10.2
503.33301	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	682.5612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05450	20.2
57.07018	21.2
62.95631	23.3
67.05443	30.0
81.06995	89.3
89.50352	20.5
93.00885	20.8
93.06971	31.1
95.08533	48.1
102.21635	22.8
160.59134	26.0
220.01396	22.4
228.03940	24.7
339.28830	31.3
493.38818	43.8
533.41669	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01809	0.7
55.05450	1.9
56.04977	1.8
58.99518	6.7
60.04456	2.1
65.03874	0.8
66.33012	0.8
67.05432	1.1
69.16069	0.9
69.31760	0.7
70.06511	31.8
72.08070	23.0
72.48862	0.9
74.06002	1.3
76.02139	45.3
76.03919	1.9
83.06038	1.6
84.04427	23.5
84.08067	11.3
84.61810	0.8
85.02815	1.7
86.05991	1.2
86.09606	7.2
86.98979	1.7
87.04398	0.9
91.05391	8.8
94.04141	1.5
95.04901	1.5
95.05997	0.9
98.05949	1.0
102.05490	7.0
103.05387	16.1
105.06963	5.2
110.07110	19.1
112.08607	1.0
114.05474	0.9
115.05465	1.2
116.01600	11.0
116.07040	1.6
117.06905	1.1
119.04897	11.0
119.08549	1.9
120.08037	4.2
121.06443	1.4
121.08437	0.9
122.03582	6.6
125.05968	1.2
128.06158	1.4
129.06956	12.2
129.10205	8.4
130.04974	8.6
131.04893	30.3
133.02821	8.8
133.06424	1.8
135.08044	1.7
136.05128	1.4
137.05952	100.0
138.06279	1.8
142.03203	5.9
142.47694	0.9
144.01102	6.8
145.06480	6.6
146.05968	2.0
147.04388	4.5
147.08038	5.1
149.05956	7.6
151.07527	17.8
153.05403	1.3
157.06415	7.3
160.05171	1.3
161.05960	3.6
162.02145	17.4
163.07510	29.9
165.05418	1.5
173.06026	1.4
175.07509	41.4
176.07932	1.1
177.09053	4.4
179.04822	14.7
179.06981	13.2
181.08585	6.4
185.05940	3.8
185.07927	0.9
187.05360	1.3
188.07028	1.5
189.07599	1.2
189.08998	8.6
191.06960	2.0
205.08557	5.8
207.10155	2.1
209.08070	2.0
215.04767	1.3
217.08578	3.9
231.07965	1.0
233.05852	6.7
235.09621	17.1
245.05966	1.2
251.10626	1.0
267.10220	1.1
279.10080	3.4
299.12906	1.8
308.09070	37.3
311.12720	5.7
323.12964	1.4
329.13791	9.8
341.13837	1.5
359.14841	1.5
639.15454	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01082	2.6
53.00230	2.9
55.05450	61.6
57.03371	16.4
57.07009	32.4
61.02852	68.0
67.05424	66.4
69.03336	4.8
69.06983	100.0
71.04916	5.6
71.08531	18.9
73.02833	25.8
75.04392	5.4
75.81435	2.8
79.05400	42.3
81.03310	3.8
81.06971	93.2
83.08527	72.6
83.08998	4.2
84.09468	2.6
85.02827	69.3
85.10109	6.2
91.03877	53.7
93.06969	50.8
95.08529	88.1
97.02821	31.7
97.06451	24.1
97.10101	43.0
107.08521	37.7
109.10114	34.3
110.61471	2.6
111.08003	15.2
111.11671	15.1
113.54150	2.8
119.21465	2.8
121.10083	88.3
123.11655	12.2
125.09630	5.5
127.03877	18.4
127.14783	3.5
135.11644	58.3
137.13237	13.6
139.11142	5.7
145.04900	17.4
149.13193	26.9
151.14763	14.5
163.05948	23.3
163.14804	12.8
172.95262	5.0
175.04889	3.0
211.77519	2.9
233.22598	44.8
251.23625	90.8
269.24683	15.8
325.27271	89.0
343.28357	99.4
504.51230	3.4
566.69958	3.2
672.79706	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	684.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48410	1.8
54.14865	2.0
55.05439	5.4
56.04957	3.8
61.02829	1.9
67.05413	11.5
69.03334	9.3
69.06977	11.5
70.02863	3.4
70.06509	22.5
71.04900	3.3
72.08054	10.8
76.56309	2.5
79.05386	9.1
81.03300	2.8
81.06973	26.9
83.08543	3.1
84.04426	45.5
84.08052	18.5
85.02831	25.5
85.04749	2.7
86.09624	83.4
87.09950	2.9
87.96788	2.0
88.03896	11.7
91.05402	33.0
92.10860	3.5
93.06966	23.7
95.04893	5.0
95.08527	34.2
97.02778	3.2
103.05371	12.0
105.03310	15.0
105.06971	38.4
107.04889	4.6
107.08544	35.3
109.06490	2.4
109.10088	16.5
110.07046	4.0
110.10423	2.4
117.06944	9.4
118.06487	63.8
119.04902	3.7
119.06726	3.2
119.07370	7.8
119.08524	42.6
120.08091	49.4
121.06426	3.1
121.08406	4.7
121.10090	20.9
123.04390	4.0
123.08028	3.3
123.11639	5.0
127.03886	2.5
129.06564	3.5
129.10153	9.4
130.04950	3.1
131.08533	22.1
133.10080	26.5
135.07983	2.8
135.11617	14.6
136.07530	11.2
137.05917	10.9
137.09520	3.7
143.08501	4.8
145.10081	40.1
146.05983	100.0
147.06325	29.7
147.11656	19.6
149.09610	2.5
149.13243	4.8
151.07469	3.4
157.10077	9.8
158.01207	3.6
159.11653	28.2
161.13197	16.3
163.14780	8.3
165.05435	8.7
165.09067	15.5
167.08459	4.1
169.10065	3.3
169.42865	2.3
171.11600	11.3
173.13202	25.2
175.11050	2.5
175.14778	29.7
177.16414	17.6
182.08044	3.8
183.11678	2.8
185.13243	19.8
187.14803	35.0
189.16322	15.4
191.14282	11.6
197.12862	21.9
198.13113	5.1
199.14775	19.4
201.16397	21.9
203.14378	18.2
203.17917	4.8
205.04747	17.8
205.12206	5.6
205.15810	35.4
205.44377	2.4
207.07983	4.3
207.17493	3.8
208.08400	3.3
211.14650	3.5
213.16298	5.7
217.15736	8.0
219.07965	3.1
219.17378	5.7
221.15221	5.1
223.07442	13.0
224.07877	4.7
225.12346	4.0
231.17410	4.4
236.10712	18.0
237.10963	10.4
246.09077	3.8
261.08621	21.1
262.08945	10.2
265.08423	5.0
277.48978	2.4
282.11038	4.1
297.10736	13.4
298.11050	3.8
393.31418	4.2
405.31360	11.7
407.33322	2.5
423.32220	15.6
425.14874	3.1
433.30408	2.9
439.31650	4.0
441.33493	4.9
442.15790	14.8
443.16202	19.3
451.32007	23.1
459.34534	4.6
469.33057	30.3
486.20587	3.9
487.34088	23.1
488.33524	3.1
505.34662	11.6
579.41437	2.7
631.37854	3.4
667.27490	12.7
685.23145	3.6
704.21857	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	684.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59478	1.5
54.73705	1.7
55.01796	1.7
55.05455	12.6
56.04961	4.2
56.96487	2.0
57.03368	3.1
60.04451	2.7
61.02844	2.4
62.86171	1.4
63.71506	1.5
67.05434	12.6
69.03347	12.9
69.06989	15.0
70.06509	100.0
71.04903	2.5
71.06841	2.8
72.08071	16.6
73.02160	1.6
73.02818	2.1
74.02332	3.4
74.06003	1.9
79.05399	17.1
81.03325	11.5
81.06972	45.9
82.37928	1.6
83.04897	9.1
83.08536	8.4
84.04412	10.4
84.08063	22.9
85.02827	35.1
85.06424	2.4
86.09629	21.9
87.05502	8.3
87.63123	1.9
88.03896	8.6
91.05400	26.9
93.06981	37.5
95.04891	7.5
95.08535	55.8
97.02813	12.1
97.06451	2.0
97.10088	2.2
102.05473	3.9
103.05376	3.8
105.06976	64.8
107.04877	6.9
107.08543	62.9
109.02810	2.2
109.06472	3.3
109.10095	25.9
110.07124	2.3
111.08026	3.4
117.06958	12.0
119.04852	2.6
119.08533	74.8
120.04472	1.6
120.08070	38.0
121.06458	4.1
121.10099	41.1
123.07994	2.3
123.11665	20.5
125.09575	3.2
127.03935	3.5
127.05024	2.2
127.09427	1.7
129.06900	3.3
129.10179	3.9
131.04857	3.4
131.08528	42.7
133.06036	14.1
133.10092	43.9
135.08040	9.5
135.11646	23.4
136.07539	23.1
137.05928	7.3
137.09595	12.0
142.07796	2.7
143.08525	17.9
145.10103	85.1
147.11664	43.6
149.09631	2.8
149.13263	14.1
157.10109	24.7
159.11656	56.3
161.09566	6.6
161.13197	32.0
163.07484	4.3
163.11099	2.4
163.14784	18.2
165.09087	59.3
166.09430	3.7
169.10069	8.1
170.10802	2.2
171.11655	16.6
173.13226	51.7
175.14793	46.8
177.12686	3.3
177.16364	25.4
179.14272	3.4
181.08614	2.6
183.11658	7.2
183.14865	8.3
185.09207	7.5
185.13226	39.1
187.14795	68.1
189.16342	33.6
191.14240	15.5
191.17917	2.5
197.13152	10.7
199.14809	30.8
201.12550	1.9
201.16368	41.4
203.14276	25.9
203.17920	9.1
205.12202	12.9
205.13974	3.4
205.15842	90.7
207.17413	7.6
210.77539	1.9
211.14763	6.9
213.08702	4.4
213.16286	17.1
215.14314	3.9
215.17830	3.8
217.13307	1.7
217.15843	13.6
219.17375	16.5
221.15273	11.0
223.14871	3.1
225.16359	3.5
227.17813	3.2
229.15776	2.5
231.17393	10.3
233.09206	2.3
233.15239	2.8
237.15944	2.1
241.19452	1.9
247.16928	2.2
265.19568	2.2
298.17343	2.2
324.14948	1.8
387.30423	3.5
389.05942	2.2
393.31683	12.7
395.32745	2.5
405.31473	22.2
411.32910	3.2
421.30884	3.1
423.32483	36.4
433.30865	3.3
439.31888	8.1
441.33414	11.7
451.32132	63.5
452.32205	2.5
459.34595	14.9
469.26785	3.1
469.33008	54.1
470.33170	2.2
487.27954	2.3
487.34195	42.9
505.34967	9.0
565.38593	2.1
575.71063	2.0
631.37848	8.1
631.71436	2.1
683.94659	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	684.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59696	1.6
55.01777	1.7
55.05447	18.5
56.04969	4.8
57.03357	2.3
57.07015	2.3
60.04451	3.0
61.02847	2.4
66.18650	1.7
67.05437	16.2
69.03329	8.8
69.06979	19.5
70.06509	51.1
71.04913	3.0
72.08059	16.3
74.05981	2.5
75.76764	1.9
76.42054	1.8
79.05396	24.1
81.03340	3.1
81.06971	70.1
82.07302	1.9
83.04886	9.5
83.06018	2.1
83.08533	8.0
84.04430	13.0
84.08068	26.0
85.02827	30.7
85.61140	1.9
86.09613	23.6
87.05512	3.1
88.03907	2.7
91.05386	24.3
92.64041	2.3
93.06971	46.8
95.04887	4.9
95.08533	71.8
97.02806	9.8
97.06401	2.4
97.10078	3.1
100.11196	2.1
105.06968	72.9
107.08537	64.4
108.17111	1.9
109.02796	2.3
109.06445	3.8
109.10113	35.1
110.07161	14.2
111.08025	4.6
112.08732	2.3
117.07002	14.6
119.08534	79.8
120.08052	12.6
121.10098	42.7
123.08037	4.3
123.11668	23.2
125.09586	12.3
127.03873	3.9
129.06990	3.9
129.10193	12.7
131.04851	2.2
131.08531	58.8
133.10086	57.9
133.11006	2.9
135.08000	3.2
135.11665	20.9
136.06133	2.2
137.05972	9.1
137.09534	1.8
137.96136	2.1
142.07722	3.0
143.08556	17.9
144.09302	3.3
145.10101	100.0
145.32692	2.1
147.11662	43.4
149.13225	12.4
151.11121	2.2
155.08318	2.0
157.10124	25.0
158.10829	2.9
158.53793	2.0
159.11658	70.7
161.09540	3.5
161.13219	33.7
163.14719	20.2
169.10048	2.9
170.10825	3.3
171.11607	22.9
173.13223	49.2
175.14775	47.8
177.12750	2.5
177.16356	28.8
179.14264	4.8
180.08699	3.4
183.11642	4.8
185.13211	37.1
187.14777	68.8
188.15225	2.3
189.12721	2.5
189.16353	27.8
191.14270	10.1
191.17847	3.1
193.15834	4.1
195.11571	2.3
197.13136	9.0
199.14778	40.3
201.16350	49.7
203.14314	24.0
203.17903	10.2
205.04485	2.1
205.15839	87.5
207.17435	2.9
209.13092	2.3
211.14871	8.2
213.16325	18.4
215.14232	2.8
215.17862	4.2
217.12199	2.1
217.15790	16.3
219.17371	21.9
221.15286	3.4
223.14883	2.8
223.17030	2.9
227.17964	3.2
229.15697	3.7
229.58238	2.2
231.17343	12.0
233.15451	3.1
245.15189	2.3
253.19321	2.7
279.24213	2.0
304.75272	2.4
339.12164	2.0
375.29965	2.4
387.30136	2.1
393.31357	11.9
395.32965	2.4
405.31396	35.8
407.32727	2.5
409.50293	2.5
421.30774	4.1
423.32440	37.9
424.32700	2.3
433.30899	4.7
439.31796	9.9
441.33408	3.1
451.32022	83.4
459.34482	4.2
469.33224	34.7
470.33115	3.6
487.34390	22.3
526.42151	2.6
657.83533	2.2
684.25494	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	684.5404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00266	1.7
53.03883	1.9
55.01802	1.7
55.05453	31.3
57.03370	16.6
57.07003	8.1
61.45322	1.1
64.18954	1.1
65.03857	2.0
65.78286	1.1
67.05427	100.0
67.20598	1.1
68.73445	1.2
69.06990	30.5
71.04902	2.5
71.08543	8.5
79.05417	26.6
81.03358	2.0
81.06973	77.5
81.07451	2.9
83.04907	5.8
83.08540	20.6
83.55424	1.5
85.06476	2.4
86.59486	1.5
87.42590	1.4
91.05396	23.7
91.75281	1.4
93.06962	34.7
95.04894	6.0
95.08528	51.4
97.06443	2.5
97.10087	15.0
99.08026	6.5
105.06956	14.0
107.08539	27.6
109.06475	2.3
109.10104	40.4
109.10780	1.6
111.08017	5.6
117.06966	3.4
119.08543	12.8
121.10052	10.4
123.11679	6.0
125.09560	7.8
131.08507	2.9
133.10121	11.0
135.11638	8.3
137.09517	2.2
137.13245	1.6
145.10036	1.9
147.11636	6.7
148.84801	1.5
149.13225	7.2
151.11191	1.9
159.11700	2.8
161.13240	5.6
173.11659	3.3
175.14764	2.4
177.12662	2.2
179.14288	1.5
189.11249	1.6
201.64334	1.4
227.12804	10.1
229.14287	17.1
263.23535	1.9
269.17328	12.7
277.21552	7.4
337.27298	45.9
338.27417	2.5
351.24918	4.3
369.26566	2.3
491.37173	15.3
514.76630	1.7
531.40436	34.9
613.47748	10.6
631.48816	8.5
657.08923	1.7
684.45245	26.9
685.46155	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79832	0.6
83.96859	0.8
89.37900	0.8
91.05698	1.0
97.02242	0.8
137.97972	0.7
188.89337	0.8
223.37268	0.8
365.38971	0.8
390.61276	1.0
406.36035	1.0
539.56836	0.9
639.88184	1.0
685.43439	100.0
686.43854	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	686.432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00242	0.9
55.01815	0.7
55.05457	11.4
57.03372	8.2
57.07014	78.4
59.11340	0.7
60.62653	0.7
61.02567	1.1
61.02859	28.3
62.14394	0.7
67.05084	0.9
67.05431	16.5
69.03339	3.6
69.06989	12.4
71.08546	52.7
72.08871	0.9
73.02831	12.3
73.59336	0.7
75.04385	1.5
79.05404	1.2
81.03329	1.5
81.06975	24.9
83.08535	15.5
85.02339	1.4
85.02829	30.6
85.06480	0.8
85.10105	33.4
89.05939	0.9
91.03882	24.2
92.10936	0.7
93.06979	1.3
95.08537	38.1
97.02827	12.5
97.10107	11.7
99.11636	0.8
107.08534	0.9
109.06469	0.7
109.10112	17.7
111.11651	2.9
115.03880	1.3
123.11682	7.9
127.03863	4.8
135.11639	0.7
137.13242	1.6
145.04953	9.2
149.02313	1.2
163.05986	8.1
193.04932	3.8
237.07710	0.8
253.25208	20.0
268.14056	0.8
271.26270	5.3
284.29431	1.1
327.28870	100.0
328.29202	6.3
345.25848	1.6
345.29962	41.4
346.30350	1.5
385.09061	1.8
429.11697	1.1
548.94501	1.1
686.38428	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	686.5406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00237	2.0
55.05456	9.1
57.03362	1.5
57.06737	2.2
57.07007	52.8
59.04933	1.0
61.02843	1.2
64.36288	1.0
65.33498	1.1
65.69733	0.9
67.05430	9.5
69.06986	8.9
71.08543	47.5
72.37439	1.1
73.06464	11.2
79.05409	4.4
81.06963	8.6
83.04900	1.4
83.08533	6.7
85.10108	21.7
87.04392	8.5
89.05947	100.0
91.05378	2.3
93.06966	1.6
95.08510	6.0
97.10088	5.8
105.06940	1.9
107.04887	11.7
107.06985	6.6
107.08540	1.5
117.09078	2.9
119.08532	2.2
131.07106	1.3
133.08562	35.5
136.06140	5.8
147.11635	1.6
149.05975	2.6
160.18428	1.3
161.11707	2.3
163.11082	6.4
177.11189	18.1
186.27811	1.2
203.14212	1.2
211.24167	1.4
219.17392	6.9
221.13756	1.8
227.57834	1.3
279.12314	8.8
283.17218	1.4
286.18942	1.3
299.29318	5.9
337.27155	1.4
343.32278	3.7
369.06299	1.4
408.81055	1.3
445.18195	5.2
459.27673	2.5
501.24466	1.4
554.24158	1.4
669.51062	11.9
686.45355	14.2
687.47632	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	687.371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29977	1.1
54.16466	1.1
54.81631	1.2
57.49532	1.1
60.04418	1.5
60.22338	1.1
70.06509	7.9
70.58663	1.3
72.08086	3.0
76.56195	1.3
84.08063	5.2
86.09641	5.5
91.05396	1.3
103.05428	1.3
110.07102	1.5
185.04205	2.6
481.32806	7.1
525.31641	15.6
687.36987	100.0
688.37244	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	687.4815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	3.7
57.07006	2.7
67.05422	8.3
67.73044	1.5
69.06989	2.6
71.08547	2.5
72.41079	1.4
76.56836	1.5
79.05425	3.4
81.06985	9.0
83.08559	1.8
93.06959	3.4
95.08543	3.2
95.60210	1.5
152.84082	1.7
155.19228	1.8
349.19907	10.3
472.85364	1.8
521.16602	1.7
575.50488	2.2
686.46667	2.1
687.47711	100.0
688.48254	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	688.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02319	0.3
53.03904	0.2
55.01810	3.6
57.03369	1.4
59.04928	0.3
64.33082	0.2
65.03858	0.3
69.03344	4.7
69.04848	0.2
70.06500	1.1
72.08085	0.5
72.71289	0.2
72.99198	0.1
77.03835	0.4
79.05419	1.8
81.47542	0.2
84.04383	0.5
84.08070	0.7
85.02821	4.2
86.09635	0.3
87.04404	2.2
89.03834	0.2
91.05402	9.9
93.06940	0.2
94.04122	0.3
95.04884	1.3
96.44002	0.2
97.02824	2.6
103.05399	42.8
104.05750	0.4
105.03310	0.9
105.04449	0.2
105.06969	17.5
106.07294	0.3
107.04884	1.2
109.06471	0.7
110.07146	0.2
115.03856	2.2
115.05382	4.0
118.04099	0.4
119.04888	18.6
119.08472	0.2
120.08083	0.2
121.06455	0.4
122.03579	1.5
123.04369	0.4
127.03894	0.3
128.06145	0.2
129.06934	0.8
129.10153	0.2
131.04889	100.0
132.05107	1.6
133.02812	25.5
133.04965	1.8
133.06447	16.5
133.07509	0.3
134.03098	0.3
136.05186	0.3
137.05943	25.8
138.06320	0.3
143.04962	0.3
143.05960	1.6
144.05592	0.2
146.03606	1.1
146.07224	0.9
147.04381	17.4
147.08020	1.0
149.05945	2.7
150.06714	0.2
151.07510	6.0
156.05614	0.2
159.04442	0.3
159.08041	2.1
160.05170	0.8
161.05939	31.8
162.06474	0.3
163.07501	21.6
164.07867	0.4
165.05438	5.2
170.06038	0.2
172.05145	2.0
174.06627	0.2
175.07484	4.9
176.07825	0.2
177.05434	2.1
179.06985	30.0
180.07391	0.8
187.07500	7.0
189.08949	0.3
190.07677	0.3
191.06995	0.3
191.08536	1.5
194.07205	0.2
195.15134	0.2
199.07524	0.7
217.08524	1.1
219.08038	2.3
220.08669	0.2
221.05794	0.2
231.07997	0.6
236.08340	0.2
247.07497	0.8
248.08296	0.3
251.10611	3.0
253.08463	0.2
259.07480	0.7
264.07755	0.2
267.74161	0.2
279.10101	2.0
291.10068	1.7
311.12714	7.6
323.12674	0.9
341.13687	1.3
397.73376	0.2
418.73767	0.2
447.78397	0.2
558.47772	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01804	1.4
55.05433	0.3
55.38931	0.3
56.04964	0.8
60.04450	0.3
68.04947	0.4
69.03335	0.3
70.06511	38.5
71.06837	0.4
72.08071	3.6
74.05981	0.6
84.04421	3.3
84.08070	5.4
85.08392	0.3
86.09632	4.6
87.09946	0.3
91.05399	0.5
92.10886	0.7
95.08517	2.5
98.05971	0.4
102.05482	1.6
104.15639	0.3
110.07116	1.8
114.05483	21.3
115.05426	1.5
116.07044	18.0
117.05681	1.7
118.06473	0.6
120.08053	0.3
123.08015	0.5
125.07061	5.7
127.08627	0.3
129.10194	2.7
130.06493	17.4
131.06758	0.3
132.08058	38.6
133.08391	0.6
136.07515	0.6
137.05986	1.3
142.06499	3.3
144.08064	15.7
146.60132	0.3
148.06047	0.4
159.09151	100.0
160.07576	4.1
160.09488	2.0
167.07007	0.7
169.27849	0.3
170.05975	25.2
171.07576	3.9
172.07533	4.1
175.07466	0.4
183.74780	0.4
187.07356	0.5
188.06982	0.7
207.13696	0.5
239.11679	1.3
243.11288	0.6
257.12857	3.1
285.12289	37.0
286.12491	0.6
302.14935	42.7
303.15268	1.5
380.18002	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07022	6.2
57.07239	0.7
58.06516	0.7
60.64767	0.8
63.49961	0.6
69.32294	0.6
70.06509	7.5
71.08540	3.8
88.07555	11.7
102.09097	1.2
106.08616	6.8
114.36437	0.8
117.90926	0.6
119.08501	0.7
145.61253	0.7
166.43474	0.7
212.23695	12.4
256.26166	6.1
274.27353	100.0
275.27859	3.2
330.01056	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66658	2.4
55.05447	11.5
56.04966	12.3
57.29595	2.5
60.05578	4.5
60.16041	2.4
60.23177	2.8
61.01081	6.9
64.04737	2.8
70.06507	100.0
71.06841	3.5
72.08064	28.0
74.05967	4.6
75.13237	2.7
81.06955	3.2
81.84805	2.8
84.04430	12.8
84.08067	45.1
86.09624	72.3
88.03910	11.4
91.05431	4.5
98.05983	6.3
102.05467	6.1
103.05401	4.8
104.05251	24.3
110.07136	7.1
112.08671	7.4
113.07117	5.2
115.08637	6.6
120.08038	33.0
129.10207	19.8
136.07541	4.9
137.05956	22.2
146.06340	17.4
151.03923	3.8
151.07574	4.8
158.09229	3.8
161.05905	3.2
165.09105	6.0
174.05779	12.4
175.07416	4.4
175.11891	12.5
191.45749	3.0
201.12306	14.2
210.62190	3.1
228.17044	3.8
271.17554	5.3
288.20233	21.1
289.08478	4.1
353.20468	3.2
356.00378	3.1
401.28552	16.0
461.97617	3.1
539.50604	3.0
576.28003	4.3
689.36145	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	1.1
57.07006	2.9
58.89125	1.0
67.05437	2.7
69.06993	5.2
71.08554	2.1
75.53246	1.0
79.05409	1.4
80.68740	1.4
81.06985	5.3
81.28258	1.1
89.05976	2.1
93.06966	1.9
95.08529	1.8
97.10123	1.5
101.28545	1.2
102.91720	1.3
107.63449	1.2
127.93541	1.5
139.18794	1.2
146.96695	1.4
149.43153	1.2
161.27496	1.2
181.12479	1.2
186.47614	1.3
216.58200	1.3
351.21225	9.4
407.24185	1.7
688.48578	7.4
689.49475	100.0
690.49677	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	690.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26358	0.5
53.00244	1.0
54.82178	0.6
55.01798	3.2
55.05439	0.5
56.04957	1.2
57.03368	9.9
59.04922	1.1
59.17726	0.5
61.02852	6.8
61.29393	0.5
69.03348	37.0
70.06506	16.9
71.01276	0.5
71.04903	0.7
71.06831	0.7
71.30389	0.5
72.08070	5.1
73.02827	2.4
74.05977	0.8
75.04370	3.0
79.05395	3.6
81.03325	5.7
81.06956	0.8
84.03992	0.5
84.04400	4.4
84.08057	8.0
85.02821	24.1
86.09633	5.1
87.04386	13.2
91.03867	3.2
91.05391	10.5
93.06938	1.3
95.04879	2.6
97.02815	21.7
99.04369	2.5
101.54663	0.5
103.05392	16.0
105.06966	18.0
107.04891	15.3
109.02828	0.8
109.06458	0.8
110.07102	2.2
111.04377	2.2
115.03878	12.2
115.05396	4.5
117.06947	1.3
119.04889	12.7
120.08070	1.1
121.06443	6.5
122.03588	3.2
123.04385	1.3
127.03869	2.6
128.06160	1.0
129.06958	4.6
129.10150	4.1
131.04889	35.2
131.08517	0.7
133.02782	4.5
133.04965	7.3
133.06450	25.4
134.06784	0.5
135.04370	1.1
135.08011	5.0
136.07513	2.9
137.05943	100.0
138.06284	0.8
138.85965	0.5
141.06908	1.2
141.10240	0.5
142.22296	0.6
143.04877	4.3
144.05591	0.9
145.04930	2.8
145.06519	3.9
146.07225	2.2
147.04391	15.6
147.07965	2.4
147.51151	0.5
148.05104	2.1
149.05942	17.6
150.06702	1.1
150.66243	0.5
151.03864	2.5
151.07504	18.3
157.05049	0.7
157.06410	6.2
159.04369	17.4
159.08012	1.2
160.05235	4.3
161.05937	44.7
161.09581	10.1
162.06760	5.0
163.07492	52.5
164.07863	2.3
165.05408	0.9
165.06944	0.7
165.09073	11.9
167.06982	2.1
167.08374	0.9
169.06415	2.2
170.07213	0.6
171.07910	0.8
173.05991	1.1
174.06686	3.0
175.07510	25.6
176.04672	4.9
177.05429	14.3
177.09024	3.7
178.06058	0.7
179.07014	6.6
181.06255	0.7
181.08528	4.6
183.10115	10.0
183.14807	1.1
185.05928	2.8
187.07527	4.9
189.09068	30.1
191.06982	34.8
192.07318	1.2
193.08543	2.8
195.08046	1.2
195.10089	0.6
197.05911	0.9
199.07506	1.2
201.09052	3.6
203.06952	7.7
205.08546	1.1
207.10112	24.1
208.10591	1.1
209.09592	0.8
211.07440	0.7
211.14381	0.8
215.06935	2.4
217.08525	5.6
219.10051	2.3
221.06013	1.1
221.07933	8.8
221.11380	0.7
223.07460	0.9
225.09125	0.9
227.07053	1.1
227.10573	3.5
229.08557	1.2
231.10092	1.0
233.08028	4.4
245.08017	3.3
247.09540	1.3
249.08905	0.8
253.08472	2.2
253.12039	2.2
255.10167	4.6
257.07947	1.3
263.09055	3.3
265.08469	1.1
267.09933	0.8
269.07999	0.8
273.11136	0.8
275.09039	1.2
277.08673	0.6
281.09888	5.7
284.10132	0.6
285.11087	3.6
286.17346	0.7
287.12689	6.2
291.12085	2.9
293.10059	13.3
297.11121	2.1
303.12039	1.0
311.11325	3.4
313.14316	4.2
325.14139	1.1
331.15292	21.0
332.15564	1.2
343.15585	4.9
383.22711	3.0
409.65671	0.6
427.17654	0.8
455.15140	0.6
610.67767	0.7
690.82813	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45793	1.7
54.33406	1.6
55.05442	24.9
55.93753	1.8
57.03138	2.0
57.03370	20.3
57.07010	8.7
57.22336	2.3
57.35789	1.8
59.04922	2.2
60.27967	2.1
61.02842	8.5
64.32960	2.1
67.05424	100.0
68.05782	2.5
69.06978	20.8
71.04918	2.9
71.08556	2.6
76.55638	2.3
77.20645	2.0
79.05411	5.5
81.06657	1.7
81.06989	28.0
83.08535	28.7
85.02811	5.1
85.06438	3.2
85.31406	1.8
91.05391	3.0
93.06973	14.5
95.08527	25.8
97.02792	2.6
97.10091	13.0
107.08543	4.3
107.89022	2.0
109.10096	81.9
111.08006	2.9
111.11656	2.1
119.08493	4.3
121.10111	8.5
135.11685	4.9
137.09546	2.7
155.10606	4.1
165.10529	2.8
173.11707	16.5
215.72270	2.1
215.75064	2.3
229.14281	68.9
339.28842	50.5
340.29050	2.6
356.33368	2.4
433.03650	3.0
493.38748	37.0
494.38986	4.4
653.61981	2.8
690.49060	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	690.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05456	23.3
57.03374	17.6
57.07011	15.9
59.04934	2.8
61.02841	4.3
67.05074	3.3
67.05431	100.0
68.08939	1.5
69.06715	1.7
69.06995	28.9
71.08540	3.2
72.58990	1.6
77.75794	2.0
77.85028	1.7
78.25514	1.7
79.05418	10.5
79.44617	1.4
81.06973	24.3
81.81088	1.7
83.08534	25.3
84.08858	1.9
85.02811	8.4
85.06422	1.9
89.61995	1.7
91.05415	8.0
93.06974	12.2
95.08532	26.8
97.02811	2.5
97.10087	13.0
99.44488	1.6
103.25485	1.7
107.08517	3.8
109.10108	80.9
109.10861	2.9
111.08037	2.5
111.11642	2.1
115.99683	1.8
119.08561	4.1
121.10099	11.2
135.11653	9.4
137.13351	1.7
149.20969	1.8
154.54135	1.7
173.11699	23.0
229.14322	52.0
235.18550	1.8
293.70020	2.1
301.03616	1.8
339.24792	2.5
339.28870	59.3
340.28934	2.2
368.26859	1.9
493.38791	73.4
494.38528	3.2
575.49921	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	691.3864
Annotation	11-Demethylconoduramine
Peak:m/z	Relative Intensity
52.05584	1.0
54.75153	1.0
67.05405	1.2
68.92340	1.0
88.55755	1.2
92.64842	1.3
132.06651	1.3
147.04422	6.1
168.80737	1.1
257.35336	1.3
300.84497	1.2
529.33319	28.2
566.60931	1.4
691.38580	100.0
692.38928	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	691.4201
Annotation	Quadrigemine A
Peak:m/z	Relative Intensity
52.51996	1.1
53.46381	1.0
55.05441	2.1
60.16781	1.1
67.05423	3.0
69.06969	2.0
75.74602	1.2
76.40039	1.1
76.99969	1.1
79.05402	1.8
81.06946	2.0
82.71481	1.1
89.03841	15.2
93.06985	1.9
95.08530	7.2
105.06963	2.5
107.08523	5.9
109.10084	2.8
117.03328	42.8
119.08523	6.9
119.67248	1.3
121.10104	6.5
123.11664	2.3
133.10081	4.8
134.03600	2.4
135.04437	1.5
135.11646	2.5
140.04161	1.4
145.02826	96.6
145.10051	1.8
147.11610	1.7
149.05988	15.7
159.11685	2.0
163.14781	1.7
171.83870	1.2
177.05431	100.0
177.16330	1.3
178.05814	3.1
186.05533	1.4
187.14752	4.8
189.16327	2.3
192.45137	1.1
203.17928	2.1
210.28447	1.3
229.19472	2.2
241.19408	1.4
253.81670	1.4
391.33566	5.0
409.34213	4.9
469.36523	2.2
582.92993	1.6
636.71130	1.3
668.98407	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.511
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68130	2.3
55.05449	2.6
67.05422	2.6
77.61160	2.4
81.06989	3.4
92.10882	8.2
106.85680	2.9
112.35611	2.7
140.77606	2.2
181.26152	2.6
216.89934	2.5
222.53192	2.7
342.52130	2.8
343.01678	2.6
353.22726	6.4
355.58243	3.0
691.39905	3.9
691.51001	100.0
692.50592	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	693.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37600	0.3
53.30465	0.2
55.05436	0.6
56.04963	0.7
58.32795	0.3
62.66855	0.3
70.06506	8.3
71.17906	0.3
72.08060	3.8
72.90219	0.3
73.08382	0.4
79.05380	0.5
84.04428	3.7
84.08064	4.9
85.02813	0.5
86.09616	3.3
91.05393	1.6
95.04859	1.4
102.05453	1.2
102.49853	0.3
103.05393	51.8
104.05711	0.6
105.06968	6.2
107.04900	0.4
110.07076	1.4
115.05383	0.5
119.04868	1.2
120.08021	2.1
125.24729	0.3
129.10194	2.7
130.04951	0.4
131.04880	100.0
131.44386	0.3
132.05150	2.1
133.06454	5.5
136.07494	0.5
137.05942	2.8
138.99051	0.3
141.06497	0.3
143.11703	0.5
147.04350	1.0
151.07498	0.5
153.58913	0.3
155.08099	0.4
159.09204	0.3
161.05930	7.4
163.07504	7.4
170.05946	1.6
175.07410	0.4
179.07001	0.4
185.05687	5.6
186.06479	0.6
187.07294	0.4
202.08566	0.7
219.06296	1.1
275.07468	1.6
310.11349	0.3
333.07785	0.6
335.09384	14.4
336.09982	0.5
336.20889	0.3
381.12939	0.6
383.14478	2.4
433.84784	0.3
693.23456	60.5
694.23846	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	693.309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92792	0.3
54.81770	0.3
55.05448	1.4
56.04974	0.7
56.96502	1.3
60.04461	1.6
63.56186	0.3
64.93075	0.3
67.05432	0.3
69.03355	0.4
69.06971	0.3
70.02859	0.4
70.06509	100.0
71.04916	0.5
71.06836	1.9
72.08070	3.5
74.05971	0.6
84.04417	2.6
84.08072	5.7
85.02811	0.5
86.09626	19.1
87.05523	1.7
88.03913	7.0
91.05412	1.9
93.06978	1.3
96.08053	1.4
97.06461	0.6
98.05981	0.5
98.09581	0.3
98.97526	1.7
100.11188	1.9
102.05556	0.3
103.05396	4.4
105.06999	0.5
110.07103	2.7
111.04440	0.5
112.08716	0.5
115.08662	0.5
116.07059	1.2
116.98586	1.5
119.04899	0.5
120.08057	71.8
121.08355	2.2
122.57203	0.3
123.78690	0.3
125.07072	14.1
128.10709	0.6
129.10228	2.4
130.06531	0.5
131.04865	0.7
134.99654	0.8
136.07617	1.0
137.05943	1.4
144.07996	0.4
150.06569	0.4
153.06586	0.4
155.11664	0.4
158.99620	0.4
159.09132	0.5
161.01202	2.6
161.02403	0.3
161.05922	0.6
162.09126	0.5
167.08092	3.3
171.07603	3.5
173.12810	6.5
177.00818	0.4
179.60873	0.3
182.15340	1.5
183.11302	0.5
185.09167	17.5
186.09422	0.5
195.07642	1.7
196.06026	14.1
200.07109	0.4
201.12309	2.3
207.11293	1.2
210.14857	1.7
213.08685	9.0
214.08846	0.4
217.09805	0.6
217.13332	6.0
219.01820	1.4
227.11772	1.8
235.10635	0.6
237.02606	0.4
245.12813	2.2
247.12787	1.4
248.50778	0.3
253.15440	0.4
254.12845	4.5
255.11145	0.8
279.33865	0.3
296.13943	1.6
300.13306	1.6
314.14874	3.8
324.13223	0.7
325.11865	0.5
330.18039	0.4
331.26437	0.3
332.15814	1.6
334.15845	0.4
342.14398	4.5
343.00949	0.3
360.15405	6.8
361.02402	4.2
362.02457	0.4
379.03125	2.0
394.13861	0.4
402.16309	0.5
408.34778	0.3
419.19125	1.3
429.17587	7.4
430.17554	0.4
447.18744	8.5
481.22391	0.7
514.26489	0.7
516.34894	0.4
519.11523	0.3
532.27100	0.6
542.26019	9.0
543.25775	0.7
560.26971	3.8
578.27869	0.5
580.40057	1.4
615.10089	1.2
633.10913	1.5
675.29242	1.3
675.47693	0.5
693.30029	6.9
694.31409	0.4
710.27374	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4177
Annotation	MONENSIN
Peak:m/z	Relative Intensity
50.89527	1.5
55.05434	2.7
57.07003	1.6
59.28753	1.7
59.60539	1.7
61.02841	3.8
63.92185	1.9
67.05419	9.3
69.03348	2.9
73.02843	3.2
76.56147	1.7
77.14793	1.7
79.71401	1.6
81.06982	8.9
85.02821	3.6
92.10947	1.9
92.63735	2.0
93.06945	2.3
97.02829	3.3
109.10157	3.8
149.16307	1.7
153.08328	1.8
160.25816	1.8
167.87070	1.8
246.42627	1.8
413.17786	4.6
521.30560	3.7
655.15338	2.7
657.69940	2.3
693.41644	100.0
694.42200	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	693.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	0.3
57.06733	0.4
57.07008	8.5
58.06520	1.5
62.68888	0.2
67.40879	0.2
70.06507	18.0
71.08543	4.2
72.08047	0.5
81.83317	0.2
84.04440	0.2
84.08055	1.1
85.10114	0.4
85.72136	0.2
86.09630	0.5
88.07552	24.6
102.09116	14.0
102.09802	0.4
120.04575	0.3
126.58030	0.3
132.10165	0.6
144.76717	0.2
145.66035	0.3
146.11725	0.6
150.11191	0.5
212.23700	1.0
228.24380	0.3
230.24831	0.4
256.26282	44.3
257.26682	2.3
300.28922	3.5
318.29950	100.0
319.30255	6.4
340.28070	0.5
404.25534	0.3
427.08578	0.3
703.16254	0.3
712.05402	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23677	0.4
57.07003	1.1
60.05573	0.4
66.48602	0.5
72.08072	0.5
74.05991	3.1
74.09628	100.0
75.09968	0.5
76.45208	0.4
76.54240	0.4
79.12206	0.5
87.76860	0.4
93.07002	0.6
124.45612	0.5
145.44157	0.4
223.05244	0.5
279.11343	0.5
312.03821	0.5
621.31219	1.9
693.45142	3.0
694.45306	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	694.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45756	1.1
54.81792	1.4
57.06738	2.5
57.07011	56.8
57.09383	0.9
59.04931	2.6
60.05568	2.1
91.05404	4.8
101.02250	1.6
137.49335	1.1
139.28641	1.1
147.11647	6.9
153.06927	1.9
160.65077	1.2
251.04689	14.5
327.07718	100.0
328.08078	4.9
383.13992	47.0
439.20215	68.8
440.20532	4.2
495.26450	71.7
496.26685	4.8
523.13324	1.3
542.46613	1.4
551.32782	18.6
607.39026	39.3
608.38678	5.0
663.45221	43.4
664.45081	7.5
696.65320	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96634	1.7
55.76685	1.5
62.26944	1.9
67.05425	4.3
70.88886	1.8
77.21660	2.0
79.05403	3.0
81.06947	3.2
93.07010	2.7
95.08535	4.1
95.65776	1.9
100.38834	1.7
119.08530	4.5
446.05045	2.2
500.05081	2.2
517.60638	2.2
519.17206	2.2
597.48602	2.5
695.39117	100.0
696.39392	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	695.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03960	1.4
52.76120	1.5
53.34989	1.5
53.42012	1.6
54.81814	1.6
55.05448	1.5
70.96360	1.6
79.05400	1.8
81.06984	1.7
95.08559	1.6
153.50945	1.8
219.17592	2.2
683.99945	2.0
695.41083	100.0
696.41486	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	695.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05456	2.7
56.31711	1.3
57.07014	1.8
58.49981	1.6
60.81014	1.7
61.02857	2.0
67.05428	11.6
69.03346	2.4
73.02803	2.8
79.05400	2.5
81.06987	3.5
83.08546	3.5
85.02834	2.4
91.03877	4.1
92.10918	3.7
93.06961	2.1
95.08533	2.0
97.02832	4.4
101.02283	2.1
109.10135	10.9
121.10101	2.0
146.88823	1.7
173.11676	2.5
179.93074	1.8
274.59866	2.2
304.60605	2.0
405.28796	2.1
413.17578	14.1
426.09091	2.0
477.77747	2.0
521.02057	2.1
523.32513	8.5
695.43353	100.0
696.43524	8.5
723.24384	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	695.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05445	4.1
57.03386	1.5
57.07000	1.1
57.38326	0.6
59.78562	0.6
60.29427	0.5
61.02862	6.3
67.05431	7.5
69.03350	4.4
69.07002	5.0
69.75872	0.7
71.08559	0.9
73.02822	4.9
76.56405	0.6
79.05416	1.6
81.03372	2.6
81.06982	4.6
83.08527	3.4
85.02825	6.2
91.03873	3.9
91.05397	0.8
93.06978	3.1
95.08531	3.0
97.02845	4.6
97.10086	0.8
101.02355	1.4
107.08543	0.9
109.10114	6.1
109.65156	0.8
110.07425	0.7
119.08517	0.8
119.23777	0.6
121.10092	1.5
127.03894	1.1
135.11595	0.9
138.72359	0.7
165.08765	0.7
173.11794	1.1
195.09877	1.2
203.74059	0.9
243.08513	1.4
339.28680	1.2
386.64267	0.7
413.17969	6.8
523.32550	9.9
597.48267	0.8
695.43274	100.0
696.43768	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80370	3.1
55.05445	9.3
60.04455	4.0
64.34055	3.7
67.05418	9.2
69.06983	8.2
70.06506	68.7
72.08060	19.5
74.05366	4.0
79.05398	4.4
81.06957	24.5
84.04422	9.1
84.08085	36.7
85.02824	7.5
86.09627	28.3
88.03895	4.8
91.05386	17.3
93.06976	23.1
95.06002	4.0
95.08531	38.1
105.06973	46.3
107.08535	41.2
109.06437	5.3
109.10092	17.2
110.07082	19.8
119.08559	44.1
120.08073	15.4
121.10087	26.5
123.08013	6.4
128.74454	5.2
129.10175	22.1
131.04933	4.9
131.08562	30.1
133.10086	41.9
135.07973	8.4
137.05957	21.6
137.09607	5.0
143.08504	8.2
145.10088	32.3
147.11667	31.8
149.09605	15.7
149.13214	7.7
157.10101	26.7
159.11690	48.2
161.09578	7.6
161.13211	25.7
165.09070	17.7
169.10028	5.5
171.11653	33.0
173.13232	72.9
175.14780	24.3
176.08324	4.2
183.11681	5.8
185.13165	31.0
187.14775	25.3
191.14264	4.9
197.13188	9.0
199.14790	34.7
201.16399	6.9
203.14259	5.3
205.12193	17.2
213.16310	17.4
218.96558	5.0
219.13779	5.3
225.16479	5.2
227.84653	4.3
231.13774	9.7
233.15230	5.4
235.16760	6.8
291.15720	4.9
389.27844	7.3
391.29410	6.6
407.29541	5.9
409.30859	8.8
423.28967	4.7
437.30014	5.9
463.28201	6.9
481.29132	19.2
499.30289	17.9
517.31500	100.0
518.31506	17.4
691.13495	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	697.5219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01799	0.3
55.05449	22.2
56.04961	0.3
57.06997	0.6
58.06489	0.3
65.14220	0.2
67.05421	0.6
69.03345	0.3
69.06982	1.3
70.06503	7.7
72.08060	1.7
74.05978	0.4
79.01426	0.2
79.05408	0.4
81.06969	1.0
82.06496	4.2
83.04900	3.1
83.08535	17.5
84.04412	1.5
84.08068	4.8
85.02811	0.4
85.06461	1.4
86.09621	2.9
87.05544	0.3
91.05415	0.5
92.10871	0.3
93.06951	0.3
96.08030	0.4
97.06439	0.6
98.09625	2.4
100.07538	7.1
100.11182	100.0
101.05894	0.3
101.11507	2.3
107.04939	0.3
107.08509	0.3
110.05995	2.6
110.07114	1.5
111.04388	11.9
111.05161	0.4
112.07537	4.0
112.11169	0.4
116.07065	0.4
117.13834	2.0
119.08548	0.4
120.08106	2.1
120.08806	0.3
126.09132	2.9
127.08636	1.7
128.06099	0.5
128.07022	9.7
129.05396	0.5
129.10167	1.8
133.28114	0.2
136.07600	0.5
137.05992	0.4
139.08595	3.1
140.07043	3.8
145.10115	0.3
147.11594	1.2
157.10001	0.3
159.11671	0.3
163.07498	0.3
164.14317	0.3
166.15878	1.1
168.13849	0.5
181.04926	1.7
182.15363	40.5
183.15727	1.1
192.13806	1.6
193.04933	0.3
209.14432	0.4
209.14812	0.4
209.16444	23.4
210.14851	47.8
211.15178	1.5
226.19107	4.5
227.17473	4.4
228.15904	5.3
245.18604	1.7
308.27127	0.5
309.25369	0.6
326.27869	4.1
327.28159	0.4
335.24475	0.3
336.22641	2.4
336.87393	0.3
337.21121	2.3
343.30566	5.3
347.16669	0.3
395.60342	0.3
421.61575	0.3
435.33249	1.5
436.32312	0.3
452.36118	0.4
453.34277	3.5
454.34229	0.3
471.35361	3.2
519.33008	0.9
569.47333	0.3
608.66040	0.3
679.51062	1.6
697.52039	90.3
698.52313	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	698.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25442	0.4
55.68683	0.4
56.96497	50.3
61.32048	0.4
69.03355	1.0
70.06533	0.4
72.95946	0.7
74.97514	1.6
77.35821	0.4
81.03316	0.7
84.95953	6.3
85.02819	3.7
86.09637	0.7
92.98573	0.6
97.02811	1.0
98.97508	22.8
102.97009	1.1
108.68932	0.5
110.97507	4.5
115.00616	0.5
116.98561	26.9
120.08064	6.5
120.98071	0.6
124.99052	0.7
128.98553	13.6
131.00110	1.0
133.01678	1.7
134.99617	17.9
140.98563	2.1
143.00124	9.8
144.98042	0.6
146.99622	22.8
149.01176	2.1
152.98582	4.1
153.00676	2.7
158.99606	9.4
161.01178	31.2
162.99147	1.0
165.00690	6.3
166.08636	2.1
169.01639	0.6
170.99609	16.5
173.01225	0.5
174.98683	0.6
175.02747	2.6
176.03809	3.5
177.00670	16.9
177.02184	0.9
178.05356	9.2
179.02214	6.9
181.01680	1.0
183.03197	3.8
187.02754	6.6
189.00655	9.5
192.03383	0.6
194.04941	4.4
195.01714	3.9
196.06403	12.2
197.01208	0.5
199.02811	1.8
201.00600	4.1
201.04314	8.5
204.03249	3.1
204.78572	0.5
205.03748	1.0
207.01666	0.7
208.02971	0.5
210.04449	0.6
217.03777	1.0
219.01711	17.6
219.05193	0.8
222.04315	27.5
226.03906	1.1
229.03871	0.6
237.02762	59.1
238.03159	0.6
240.05371	43.5
242.03259	0.6
242.08598	0.9
244.92130	0.5
254.03107	0.5
255.03740	7.5
255.05757	0.4
259.04919	3.1
260.04349	0.9
263.07114	0.7
264.05463	3.3
265.05804	0.6
277.05862	7.3
282.06393	0.7
286.05856	0.6
300.05225	0.6
304.03717	0.7
304.06924	16.1
306.06641	0.8
358.08722	0.5
359.05286	0.5
366.08408	4.8
368.05957	0.6
368.11066	0.9
424.12430	0.6
426.26062	0.5
451.13782	100.0
452.14279	3.7
469.14725	1.0
533.16418	0.8
542.46362	0.5
592.70703	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01628	4.4
55.05447	18.0
57.03365	5.1
57.07010	3.9
61.02837	4.3
61.27921	4.7
67.05436	7.4
68.87424	4.3
69.03330	8.3
69.06989	19.0
70.06505	65.9
72.08066	32.6
72.10678	4.7
74.05993	5.3
79.05409	19.6
81.06969	48.4
83.04914	7.0
84.04436	10.9
84.08047	41.1
85.02799	33.9
86.09640	42.2
91.05402	31.9
93.06970	45.1
95.08530	48.6
97.02811	7.0
105.06970	71.0
107.08538	68.7
109.02799	5.0
109.06423	8.7
109.10122	28.6
110.07069	9.5
111.07971	4.5
113.07107	4.8
119.08511	51.7
120.08041	23.2
121.10091	45.7
123.11642	11.5
125.09626	18.8
129.10197	23.9
131.08534	45.1
133.10078	42.9
135.11688	19.3
136.07561	5.7
137.05930	18.4
137.09605	7.4
143.08554	11.7
144.03662	4.6
144.09308	5.4
145.10069	63.0
147.11653	34.5
149.05956	4.3
149.13194	7.4
157.10114	24.6
159.11650	69.7
161.13245	31.3
163.14806	5.1
165.09146	7.1
169.10031	5.7
171.11661	39.5
173.13222	100.0
175.14748	34.5
177.16341	23.8
178.06367	4.9
181.35396	4.6
183.11588	8.1
185.13133	35.5
187.14786	80.5
189.16309	9.9
197.06587	4.7
197.13107	8.1
199.14793	35.9
201.16441	22.4
205.12289	5.3
205.15790	57.2
213.16388	8.8
219.13777	22.1
231.13663	9.0
233.15361	19.7
245.15398	15.4
366.83563	6.4
391.29773	20.4
437.30362	21.2
465.29709	25.3
483.31100	52.8
677.13080	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	698.556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07479	1.7
54.81654	2.1
55.05447	4.4
56.04966	2.3
57.07009	3.4
61.46289	1.7
64.32734	1.8
67.05434	15.6
69.06975	9.0
70.76059	1.7
79.05398	15.3
80.04953	2.2
81.05725	2.0
81.06985	18.6
82.06488	10.8
83.08540	4.3
91.05407	8.9
91.71919	1.8
93.06984	10.9
94.06500	26.6
95.07272	9.9
95.08530	8.0
96.08057	3.7
102.47154	2.2
105.06954	4.5
107.08543	4.5
108.08082	2.4
109.10088	3.7
119.08502	4.1
121.10092	4.1
122.09618	4.2
126.90999	1.9
133.10081	3.5
165.44830	2.0
238.34251	2.0
250.25276	3.2
262.25238	100.0
280.26254	9.8
288.23575	2.3
473.81912	2.3
500.48196	8.7
501.36960	2.2
518.49225	17.3
654.02747	2.4
673.65344	2.5
680.54169	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	700.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59536	0.8
55.05440	1.5
56.04973	3.4
58.65814	0.9
61.01097	1.0
69.06990	1.1
70.06505	20.4
72.08064	8.5
79.95625	0.9
84.03949	1.4
84.04428	26.7
84.08054	8.5
85.02821	1.2
86.09628	13.5
87.67971	0.9
88.03912	4.0
91.05401	14.2
93.06974	3.4
94.66219	0.8
94.97337	0.9
95.04901	2.0
102.05481	1.7
103.05397	5.1
105.03326	1.3
105.06959	1.1
107.04910	1.1
107.08530	1.1
109.10087	1.0
110.07091	5.6
115.08663	1.2
116.64588	0.8
118.06467	10.1
119.04899	6.7
120.08053	100.0
121.08365	2.2
123.04357	6.3
128.04924	1.0
129.10193	4.0
130.06532	1.9
130.67722	0.9
131.04868	0.9
135.08041	1.3
136.07549	28.1
137.05914	3.4
139.04988	5.1
146.05972	18.5
147.04375	4.2
161.13318	0.9
161.58357	0.9
165.05450	10.4
165.09062	1.8
182.08110	10.7
184.07559	1.3
201.06516	1.8
201.10313	1.7
208.11200	3.6
212.07072	1.6
220.11192	2.0
223.07471	1.7
226.11797	1.1
229.09641	1.5
231.11220	1.6
238.12276	4.1
243.72311	0.9
248.10553	1.7
257.09079	1.3
261.08679	1.3
263.09991	1.1
265.13364	1.4
266.11703	7.1
270.11456	1.4
297.10696	2.2
357.04361	0.9
376.16495	3.5
396.59357	0.9
404.15982	3.8
519.18695	6.2
699.47595	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00249	1.3
54.81306	1.2
55.05441	11.5
57.03358	11.3
57.06736	3.0
57.07011	87.3
57.07291	3.4
61.02857	32.6
67.05423	27.0
69.03328	3.3
69.06983	15.5
71.08543	65.8
72.08887	1.5
73.02831	11.7
75.04365	1.5
79.05387	1.7
81.06965	34.8
83.08540	20.9
85.02348	1.8
85.02826	32.9
85.10105	33.6
85.44603	1.6
91.03867	23.8
93.06983	2.1
94.06550	1.5
95.07956	2.8
95.08530	47.1
96.55013	1.5
97.02828	11.4
97.10075	17.0
99.04385	2.2
109.10100	18.2
111.11678	7.1
111.89488	1.5
117.31569	1.4
123.11613	10.8
127.03847	6.4
137.13228	1.9
145.04939	9.4
163.05981	10.3
178.34056	1.2
184.02744	1.5
203.12038	1.4
231.39209	1.6
243.62010	1.6
263.25702	2.0
267.26797	21.6
285.27866	2.6
325.50815	1.4
341.30423	100.0
342.30771	8.1
359.31424	41.8
360.31735	3.2
382.89203	1.5
410.50110	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53099	3.4
55.05443	23.8
56.04973	8.5
57.07027	5.8
58.63070	3.5
67.05416	39.1
69.07000	22.3
71.08557	5.7
79.05404	26.4
81.06571	4.1
81.06952	32.1
81.90539	4.2
82.06513	9.5
83.08537	10.7
83.42010	4.2
85.02831	4.4
89.01173	5.6
91.05382	20.6
93.06966	26.2
94.06510	53.5
95.04946	4.5
95.07271	28.9
95.08550	21.4
96.08074	9.3
97.10075	6.3
105.06955	10.9
107.08549	5.9
108.08037	6.1
109.10093	5.6
112.95757	4.3
119.08561	6.5
121.10094	7.2
135.11641	5.5
248.23692	100.0
249.24066	5.1
262.25220	60.0
266.24771	7.0
279.50739	4.9
502.45914	44.0
504.46881	4.6
520.46674	25.3
594.69586	5.5
677.13611	6.7
682.51593	16.6
685.40570	5.8
701.48981	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	701.493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.53432	0.1
61.35292	0.1
70.06522	0.2
84.08096	0.1
88.41551	0.1
96.41203	0.1
100.11202	0.1
141.16789	0.1
144.62141	0.1
176.57188	0.1
178.64600	0.1
201.38303	0.1
350.94003	0.1
359.79108	0.1
361.22714	0.1
633.17969	0.1
683.47705	0.8
701.49243	100.0
702.49548	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	702.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35831	0.5
56.33834	0.5
57.07010	16.9
57.29450	0.5
70.06142	0.8
70.06509	16.3
71.08546	11.5
80.66345	0.6
84.08070	0.7
85.10103	5.7
88.07551	26.2
106.08601	32.4
116.07000	1.2
119.08527	2.9
125.34109	0.6
147.17427	0.7
148.45703	0.6
175.44926	0.6
181.53125	0.7
278.60144	0.6
288.28891	100.0
289.29184	4.6
581.49237	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4023
Annotation	Voacamidine
Peak:m/z	Relative Intensity
55.05444	1.5
57.07021	3.0
67.05423	4.2
69.06985	0.7
71.08547	1.2
75.21729	0.6
79.05420	1.1
81.06971	3.5
91.05405	0.9
93.06957	1.0
95.08550	3.3
97.10126	1.0
104.91239	0.6
105.06947	1.0
109.10078	1.0
112.99949	0.8
140.80597	0.6
162.18214	0.7
162.84523	0.7
193.80122	0.8
195.71255	0.6
347.09845	1.0
359.84888	0.8
373.03046	0.7
401.34253	0.7
543.34949	28.2
544.35260	1.6
575.50330	4.2
576.50714	3.0
705.40155	100.0
706.40521	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	706.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00248	1.9
53.03901	1.7
55.05459	3.8
56.04961	3.9
56.96481	2.0
57.03374	2.3
60.04457	2.7
67.05423	2.4
69.03340	8.8
69.06996	2.3
69.92307	1.7
70.06509	66.5
72.08058	25.1
74.05988	2.6
79.05405	2.7
81.06966	2.5
84.04427	20.0
84.08063	33.0
85.02845	3.9
86.09622	39.0
87.04414	2.6
88.03918	3.9
91.05393	22.9
95.04909	11.1
97.02798	4.1
97.52545	1.9
101.07094	2.2
102.05479	2.6
103.05391	40.1
105.06955	15.2
107.04891	11.0
110.07114	17.1
115.05424	8.1
115.08619	2.1
116.98589	1.9
117.06967	4.2
119.04872	18.0
120.08052	15.0
121.06444	9.1
122.03593	7.8
123.08018	3.1
128.06190	2.2
128.31607	2.0
129.06969	15.3
129.10214	11.7
130.04996	2.1
131.04887	65.3
131.08542	10.9
132.05661	1.9
133.02832	7.3
133.06429	3.4
135.07993	4.7
136.07553	9.7
137.05948	100.0
138.06267	4.6
141.06998	4.1
143.04898	2.0
145.06429	4.0
147.04391	11.0
147.07997	3.6
148.05122	2.7
149.05937	14.3
150.07753	2.0
151.03877	4.4
151.07526	31.9
157.06442	13.3
159.07991	7.6
160.05144	3.3
161.05940	77.3
161.07245	2.8
161.09590	17.1
162.06566	3.1
163.07501	61.6
165.05475	2.5
165.06929	2.4
165.09068	2.4
167.03352	17.8
167.06981	3.0
167.08426	3.2
174.06714	19.2
175.07463	34.8
177.05405	2.5
177.09071	12.7
179.07085	2.8
186.06702	2.3
187.07430	3.6
189.09062	47.8
190.09419	2.4
191.06993	3.7
191.08554	2.9
193.06502	2.7
195.07982	7.8
201.09068	10.9
201.12334	4.3
203.08549	2.3
205.06487	3.0
207.08295	3.4
207.10017	19.6
208.08762	2.1
209.09663	2.8
211.07498	3.4
219.08035	12.6
219.10078	78.7
220.10545	2.4
221.06046	4.1
222.06773	2.1
223.07491	8.4
223.11096	2.0
224.08177	2.7
225.09058	7.7
227.06969	3.0
235.07509	2.9
236.08208	2.7
237.09088	10.9
239.07101	3.8
239.10510	2.6
240.07654	2.7
241.08443	2.1
247.07468	8.4
249.09041	2.8
251.06877	3.7
251.10614	7.4
252.07745	2.5
253.08492	23.4
255.06403	7.4
255.10254	3.0
263.06747	2.3
264.07819	2.6
265.08572	19.6
267.10098	2.6
269.08112	2.4
269.11792	2.9
270.08878	3.8
277.08725	3.7
277.11838	2.3
279.10080	12.0
283.09683	7.5
285.11182	8.8
287.12656	4.1
295.09637	3.5
296.10342	2.7
297.11169	19.2
309.11179	2.7
311.12720	9.4
323.12793	3.0
329.13742	18.1
331.15332	9.9
337.14261	4.1
348.78418	2.5
355.15417	17.1
367.15271	8.2
461.19934	3.1
479.20615	4.2
497.26212	1.9
509.21100	6.8
515.19684	2.4
706.36646	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	708.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12218	4.8
57.07017	60.4
67.05425	7.6
74.09203	5.0
81.06971	12.1
86.55902	6.0
88.21563	5.4
93.06976	5.9
99.28262	5.9
111.84309	5.7
134.98177	6.7
236.14880	8.9
327.07745	100.0
383.13733	37.8
391.32004	6.0
410.52557	5.4
430.17517	5.6
439.20200	79.8
455.37375	6.3
470.91385	5.9
495.26279	66.0
597.47876	25.2
607.38672	45.8
634.04926	6.8
658.19073	6.0
663.44971	55.7
708.57971	10.0
709.46368	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	709.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88315	0.2
52.49406	0.2
53.55774	0.2
56.96500	10.8
68.09362	0.2
70.44195	0.2
71.95188	0.5
76.56140	0.3
94.04122	0.6
98.97509	37.5
99.97855	0.3
103.46421	0.2
116.98569	57.1
118.98967	0.3
122.03587	3.5
134.99623	61.9
137.05951	46.2
138.06236	1.0
140.00174	1.3
149.01251	0.3
153.00682	17.4
158.01233	3.1
176.02263	0.4
197.01147	3.4
198.02016	1.8
199.02725	0.4
205.04701	0.4
208.10001	0.5
211.02737	2.0
215.02242	1.7
216.02983	0.6
220.00417	1.7
224.09566	1.6
226.11092	16.3
227.05859	0.2
235.02715	27.6
236.03076	1.2
238.01442	4.0
241.03763	1.0
242.10548	2.2
244.09561	0.5
244.12135	18.0
253.03775	100.0
254.04221	2.6
264.12601	0.3
267.13760	1.1
268.12173	2.7
271.04846	8.9
276.05362	5.3
280.12024	0.5
286.13174	1.0
311.05414	0.3
329.12793	1.9
344.15222	5.1
347.13855	0.9
362.16379	1.6
380.22897	0.3
404.17355	88.1
405.17770	3.8
709.28290	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05448	4.0
55.66224	3.0
56.04963	4.7
57.03358	13.5
58.41239	2.8
63.71264	3.3
67.05425	5.7
69.03344	6.7
70.06510	100.0
72.08076	27.2
73.02840	3.5
79.05426	4.2
81.03342	4.5
81.06965	7.3
84.04424	19.2
84.08069	39.3
85.02824	3.8
86.09615	39.3
88.03919	3.5
91.05395	17.1
91.31572	3.0
93.06980	7.5
95.04893	3.5
95.08511	7.0
97.06461	5.1
98.45528	3.0
98.88647	3.7
103.05388	6.2
105.06986	18.5
105.32448	3.1
107.08505	7.9
109.06396	3.3
110.07115	18.9
112.08685	4.8
116.07037	16.0
119.08521	5.8
120.08043	27.2
120.09985	2.9
120.20300	3.0
121.06445	4.9
124.68314	3.9
127.03835	3.4
129.06949	3.6
129.10204	20.9
130.36842	3.1
131.04861	6.5
131.08548	3.7
132.73447	3.5
133.06551	3.6
136.07550	7.9
137.05980	15.1
145.06425	4.1
145.10068	4.1
147.04355	3.6
151.07564	3.8
155.08475	14.4
157.06419	4.8
157.09959	3.4
158.46539	3.6
159.07870	5.1
159.65756	2.9
161.09618	3.3
167.06943	4.2
167.08453	4.7
179.08513	4.3
181.10107	4.9
183.11549	4.1
185.09460	4.5
193.10147	7.1
195.08067	3.7
195.11819	3.7
196.08905	3.9
205.10054	3.6
207.11615	4.2
209.09595	4.1
217.10130	5.0
219.11676	5.9
221.09494	4.3
221.13196	3.7
229.09978	4.3
230.10948	4.1
231.11607	4.6
233.13029	5.8
235.11049	4.5
239.14087	4.3
243.11559	4.2
244.12520	3.9
245.13062	5.6
247.11166	4.5
247.15028	3.6
249.12665	4.3
257.12933	4.5
259.14783	4.5
261.12717	5.1
263.14212	5.7
267.11377	4.6
271.11429	5.1
275.14029	4.1
285.12766	3.8
287.14084	6.1
351.56631	3.5
385.21350	5.0
403.22772	5.7
445.23563	4.3
463.24585	21.3
481.25433	32.4
499.26730	24.6
525.24622	7.5
543.25879	60.4
613.29761	13.2
656.80304	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	710.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	1.0
57.03369	12.3
59.04936	2.5
61.02837	3.2
69.03342	14.9
70.06503	4.5
71.04894	3.5
71.08558	7.7
72.08057	0.8
72.21884	0.6
73.02821	1.1
77.07524	0.5
79.05404	1.4
80.54215	0.6
81.03333	2.6
81.06969	15.1
84.04411	0.8
84.08066	2.6
85.02820	31.0
85.06458	2.6
86.09609	4.7
87.04372	9.1
91.03886	0.7
97.02817	16.2
99.04363	0.7
99.08016	26.9
100.71468	0.6
109.02802	1.3
109.06463	24.6
110.07092	1.1
115.03890	10.8
116.07037	1.1
117.09074	100.0
118.09411	2.9
119.26758	0.6
127.03870	5.1
127.07507	49.7
133.04924	11.5
145.04918	5.2
163.05956	1.4
163.09610	41.8
200.13795	0.8
228.13367	0.7
237.13301	0.9
259.08029	1.2
273.77066	0.7
295.10114	1.3
325.14807	3.8
339.72766	0.6
342.17609	2.9
482.34644	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	12.7
55.67097	2.5
56.04963	4.0
57.07006	5.0
60.78182	3.9
67.05405	12.2
69.06976	17.2
70.06498	20.3
72.08061	6.3
79.05392	5.3
79.18802	3.0
81.06976	34.2
82.34237	3.0
83.08518	14.5
84.04421	4.9
84.08053	15.9
85.02821	6.4
86.09628	17.5
91.05384	17.3
93.06960	24.7
95.08525	61.3
105.06951	33.4
107.08528	47.2
109.10099	55.3
110.07104	5.3
117.06970	3.5
119.08511	88.3
120.08014	6.2
121.10086	52.4
123.11638	18.0
123.12481	2.9
127.03909	3.1
129.10176	10.8
131.08536	21.8
133.10091	55.9
135.11642	38.8
137.13182	6.7
143.08485	6.3
145.10109	46.4
147.11652	40.9
149.13266	27.8
157.10048	12.8
159.11636	38.8
161.13203	30.1
163.07513	4.7
163.14745	16.3
169.10031	3.9
171.11646	11.3
173.13222	25.5
175.14816	32.0
177.16324	12.8
183.11642	3.7
185.13179	13.0
187.14774	26.9
189.16374	26.9
191.17870	4.6
197.13185	4.9
198.27780	2.8
199.14783	17.7
201.16342	55.8
203.17926	36.3
205.15709	3.9
211.14743	6.0
213.16316	31.3
215.17935	11.2
217.19493	4.0
219.17105	3.8
223.05222	3.0
231.17421	5.5
239.18240	2.7
241.19368	11.5
257.15363	3.8
259.16672	4.8
263.18073	3.2
300.89523	3.2
327.63025	2.8
389.31790	14.2
407.33145	23.7
425.34152	3.5
435.32352	40.1
453.33591	100.0
454.34235	3.3
471.34549	52.3
493.75815	2.8
512.36938	4.4
513.35339	12.8
722.25964	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	710.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16508	0.9
55.05453	7.6
57.07004	7.4
63.83144	0.9
67.05423	16.9
69.06984	10.2
69.49632	0.9
76.54651	1.1
79.05396	12.5
81.06968	27.9
83.08533	9.4
85.02802	5.4
87.71836	1.1
91.05387	12.8
93.06967	21.3
95.04869	1.0
95.08521	49.9
97.10077	4.2
99.07985	2.0
105.06971	46.4
107.08531	47.1
109.10099	61.3
111.07996	1.3
113.09594	1.3
117.06937	5.7
119.08529	59.4
121.10088	52.8
123.07964	1.6
123.11638	17.1
129.06938	2.3
131.08519	28.4
133.10085	79.0
135.11636	27.5
137.09547	2.2
137.13185	8.8
143.08492	8.9
145.10098	45.8
145.11232	2.2
147.11653	51.3
149.13235	28.2
151.14801	1.5
155.08507	1.8
157.10077	13.6
158.10844	1.7
159.11638	34.5
161.11983	1.4
161.13231	28.4
163.07463	1.4
163.14775	33.7
165.12733	4.2
169.10080	1.9
170.10979	1.1
171.11630	10.0
173.13199	21.1
175.14777	29.7
177.12730	1.0
177.16328	16.1
179.14241	4.5
183.11613	4.7
185.13213	16.4
187.14761	34.0
189.16306	19.4
191.14238	4.1
191.17906	6.9
193.15825	4.6
197.13245	4.4
199.14790	28.5
200.96031	1.0
201.16344	36.3
203.14230	9.3
203.17903	38.9
205.15852	22.9
207.17319	3.9
209.13208	1.1
211.14731	5.6
213.16322	12.8
215.14384	1.8
215.17850	12.2
217.15840	18.7
217.19447	2.0
219.13791	2.3
219.17424	8.2
221.15182	1.7
221.18932	4.6
223.14746	1.1
227.17897	4.9
229.15749	1.4
229.19476	2.2
231.13673	1.4
231.17400	8.6
233.15305	6.6
240.88220	1.0
241.19423	4.1
243.21089	1.7
245.15317	3.8
245.18828	1.7
247.16884	4.5
269.22739	1.3
271.20264	1.3
279.20935	1.3
281.22684	1.0
299.23520	4.8
305.22580	1.2
313.25159	1.8
319.22998	1.2
336.25476	1.1
357.24261	1.2
359.25415	1.6
367.29996	4.0
389.31949	3.9
407.32932	28.4
413.30450	4.2
423.32364	1.5
425.33994	7.2
435.32465	8.4
436.95847	1.1
453.33551	53.2
471.34546	100.0
472.34723	4.7
512.37463	2.2
513.35669	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05440	37.1
57.03373	9.1
57.06995	7.8
58.56425	4.6
61.02858	55.9
62.58392	4.5
63.15375	5.0
63.95842	4.7
67.05420	49.6
69.06983	43.1
71.08517	7.5
73.02812	11.8
79.05406	27.6
81.06960	67.5
83.08533	39.2
85.02818	51.7
91.03874	30.8
93.06973	23.1
94.73494	4.7
95.08526	51.8
97.02827	12.8
97.06481	5.9
97.10088	12.8
107.08521	9.6
109.10092	28.2
111.08067	5.6
111.11637	5.1
121.10084	47.3
123.11648	7.5
127.03842	8.5
129.88126	5.3
135.11670	26.9
149.13199	21.1
163.05968	10.5
247.24142	29.8
265.25153	99.6
276.25632	5.8
283.26086	10.9
339.28888	78.5
357.29910	100.0
363.23816	7.1
405.82294	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	712.5352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	22.6
59.13847	4.5
59.16365	4.2
63.52751	5.0
67.05426	27.7
69.06985	11.0
76.09220	4.6
79.05397	38.6
81.06973	26.7
82.06509	6.4
83.08495	6.6
91.05415	29.6
93.06982	26.5
94.06499	41.3
94.85661	4.4
95.08523	12.0
105.06966	26.3
107.07301	5.3
107.08518	7.1
108.08059	23.0
119.08536	12.0
122.09588	7.6
131.08549	12.3
133.10080	6.6
134.09625	7.7
147.10538	6.9
155.08690	5.7
167.58025	4.8
248.23759	21.9
260.23666	100.0
262.25189	10.9
278.24710	11.3
521.31122	5.1
532.47009	40.0
634.65717	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	714.5508
Annotation	Pinelloside
Peak:m/z	Relative Intensity
51.69966	0.4
53.03889	0.5
53.20857	0.4
54.81420	0.5
55.01800	0.5
55.02042	0.4
55.05232	0.5
55.05451	9.1
56.04976	5.2
57.07014	5.1
58.06530	0.8
60.04443	2.2
65.03848	0.7
67.04156	0.7
67.05079	0.7
67.05427	19.7
67.33231	0.4
68.04932	0.7
69.03335	2.0
69.06989	12.2
70.06503	3.1
71.08530	2.3
71.30518	0.4
78.24384	0.4
79.04959	0.6
79.05408	15.6
80.04935	5.2
81.05702	2.2
81.06975	14.9
82.06493	10.1
83.08532	6.8
85.02813	3.1
91.04887	0.8
91.05404	12.0
93.06971	13.5
94.06493	27.2
95.04881	2.8
95.07273	14.4
95.08531	11.0
96.08060	7.0
97.02791	0.8
97.06403	0.5
97.10075	3.7
105.06969	9.6
107.07263	0.7
107.08531	8.7
108.08063	4.1
109.10107	4.7
119.08538	7.6
121.10090	6.4
122.09628	3.6
123.11662	0.9
133.10072	4.0
135.10580	0.5
135.11662	3.3
136.11168	0.9
147.11652	2.4
151.14679	0.5
223.85704	0.6
233.22647	3.0
245.22575	3.0
250.25240	10.0
254.24561	0.6
260.23486	0.6
262.25235	100.0
263.25607	4.9
272.25787	3.4
280.26346	7.4
291.76129	0.5
380.05273	0.5
476.49176	0.5
504.47433	4.1
516.47687	24.6
517.47821	2.3
518.49219	6.1
534.48737	17.5
535.48932	2.8
696.53870	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	714.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83466	0.3
53.03879	2.0
55.01797	0.4
55.05187	0.6
55.05449	12.1
56.04757	0.4
56.04980	5.7
56.80722	0.3
57.07013	5.1
58.06523	0.4
60.04448	2.3
65.03857	0.9
67.05074	0.6
67.05424	15.4
68.04930	1.5
69.03327	1.6
69.06613	0.5
69.06987	12.2
70.06500	2.8
71.08535	2.5
72.04420	0.4
79.05407	13.0
80.04941	3.9
81.03364	0.4
81.05712	2.6
81.06971	13.1
82.06501	10.6
82.07288	0.4
83.08533	7.3
84.08068	0.7
85.02821	2.6
85.10138	0.4
85.40311	0.5
91.05407	13.6
93.05708	0.5
93.06973	14.4
94.06490	28.3
95.04901	3.0
95.07281	13.4
95.08530	11.6
96.08070	8.5
97.02799	0.7
97.10093	3.3
105.04434	0.6
105.06990	7.8
106.06514	0.4
107.07275	0.8
107.08530	5.9
108.08067	4.2
109.10102	5.0
111.11664	0.7
119.08543	7.0
121.10114	8.4
122.09612	3.4
123.11651	0.8
124.11152	0.5
133.10101	4.4
135.10535	0.5
135.11649	3.7
136.11131	1.4
147.11653	1.6
149.13254	0.7
175.14830	0.4
193.19498	0.5
205.19597	0.4
209.03217	0.4
213.13051	0.5
227.17593	0.4
233.22601	2.4
245.22607	3.5
248.23761	0.5
250.25230	7.9
254.24712	0.7
260.23602	0.4
262.25235	100.0
263.25656	5.7
272.25681	3.5
280.26276	6.1
312.25397	0.5
325.26056	0.5
504.47638	4.0
505.47778	0.5
516.47687	25.9
517.47876	3.5
518.48859	3.8
519.48975	0.5
525.84521	0.4
534.41339	0.8
534.48755	15.4
535.48901	1.8
696.44025	0.5
696.54065	6.5
697.54291	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04964	0.5
57.03368	0.6
58.61123	0.4
65.09895	0.4
69.03346	2.1
70.06519	7.2
72.08071	3.7
74.05997	0.6
84.04440	2.5
84.08075	3.7
85.02837	4.2
86.09637	2.5
87.04408	0.4
97.02819	2.3
107.65861	0.5
110.07119	2.2
110.83916	0.4
119.01856	0.4
120.08099	0.9
129.10222	2.1
133.04932	0.5
136.07564	0.6
161.02946	0.9
167.06853	3.1
167.08218	0.4
173.02995	0.9
176.50752	0.4
179.03349	0.7
180.84312	0.4
185.02747	0.5
185.04233	3.0
185.07820	9.5
203.05299	9.1
221.05186	0.5
237.08955	0.8
238.09378	0.5
263.50357	0.5
277.11115	0.5
283.09555	0.5
285.12888	4.1
287.09116	0.7
300.12369	1.9
301.12527	63.5
302.13022	3.3
346.12775	2.1
347.13052	100.0
348.13483	2.9
391.15656	29.6
392.15979	0.9
454.10080	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54820	0.3
55.05448	0.4
67.05423	0.4
67.67091	0.4
69.03362	0.5
70.06479	0.6
70.83048	0.4
72.08081	0.7
74.25781	0.4
81.06989	0.8
83.55986	0.3
84.08057	0.4
86.09647	0.7
92.10888	0.7
93.06995	0.5
95.08551	0.7
97.02805	0.6
101.57694	0.3
105.06939	0.6
107.08482	0.4
109.10117	0.4
119.08553	0.7
120.08089	0.4
121.06470	1.5
121.10122	0.5
131.08632	0.4
153.63972	0.3
170.13126	0.4
185.04248	1.6
203.05295	2.5
209.56175	0.4
245.06316	0.6
245.22440	0.4
319.22708	0.9
341.20862	3.6
342.21274	1.6
480.18207	0.4
514.77112	0.4
611.39484	0.8
655.38062	2.2
715.40125	100.0
716.40485	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	716.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05436	0.8
59.04928	0.5
67.05424	0.6
67.84698	0.6
69.03344	4.6
79.05390	0.9
81.03323	1.1
81.06963	1.0
83.04874	3.0
84.83088	0.6
85.02818	1.5
89.05949	0.9
91.05378	6.3
95.01574	4.8
95.04879	1.3
95.08542	0.6
105.06940	0.6
107.08520	1.3
111.04383	3.3
115.05392	0.8
117.06950	1.2
119.08524	100.0
120.08862	2.8
129.05414	1.1
133.06438	6.3
144.61331	0.7
155.01845	3.6
171.01340	18.0
185.02905	0.9
194.02890	0.7
215.66629	0.7
237.09570	2.6
303.17877	2.9
306.27692	0.7
362.35431	0.7
431.22528	0.9
441.98242	0.7
497.19632	0.8
563.27930	1.1
699.36182	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00842	2.3
55.05431	14.3
56.04969	4.4
57.07016	25.6
60.04457	100.0
64.39053	2.6
66.68807	2.8
67.05431	30.8
69.06979	13.1
71.08529	15.4
79.05395	13.8
81.06963	31.6
83.08542	6.0
85.10098	3.8
89.05961	3.8
90.04779	2.5
91.05367	4.9
93.06958	16.8
94.06518	5.5
95.08523	19.3
97.10122	3.0
99.74456	2.7
99.94045	2.6
101.03342	2.5
105.06960	3.0
107.08466	2.9
109.10112	6.6
110.58645	3.2
121.10065	4.0
214.08438	3.4
252.20610	2.7
256.26218	12.6
261.19815	2.7
262.25168	25.2
274.87369	2.6
280.26175	20.0
281.45187	3.3
285.11737	2.9
298.27350	12.5
304.98828	3.0
306.27945	6.4
518.49384	5.5
536.50330	74.7
554.51343	49.0
601.51642	3.4
717.45703	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	718.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01820	3.1
55.05454	9.5
56.04976	10.6
58.26202	1.8
67.05415	4.5
69.03339	3.5
69.06986	3.5
70.06509	88.7
71.06840	4.1
72.08073	35.2
74.05991	5.7
74.61075	2.1
75.04401	2.3
79.05412	4.5
81.06965	2.5
83.06017	2.4
84.04429	26.3
84.08075	50.8
85.02827	17.3
86.09629	26.5
87.05553	2.1
88.03927	4.1
91.05401	19.3
92.10918	10.6
93.03368	2.7
93.06963	3.7
95.04897	11.3
97.06478	2.8
100.11148	5.1
101.07066	4.3
102.05440	9.2
103.05397	38.2
104.05270	2.8
105.06974	11.6
106.04137	10.6
107.04916	9.7
110.07111	15.0
111.04382	4.0
112.08720	2.9
113.07100	3.1
115.05402	9.1
115.08664	3.3
117.07008	3.4
118.04137	3.6
119.04913	8.7
119.08600	2.8
120.08067	46.8
121.06450	17.1
121.08404	3.3
122.03635	2.9
123.04377	5.6
125.05956	4.9
129.06949	2.2
129.10214	24.1
131.04903	48.7
133.02792	3.2
133.06436	12.3
135.08018	9.6
136.07547	15.2
137.05954	75.0
139.08646	2.6
141.05530	4.0
143.04866	3.5
145.06473	5.8
147.04395	9.1
148.05174	15.3
149.05937	16.2
151.03902	54.7
151.04991	5.7
153.05472	3.8
159.07797	3.4
161.05962	11.0
163.07504	33.1
165.05453	2.9
165.09077	2.8
167.06990	41.2
173.05899	5.6
174.06706	3.0
175.07500	3.9
177.05450	13.8
181.04898	63.7
181.06393	3.4
181.08551	4.7
183.14850	3.1
187.07401	2.7
188.83661	2.5
191.06998	100.0
193.03189	5.6
193.04877	3.0
203.06900	2.9
209.08031	37.2
219.10150	3.4
223.04263	8.9
233.07951	3.5
235.07449	2.8
237.09009	3.8
263.09076	19.4
337.94540	2.5
355.11716	3.0
357.13232	4.8
357.22943	2.6
385.12564	9.3
387.14212	10.9
417.15631	12.1
429.41464	2.9
532.39240	2.8
610.54407	3.0
718.46338	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	718.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07007	60.7
58.40060	3.4
70.81013	3.9
71.08560	32.3
72.11029	3.9
73.06456	14.2
85.10088	16.4
87.04362	14.4
88.11889	3.2
89.05947	100.0
97.76521	3.8
105.79372	3.3
107.06992	15.8
117.09079	6.8
133.08574	49.3
146.35559	3.8
177.11159	15.8
184.07446	4.0
196.73720	4.0
201.62967	3.6
243.23151	4.2
357.48972	4.2
701.50409	4.3
718.52899	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	719.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10400	1.1
51.23755	1.0
63.59804	1.0
67.05390	1.3
70.06511	2.2
80.94772	15.7
81.06978	1.6
82.94475	39.7
84.08072	1.2
84.20963	1.1
86.09636	2.0
90.08362	1.1
93.06963	2.0
95.08510	1.7
105.06962	7.7
107.08491	1.2
109.10136	1.5
119.01854	6.8
119.08528	2.3
121.06454	4.5
121.10127	1.5
123.11631	2.1
129.10207	1.4
131.08499	2.2
135.07915	1.2
137.02942	5.7
145.10144	2.0
147.08035	1.2
150.64717	1.2
157.10086	2.3
164.08549	1.3
171.11647	1.5
175.14725	1.7
197.06540	4.1
203.05508	1.7
211.08273	1.6
221.06528	28.6
235.07932	2.0
239.07588	6.7
247.08118	1.3
265.19577	1.6
283.20309	1.6
300.83466	1.1
341.19730	2.0
359.20523	1.7
383.20529	2.6
400.16437	1.6
401.16351	8.9
401.21567	12.7
419.22684	100.0
420.22913	6.1
442.23993	5.0
719.43732	16.7
720.43597	2.5
738.84418	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86018	0.3
62.07381	0.4
71.37638	0.4
81.06968	0.6
91.05436	0.5
109.80090	0.4
119.08571	3.1
120.08872	0.9
130.12193	0.4
133.10205	0.6
154.17009	0.4
181.26109	0.4
286.00546	0.5
307.09113	0.5
402.68570	0.5
561.26178	0.9
587.28156	4.0
721.35522	100.0
722.35852	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	722.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01806	3.8
56.04965	4.3
57.03374	57.0
59.04951	6.0
60.04453	4.3
64.74838	4.3
67.05434	8.8
69.03342	27.1
70.06516	61.1
72.08064	24.2
73.02828	62.0
79.05402	8.2
81.06968	8.3
83.71000	3.7
84.04421	20.0
84.08064	34.4
85.02861	7.5
85.06438	4.8
86.09638	40.0
91.05408	19.9
93.06969	9.0
95.04882	16.2
97.02839	9.6
97.06475	8.2
103.05387	6.1
105.06982	20.2
107.04886	4.3
107.08511	6.2
109.06456	29.7
110.07106	16.5
115.05417	5.0
119.04880	9.1
119.08504	4.4
120.08033	20.2
121.06487	8.4
129.06978	8.3
129.10214	19.5
131.04860	5.2
131.08482	6.0
133.06459	5.5
135.08070	6.7
137.05957	67.1
143.08496	4.8
144.79594	4.6
145.06468	4.7
149.05998	5.6
155.08430	5.6
163.07437	8.7
167.06982	5.2
167.08531	3.8
169.06422	6.0
171.08035	27.2
173.09531	5.6
179.08525	6.2
193.09995	6.9
195.07983	6.8
197.09601	16.2
199.07431	5.3
208.08759	7.8
209.09578	9.1
211.07487	6.0
211.11336	5.0
213.08974	5.2
221.09592	5.2
223.11234	8.0
225.09088	8.3
233.09596	4.7
235.11182	16.4
237.09192	4.6
245.09598	6.9
245.13171	6.8
246.10376	5.5
247.11069	7.5
249.09010	5.5
253.12288	7.3
258.10553	5.3
259.11038	17.4
261.08914	4.8
261.12753	5.0
263.10580	7.6
263.14194	6.7
271.11057	5.3
273.12741	9.1
275.14258	6.3
277.08713	4.7
277.12210	6.5
277.15756	6.9
279.09958	4.5
285.12714	5.7
287.10928	6.4
287.14188	18.1
289.12350	9.4
289.15796	7.0
291.13785	9.5
299.10593	5.1
299.14178	7.3
301.15771	19.6
303.13742	6.9
305.15149	5.8
313.15683	5.5
319.13400	7.7
327.13739	6.2
329.15225	8.8
331.16840	4.9
333.14899	4.4
347.16150	6.6
392.24332	4.7
397.16492	26.1
407.18176	8.6
411.17654	7.3
433.19962	8.8
451.21066	30.5
469.22073	21.9
475.21326	9.7
493.22037	58.6
511.23193	100.0
512.23724	9.4
537.21118	5.4
555.22272	48.9
722.29578	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	723.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
66.40131	0.3
109.49023	0.4
144.79480	0.4
201.01407	0.5
202.60548	0.4
323.06198	0.4
351.26740	0.4
381.07828	100.0
382.08148	4.5
384.41666	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16674	0.4
52.96080	0.5
57.41437	0.4
57.76301	0.4
67.00218	0.4
72.26672	0.5
76.77364	0.5
92.53175	0.5
92.64006	0.5
325.43610	0.5
326.73703	0.5
381.07840	100.0
382.08130	2.6
382.91360	0.5
434.85596	0.7
459.81680	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46022	0.4
53.81044	0.6
55.01815	1.1
61.81069	0.4
66.07529	0.5
67.01777	0.4
67.05412	0.5
68.99702	2.6
69.03338	0.7
70.06515	1.1
83.04893	0.8
84.04454	0.9
95.04910	0.7
97.02794	0.7
111.04375	3.4
123.04369	11.5
127.03867	0.8
135.04396	10.6
137.05952	0.7
139.03879	100.0
140.04222	5.6
141.06868	0.7
147.04411	1.1
151.03865	5.2
153.06926	1.3
159.04385	0.8
161.05992	0.7
163.03868	11.8
179.03351	5.8
181.06375	1.2
184.77187	0.6
185.05998	2.0
187.03909	2.5
189.05418	4.0
191.03377	0.6
193.04927	0.7
199.07581	0.7
201.05386	0.7
203.03349	1.2
209.05972	0.8
213.05484	2.4
215.03407	0.6
217.04935	2.2
229.04967	1.3
237.05208	0.7
241.04909	2.1
245.04370	3.5
255.06544	6.3
257.04398	1.0
258.04727	0.7
259.05917	2.4
263.05338	0.6
269.04349	2.2
271.05835	1.2
273.07449	0.7
283.05930	14.0
284.06241	0.9
287.05493	4.6
291.08566	2.6
299.05484	4.9
301.06973	15.0
302.07346	0.9
303.08365	0.6
311.05325	0.8
363.16385	0.7
421.09055	3.8
439.09973	5.6
591.14319	3.2
644.05859	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52319	1.9
55.05443	12.0
57.03375	57.0
57.19244	2.0
58.84639	1.7
59.04906	2.5
59.33794	1.8
61.02858	4.2
63.33157	1.9
66.82020	1.8
67.05424	13.9
69.03349	23.6
69.06995	3.4
70.06516	21.4
71.04898	2.1
72.08067	8.3
73.02830	53.5
79.05418	21.9
81.06979	20.7
83.08563	2.8
84.04436	3.5
84.08073	9.1
85.02831	4.0
85.06461	12.5
86.09629	4.0
91.05405	27.5
93.06962	24.7
95.04884	19.8
95.08537	11.7
97.02816	10.1
97.06466	11.1
99.08030	3.6
100.11191	10.8
105.06992	33.9
107.04914	4.5
107.08561	9.3
109.06472	20.4
110.07084	2.9
111.08038	8.8
115.03891	4.1
115.05417	4.0
117.06965	12.6
119.04896	13.4
119.08549	15.1
121.06448	9.5
122.95805	2.0
123.04372	2.3
127.07509	3.5
128.06168	3.0
129.06955	12.5
130.07675	2.0
131.04897	4.0
131.08554	14.2
133.06464	13.7
133.10072	8.1
135.08044	2.2
137.05997	3.0
141.05441	3.5
141.07005	3.3
142.07761	3.2
143.08521	20.5
145.06401	3.5
145.10062	4.4
147.07988	4.7
149.05972	8.4
154.07692	3.5
155.08533	14.5
157.06514	9.1
157.10048	3.7
159.08031	10.1
161.05986	8.5
163.07536	8.7
165.07018	10.3
165.70125	2.1
166.07675	6.6
167.08539	11.5
169.06442	3.6
169.10132	11.4
171.07994	29.8
171.11504	2.1
173.05920	3.6
173.09636	4.9
178.07727	2.4
179.08580	10.4
180.09215	2.6
181.08740	2.2
181.10127	11.9
182.10910	2.3
182.15347	5.0
183.08015	12.6
183.11655	5.1
185.05919	4.6
185.09590	9.4
185.13222	2.4
189.09114	2.6
191.08475	3.7
192.09256	7.0
193.10138	11.9
195.08031	17.7
195.11603	4.1
196.08749	3.5
197.05911	3.0
197.09584	15.7
199.07516	9.8
199.11099	2.6
203.08565	4.0
204.09317	4.0
205.10094	9.0
206.10861	2.6
207.08086	4.5
207.11618	9.9
208.08800	2.9
209.09612	16.8
209.13118	2.1
209.16414	3.2
210.10280	2.8
210.14870	3.2
211.07498	11.1
211.11150	11.8
213.05496	2.9
213.09108	8.5
213.12628	3.0
215.08580	4.0
215.10614	3.4
216.09456	3.3
217.10049	8.9
218.10876	2.7
219.08083	3.4
219.11653	11.6
221.09583	19.4
221.13243	2.4
222.10374	3.9
223.07500	4.6
223.11157	13.4
225.09088	14.1
225.12646	3.3
227.10674	8.3
230.10855	10.1
231.08049	3.2
231.11621	3.5
232.08749	8.4
233.09567	13.8
233.13153	7.9
234.10458	3.7
235.07512	4.3
235.11200	17.3
236.11836	2.4
237.09113	8.8
237.12590	5.1
239.10664	8.0
239.14363	4.6
242.11029	4.6
243.11661	11.1
244.12422	2.8
245.09535	13.4
245.13217	4.2
246.10280	9.2
247.11053	15.1
247.14735	2.4
248.11798	4.4
249.09105	9.1
249.12639	12.8
251.10612	12.8
251.14322	3.0
253.08403	3.6
253.12292	4.4
255.11671	2.9
256.12534	3.8
257.09540	2.3
257.13174	8.6
258.10263	8.5
258.14145	2.7
259.11179	17.0
259.14752	3.5
260.11923	8.7
261.09131	8.8
261.12701	20.4
263.10599	13.0
263.14249	11.7
264.07645	2.2
265.12363	3.2
265.15744	3.1
267.13840	4.3
269.13330	5.1
270.10391	4.4
270.13620	2.5
271.11111	9.2
271.14703	2.2
272.11874	9.9
273.09879	2.7
273.12601	21.9
274.10007	2.2
274.13336	3.1
275.10678	9.3
275.14233	20.8
276.11295	4.2
277.09030	2.1
277.12198	16.9
277.15344	2.0
279.10190	4.0
279.13745	3.2
282.13638	2.9
283.10941	4.2
283.13760	2.4
284.11844	11.7
285.12646	10.5
286.13348	3.6
287.10770	5.0
287.14240	11.4
288.11572	3.9
289.12149	15.1
289.15775	9.7
291.10199	3.2
291.13715	11.7
291.17117	2.2
293.11783	2.7
293.15405	3.5
297.12656	5.0
299.14148	14.5
301.12283	11.1
301.15891	14.0
302.12918	4.5
303.10297	4.9
303.13742	19.0
305.11688	4.0
307.13190	7.9
310.13293	2.6
313.11960	4.1
313.15695	4.3
315.13666	7.7
315.17444	9.5
317.11612	8.0
317.15317	10.8
318.12451	2.4
319.13190	4.8
319.16766	3.2
327.13742	9.0
329.15228	4.1
331.16772	2.5
333.14651	4.3
335.16522	2.6
341.15100	3.6
343.16833	5.1
345.14664	7.8
347.16211	4.2
349.17914	2.8
353.18726	3.9
356.17444	2.2
359.16171	13.9
359.23016	6.7
361.17920	3.0
369.18155	3.6
371.20007	11.4
373.17795	4.0
375.19720	4.0
377.17261	4.1
381.17914	9.8
389.21017	9.0
395.14600	4.6
399.19397	11.3
405.16629	3.8
407.17963	3.7
415.18872	8.3
417.20544	15.3
419.18320	4.7
423.18112	4.0
427.18826	4.0
431.21979	4.8
433.19711	2.6
435.21448	9.4
437.19287	12.0
445.19446	3.9
447.21616	26.8
448.21829	3.5
449.22891	20.7
459.21521	14.6
473.32803	2.8
475.20563	3.1
477.22650	89.1
478.22699	10.1
493.22137	14.7
495.23682	100.0
496.23950	13.4
511.23074	25.5
513.24701	35.2
514.24927	3.3
529.24078	4.1
539.22162	10.6
557.23425	21.3
609.26221	3.6
627.27753	3.8
654.54218	2.7
679.50629	10.5
724.31561	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	1.8
53.59001	1.6
53.60943	1.6
55.05430	13.1
56.04971	3.8
57.03142	2.4
57.03379	49.3
60.04422	2.2
61.02853	3.9
62.49863	1.6
67.05437	13.0
68.91493	2.0
69.03352	19.7
69.06983	4.2
70.03626	1.6
70.06514	45.7
71.04887	3.5
72.08073	20.0
73.02834	55.6
74.06002	3.4
79.05415	16.6
81.03328	2.9
81.06641	1.4
81.06982	21.9
83.04867	2.5
84.04444	14.2
84.08073	26.6
85.02820	9.2
85.06454	9.6
86.09621	22.4
87.04377	1.8
91.05414	26.9
93.06989	25.4
95.04909	14.2
95.08520	3.4
97.02796	12.8
97.06454	3.9
97.75872	1.8
99.08026	2.2
102.05468	4.4
103.05368	4.6
105.06983	27.9
106.07321	2.1
107.04921	3.2
107.08532	15.5
109.06464	15.6
110.07121	13.2
111.08025	3.9
115.03915	3.7
115.05478	2.0
117.06951	3.7
119.04888	11.9
119.08540	14.8
120.08036	9.0
121.06461	10.9
123.04353	1.8
123.08004	2.2
125.05971	2.5
127.07490	3.2
128.06169	7.6
129.06934	11.8
129.07779	1.7
129.10211	12.2
131.08510	8.9
133.06435	10.4
133.10107	4.1
135.08002	8.4
136.07521	3.6
137.05939	9.2
141.06955	8.2
142.07722	2.1
143.08554	15.2
145.06454	10.5
145.10217	3.0
147.08015	3.2
147.11685	2.1
149.05981	10.5
151.07486	2.8
153.06999	3.0
155.08531	13.9
157.06444	4.1
157.10046	8.4
159.08009	11.0
161.05907	9.2
161.09543	2.3
162.95006	1.9
163.07509	7.7
165.07028	8.2
167.07092	1.9
167.08501	10.3
169.06447	8.3
169.10010	4.1
171.06700	3.2
171.07996	25.1
173.05881	3.7
173.09425	2.7
175.07539	4.4
178.07730	3.3
179.08537	9.5
180.09311	4.0
181.06342	3.2
181.10081	12.4
182.07137	1.9
183.08014	8.8
183.11604	2.7
185.05919	2.8
185.09525	10.6
187.07567	4.5
189.09059	2.5
191.06914	2.2
191.08501	3.9
192.09332	4.6
193.10081	9.8
195.08008	10.8
195.11589	2.6
196.08940	2.2
197.05952	4.5
197.09541	16.0
198.06592	2.8
199.07436	8.5
199.11186	2.7
201.08951	3.2
201.12398	2.4
202.07742	2.7
203.08609	3.7
204.09320	1.9
205.09978	7.9
207.08105	4.6
207.11653	4.6
208.08839	6.8
209.09676	16.9
211.07515	8.5
211.11107	8.7
212.07910	2.2
213.08984	9.9
215.08601	3.3
215.10443	2.1
216.09251	7.7
217.10030	4.7
218.10788	3.8
219.08066	2.7
219.11638	7.6
221.09561	11.7
221.13104	3.1
222.10451	3.2
223.07457	4.1
223.11200	13.1
225.08968	13.0
225.12700	3.9
227.10582	2.9
228.09410	2.4
229.10143	7.0
230.10899	3.4
231.11557	9.5
233.09569	9.6
233.13216	3.0
234.10345	2.4
235.11107	16.7
237.08972	8.1
237.12708	4.3
239.10686	7.6
242.10933	3.9
243.11658	7.8
244.12396	6.7
245.09515	10.3
245.13216	9.4
246.10320	7.8
247.07483	2.7
247.11092	14.4
247.14778	2.6
248.11914	2.9
249.09045	7.5
249.12627	11.6
250.09860	2.9
251.10521	9.2
252.11412	2.9
253.12241	7.6
255.11684	3.0
256.12378	2.9
257.13120	8.8
258.10339	6.5
259.11124	11.1
260.11911	10.0
261.09155	7.5
261.12735	19.9
262.13153	3.1
263.10580	11.7
263.14151	8.1
264.11255	2.5
265.08456	2.8
265.12140	7.4
267.13812	3.4
269.13092	3.1
271.11105	3.3
271.14682	2.6
272.11896	8.0
273.12619	9.6
273.15701	2.5
274.09894	2.6
274.13321	8.1
275.10574	8.6
275.14246	13.6
276.11465	2.9
277.12173	13.6
277.15527	3.6
278.13098	2.3
279.10153	4.0
279.13666	9.4
282.13916	3.2
284.11835	2.5
285.09094	2.7
285.12634	8.0
285.16125	2.5
286.09766	2.2
286.13327	2.8
287.10614	7.4
287.14252	12.6
288.11133	2.7
288.14661	2.4
289.12186	14.3
289.15726	8.3
291.10403	2.5
291.13730	7.7
293.15424	2.9
298.13345	4.3
299.10721	2.8
299.14099	12.1
300.11349	2.7
301.12155	12.6
301.15649	4.2
303.13672	9.0
305.11649	4.5
305.15411	4.4
313.15738	7.5
315.13696	9.1
315.17349	6.9
317.11502	7.6
317.15009	4.6
319.13141	7.9
319.16763	2.9
323.13071	2.3
325.15732	2.8
327.13730	8.5
328.14423	2.6
329.15256	4.4
329.19016	3.5
331.13147	2.9
331.16888	4.2
333.14798	3.9
343.13168	3.2
343.16843	3.5
343.20499	3.6
345.14694	2.9
359.15967	9.5
361.18130	3.0
367.15509	2.8
369.18179	3.2
371.20166	8.0
375.19571	2.7
377.17398	7.6
379.15314	4.1
381.17905	2.5
389.20978	10.4
395.14664	2.6
397.16379	2.7
399.19647	14.8
407.18051	2.9
415.18750	8.6
417.20871	14.8
419.18387	4.3
427.18808	2.6
431.22134	3.6
433.19876	3.5
435.21658	4.0
437.19363	19.5
443.18558	2.3
447.21634	26.5
449.23328	16.0
459.21729	15.1
467.23746	2.4
475.21063	10.4
477.22681	55.1
478.22733	2.5
493.22180	15.2
495.16800	3.9
495.23672	100.0
496.23996	10.8
511.22989	32.1
513.24786	34.1
529.23730	2.8
539.22430	9.5
557.23676	18.2
610.92688	2.2
724.31323	29.4
725.31287	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	724.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66064	2.3
55.05440	9.8
56.04973	2.9
57.07008	9.5
57.20726	2.0
64.52085	2.2
67.05425	8.8
67.94413	2.0
69.03340	2.5
69.06978	4.8
69.81552	2.0
70.02860	2.3
70.06506	32.0
71.78208	2.1
72.08055	17.1
72.24148	2.2
78.75559	2.1
79.05437	3.0
81.06956	23.3
83.08533	6.0
84.04418	5.6
84.08070	34.4
85.02818	5.2
86.09621	21.1
91.05386	10.2
93.06980	17.7
95.08533	49.5
105.06969	40.8
107.08538	42.4
109.10112	48.5
110.07112	4.4
119.08540	51.0
120.08052	10.5
120.08812	2.6
121.10107	41.2
123.11674	24.1
129.10199	10.8
131.08545	22.2
133.10095	72.2
135.11639	22.6
136.07523	9.9
137.13245	4.1
143.08568	3.6
145.10085	31.8
147.11662	52.7
149.13231	26.6
157.10060	13.7
159.11656	39.0
161.13239	28.7
163.14806	21.9
165.12669	3.1
171.11610	19.2
173.13219	69.9
175.14751	15.6
177.16258	4.3
183.11598	3.0
185.13228	38.6
187.14795	39.2
189.16362	22.2
191.17978	3.5
193.12117	3.9
197.13248	5.0
199.14798	19.5
201.16347	24.7
203.17946	27.1
205.12227	3.3
205.15858	2.6
207.17351	4.4
211.14842	2.9
213.16357	12.8
215.17882	12.2
219.13719	31.4
225.16278	3.7
227.17880	3.3
231.13741	30.5
233.15326	15.2
239.17888	3.1
245.15277	17.3
255.20880	2.8
258.74100	2.5
259.16876	5.8
277.14270	2.7
291.15762	3.1
313.21591	11.0
393.31454	5.9
421.30850	23.1
427.28210	10.6
439.31937	9.9
467.31473	53.2
485.25586	3.6
485.32526	100.0
486.32513	4.7
526.35107	3.8
527.33771	24.3
658.42395	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	725.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81965	1.2
53.16355	1.2
55.05451	2.3
56.96493	1.3
58.92864	1.2
64.33790	1.3
66.71700	1.1
67.05423	16.9
69.06974	2.9
69.43359	1.2
79.05400	7.2
81.06968	11.8
81.21408	1.2
91.05409	9.3
93.06959	10.6
95.08532	10.6
105.06989	3.0
107.08540	8.4
109.10107	5.7
112.99934	1.7
117.49260	1.5
119.04897	10.4
119.08589	2.4
121.10073	4.9
125.02055	22.6
130.68301	1.4
133.10106	2.3
135.11687	1.5
147.04379	31.5
149.01266	2.1
167.02222	2.2
169.02567	11.9
177.64078	1.4
344.66946	1.7
372.24210	2.0
385.74985	1.5
595.46820	5.8
596.46967	2.7
597.48767	3.0
707.45660	2.5
725.39990	100.0
726.40399	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	726.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35410	0.7
55.01818	1.2
57.03377	22.8
59.04930	4.6
60.04451	1.5
61.02845	4.0
66.18128	0.7
69.03354	75.1
70.03687	0.9
73.02834	3.8
75.04398	4.4
81.03337	6.8
85.02831	100.0
87.03862	2.0
87.04395	56.8
91.03879	3.7
97.02827	62.5
99.04374	6.3
103.03870	1.6
109.02830	5.7
115.03889	65.0
127.03869	17.7
133.04938	58.9
145.04945	29.8
150.07602	5.3
163.05957	10.6
175.06091	1.1
184.99339	0.9
193.10649	1.9
203.71487	0.8
223.11703	11.0
241.07031	1.7
259.08124	10.0
260.08438	1.3
277.09146	1.3
295.10260	21.4
372.18542	2.0
733.48346	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00261	2.8
53.03881	2.1
53.57341	2.2
53.81101	2.0
55.01810	2.2
55.05454	69.0
57.03371	13.8
57.07016	38.8
57.44032	2.0
61.02856	45.9
65.22957	2.2
67.05431	69.5
69.03342	3.9
69.06991	85.8
69.20855	2.5
71.04904	4.2
71.08549	25.5
73.02818	17.4
75.46280	2.4
79.05418	28.2
81.06979	94.4
83.08539	66.5
85.02826	55.0
85.06487	2.9
85.10092	10.6
87.27845	3.0
91.03880	36.6
91.05405	4.3
91.40749	2.8
93.06976	38.1
95.07961	5.2
95.08533	100.0
95.09151	3.5
97.02824	27.9
97.06446	11.6
97.10103	47.1
107.08529	30.6
107.50323	2.4
109.10117	33.4
111.08017	5.6
111.11667	11.8
121.10102	51.4
123.11645	19.9
127.03838	4.8
135.11668	37.3
142.96820	2.5
145.05002	5.4
149.13258	21.1
158.67404	2.4
163.06053	6.3
171.27563	2.8
275.27237	22.4
293.28281	75.7
311.29312	5.4
367.32004	92.0
385.32968	71.0
497.52240	2.9
597.48224	15.7
666.59717	2.9
685.42694	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	726.5508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93286	1.0
55.05448	12.7
56.04967	6.6
56.27082	1.2
57.07014	2.0
60.04459	1.7
62.79056	1.0
63.44144	1.4
67.05423	23.2
69.06982	8.2
70.06494	1.7
79.05406	17.4
80.04927	2.7
81.05709	2.2
81.06969	22.8
82.06482	8.2
83.08518	7.6
83.81522	1.2
87.04366	1.6
91.05396	8.0
93.06957	16.2
94.06489	26.8
95.04848	1.4
95.07267	12.2
95.08522	18.4
96.08026	6.5
97.02752	1.3
97.10075	2.7
105.06970	9.3
107.08529	7.4
108.08055	5.5
109.10083	7.9
119.08540	9.3
121.10099	7.2
122.09603	4.8
133.10054	5.5
135.10439	1.5
135.11604	2.8
147.11601	1.5
168.79231	1.2
169.02342	1.3
234.65485	1.3
245.22517	2.9
250.25174	7.4
262.25226	100.0
263.25684	1.9
280.26233	7.2
305.33157	1.4
516.47217	1.8
528.47736	24.5
529.48126	2.1
530.48871	3.0
546.48663	20.9
597.48004	4.7
708.53827	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	730.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	0.2
54.42950	0.3
55.05233	0.2
55.05446	3.2
57.03360	1.3
59.04923	0.4
60.05563	0.4
65.03851	0.6
67.05424	8.2
68.05751	0.5
69.03339	3.8
69.06985	2.5
69.07296	0.2
71.04898	0.4
71.74100	0.3
77.00533	0.4
79.02079	0.3
79.05388	3.0
79.78031	0.3
80.05727	0.4
81.03323	2.3
81.06969	6.5
82.07301	0.6
83.04488	0.4
83.04893	5.1
83.08523	1.5
85.02823	2.3
85.50485	0.3
87.04358	0.5
91.05395	8.4
91.86773	0.3
92.05692	0.4
92.10934	0.6
93.06950	2.7
95.01556	4.8
95.04889	1.7
95.08511	3.9
96.08858	0.5
97.10068	0.4
103.05385	0.6
104.06187	0.7
105.06973	1.5
107.08527	2.8
109.03167	0.5
109.10039	1.0
111.04381	4.2
112.99955	1.4
113.02608	0.3
115.05350	0.3
117.06975	2.4
119.01525	0.4
119.08527	100.0
120.08857	3.3
121.10145	0.5
129.05431	1.2
133.06448	6.1
133.10071	0.5
135.08069	1.1
135.11623	0.3
143.05209	0.4
145.03148	0.4
145.10069	0.5
147.11578	0.5
153.00267	0.6
155.01866	3.4
156.99797	0.4
169.03487	0.3
171.01347	17.5
171.04604	0.5
171.11671	0.4
172.01314	0.5
185.02901	0.6
197.03000	0.4
199.11180	0.5
237.09657	3.3
251.11299	0.6
253.12509	0.7
263.11139	0.5
269.12042	0.4
271.13400	0.4
303.18097	3.0
303.21078	0.4
314.12543	0.3
381.18631	0.4
411.20084	0.5
417.22595	1.2
431.22827	1.4
497.20200	0.4
563.28278	1.4
599.49591	0.6
600.50690	4.1
601.51178	6.3
688.11072	0.3
699.37390	2.4
700.37097	0.5
730.43567	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55187	0.6
55.05446	5.5
56.04972	4.8
57.03360	0.8
57.07010	1.3
60.04456	100.0
61.04800	0.6
67.05433	7.1
69.00008	0.6
69.06986	6.3
70.06506	0.9
70.21033	0.6
72.04440	1.2
74.05979	3.2
79.05408	6.2
81.06978	9.5
82.06499	0.9
83.08530	4.8
84.08069	0.9
86.09637	2.6
90.05471	1.1
91.05408	4.0
91.45961	0.6
93.06985	4.9
94.06501	0.7
94.42431	0.7
95.04884	0.7
95.08533	8.8
96.08023	0.8
97.10101	2.2
105.06973	1.3
107.08563	3.4
109.10093	3.1
112.07533	0.8
119.08553	3.2
121.10118	1.3
133.10085	1.1
135.11700	0.7
149.02318	0.7
158.45627	0.6
175.11539	0.7
182.88286	0.6
184.07321	4.0
250.25240	2.6
259.09369	0.6
262.25278	1.1
268.26358	0.7
268.48276	0.6
280.26303	10.9
298.27301	9.5
303.11908	0.9
304.12332	1.0
307.10590	0.6
316.28394	73.2
317.28735	3.1
333.14786	0.7
437.19238	23.9
438.19620	26.0
439.19836	2.4
557.57727	0.7
727.93756	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00237	1.6
55.01811	1.3
55.05452	16.0
55.71358	1.0
56.05791	1.1
57.07016	50.5
59.04918	1.2
61.22005	1.2
62.07068	1.4
67.05421	24.2
68.05761	1.9
69.06983	14.4
71.08543	38.3
73.02803	1.5
73.06472	14.4
79.05405	9.8
81.06966	18.8
83.08521	10.1
85.10114	20.6
87.04392	13.1
89.05952	100.0
89.17561	1.2
91.05416	5.5
91.07536	1.4
93.06969	8.7
95.08533	14.4
97.10106	6.3
98.98380	2.7
103.60922	1.2
105.06964	2.5
107.06997	7.9
107.08529	2.7
109.10117	8.3
111.11633	2.1
112.99956	3.3
117.09082	6.3
121.10094	2.3
124.93678	1.5
127.14812	1.7
131.06969	2.2
133.08569	37.3
135.11668	1.8
148.18631	1.3
156.96310	2.3
168.56859	1.4
177.11171	14.1
209.43007	1.2
221.13818	2.7
299.29416	8.7
343.31989	1.6
600.49988	5.6
601.51794	23.5
713.54260	9.2
730.44543	1.6
730.57263	10.2
731.46368	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	731.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03377	0.2
57.25923	0.2
69.03330	0.4
85.02830	0.2
92.10403	1.0
92.10929	0.2
187.03644	0.2
192.77150	0.2
245.09895	0.4
376.13123	0.8
377.14087	100.0
378.14426	3.4
422.65112	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.377
Annotation	Glaucacyclopeptide B
Peak:m/z	Relative Intensity
53.57804	0.4
54.81427	0.7
54.81691	0.4
55.05453	3.8
56.04971	7.3
57.03361	0.8
58.06513	0.9
58.83978	0.4
58.96853	0.4
60.67408	0.5
65.25622	0.5
67.05413	1.0
69.06953	0.6
70.06200	0.6
70.06514	10.2
72.04412	0.5
72.07660	1.1
72.08064	34.8
74.05986	85.2
75.06295	0.5
82.06477	3.4
84.04429	11.5
84.08069	7.3
85.02827	0.7
86.05978	11.4
86.09618	6.7
87.05481	0.5
88.03920	0.5
92.10965	0.7
95.08535	3.8
99.09155	6.9
100.07533	0.6
101.07086	6.0
102.05470	13.7
109.10139	0.6
110.05981	2.7
110.07085	2.2
112.03900	1.0
112.08608	0.6
114.04713	0.9
114.05475	17.9
114.37184	0.5
115.08656	0.6
120.06523	0.6
120.08064	0.5
123.08013	2.7
127.08606	6.6
127.63797	0.5
129.06592	0.6
129.09344	0.5
129.10191	3.3
130.04935	2.1
137.07036	0.6
138.05446	1.9
138.09090	0.7
145.09686	27.3
149.09579	0.7
149.36215	0.6
155.08112	25.7
155.11716	0.6
156.10159	0.5
169.09726	4.7
169.13425	0.6
169.19264	0.5
171.07579	4.1
171.14880	3.0
173.09167	19.8
179.08154	0.8
183.11287	3.0
184.06029	3.3
187.10730	3.6
197.09172	100.0
198.09448	1.2
198.12375	0.8
199.14375	2.1
201.08673	14.6
201.12323	5.7
207.13818	2.5
215.08154	1.1
215.10211	28.6
215.12238	1.0
229.11731	1.9
240.13370	18.4
241.13573	0.6
242.11189	0.7
258.14365	3.2
268.12857	38.5
269.13058	1.2
274.13815	0.8
284.12195	1.0
286.13919	22.9
289.12793	0.6
300.15723	0.7
302.13367	9.1
347.12170	1.1
397.12289	0.6
397.17136	5.2
398.17850	0.7
401.20132	0.9
415.18115	52.3
416.18417	2.4
486.25513	0.6
500.27176	0.9
514.24963	41.0
515.25391	2.2
613.31946	4.2
635.45203	0.6
639.84698	0.5
714.35773	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00257	1.5
55.01798	1.7
55.05450	22.5
56.04964	6.4
57.07013	12.5
60.04455	100.0
60.04764	3.3
63.11541	1.1
67.05423	34.7
69.06985	25.1
70.06509	1.4
71.08541	5.5
71.50407	1.4
72.04427	9.0
74.05988	2.2
79.05403	20.3
81.03329	6.4
81.06968	35.9
82.06506	2.3
83.08533	15.4
85.10109	2.0
86.05999	3.2
86.09639	2.0
88.24603	1.3
90.05490	2.0
91.05408	20.2
93.06968	16.4
94.06502	8.3
95.04890	6.2
95.07301	2.1
95.08529	31.8
96.08030	1.7
97.06450	1.7
97.10097	7.9
105.06982	12.2
107.08523	7.9
108.08003	1.9
109.10099	11.9
109.58156	1.4
112.07584	1.5
119.08516	8.9
121.10083	6.8
122.09610	2.2
123.11663	3.0
133.10074	5.4
134.98128	11.9
135.11641	2.9
147.11609	2.1
184.07294	5.5
245.22609	2.5
250.25066	2.5
262.25238	38.1
263.23480	3.1
272.25787	3.3
280.26303	26.1
298.27164	11.2
314.26657	2.5
534.48639	12.6
552.49725	95.6
553.49780	10.3
570.50824	48.3
571.51208	2.6
599.49945	2.2
603.52246	2.5
621.48352	31.0
710.91663	1.5
733.47467	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	732.5612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00246	1.1
54.65897	1.0
54.81821	1.1
55.01807	1.3
55.05452	17.4
56.04966	6.4
57.03362	1.4
57.07017	10.5
58.06538	1.3
60.04455	100.0
61.73336	0.9
63.48177	0.8
65.03844	1.1
67.05426	39.6
68.04939	1.4
69.06992	24.1
70.06521	4.3
71.08542	3.9
72.04419	5.8
73.60719	1.0
74.05994	1.9
78.37405	1.1
79.05405	22.2
80.04919	1.6
81.03337	5.0
81.06972	37.6
82.06499	4.4
83.04899	2.2
83.08523	13.6
85.02796	1.1
85.10088	1.2
86.05994	6.5
86.07153	0.9
90.05475	4.6
91.05396	14.0
92.34808	1.0
93.06966	18.9
94.06503	7.1
95.04891	1.8
95.07266	2.2
95.08523	26.9
96.08069	4.3
97.06435	2.4
97.10098	7.6
98.05991	1.3
105.06966	10.6
107.08530	10.5
108.08041	1.8
109.06519	1.4
109.10098	10.4
110.09621	1.4
111.08035	1.9
111.11668	1.4
112.07561	1.1
119.08541	10.7
121.10071	8.5
122.09601	2.3
123.08059	1.2
123.11655	5.2
123.14184	1.0
133.10112	7.1
134.98152	12.0
135.11696	4.8
137.09549	1.8
147.11642	2.2
149.13249	1.3
161.13139	1.2
170.19048	1.3
184.07359	4.1
218.45622	1.2
219.20967	1.7
245.22595	2.6
250.25249	2.0
262.25220	34.1
263.23499	1.7
265.68304	1.0
272.25830	2.3
274.29434	1.2
276.43994	1.1
280.26334	23.8
298.27307	8.6
307.45789	1.0
314.26764	2.0
321.01572	1.1
460.97870	1.2
516.48035	1.1
534.48615	12.5
552.49774	86.6
553.49957	8.6
567.41510	1.2
570.50781	41.0
571.50989	4.0
602.52618	1.5
603.52899	1.5
621.48401	27.9
680.75604	1.2
733.47961	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	734.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21490	0.3
54.28843	0.3
55.05452	0.7
56.04961	2.7
59.28654	0.4
64.95632	0.4
70.06506	100.0
71.06857	0.7
72.08072	6.1
74.05978	0.6
79.95407	0.5
82.06505	0.6
84.04421	5.4
84.08060	41.9
85.02821	0.6
85.08421	0.5
86.09610	5.4
87.05519	0.7
91.05388	3.3
92.10336	0.7
95.04891	0.6
97.07593	2.3
98.05974	0.6
101.10734	0.5
102.05465	2.3
103.05408	2.4
105.03310	0.5
105.06985	2.0
107.04905	1.0
110.07096	3.3
110.09644	0.8
111.09151	3.4
112.07544	0.7
115.08627	5.0
116.07044	2.3
118.06490	5.1
119.04875	0.7
120.08052	4.4
125.07134	2.0
125.48887	0.5
129.10193	39.1
130.10565	0.9
131.04901	0.8
132.08067	2.3
136.07553	4.0
137.05933	7.0
137.10771	0.5
139.08658	2.1
146.05983	11.5
151.03999	0.5
151.07480	0.5
152.46458	0.5
153.41032	0.4
155.11812	0.5
157.09692	2.0
161.05989	0.9
162.05510	0.6
162.09224	0.7
163.07474	0.7
165.05461	0.6
167.06960	3.9
168.07401	0.7
172.11156	12.3
172.12479	0.7
174.05409	0.6
175.07579	0.6
179.11754	0.7
181.13428	0.8
181.26305	0.5
182.08080	0.6
186.12732	1.7
187.12329	0.5
189.10309	0.9
193.08624	0.5
195.11281	0.6
201.12271	0.5
212.10638	0.8
216.12498	3.2
217.09921	1.0
217.13248	7.0
219.08119	0.6
221.09558	0.6
222.12424	2.9
223.07558	2.1
229.13359	6.0
233.09250	2.9
236.10735	2.6
240.13362	4.4
243.11131	3.3
245.50459	0.5
254.14949	5.4
265.08554	0.7
279.10010	0.6
282.11252	2.7
300.17258	0.5
309.19135	0.9
337.18793	2.6
341.14651	0.7
368.15942	0.8
426.16501	2.0
452.02765	0.5
456.25882	1.0
482.23972	7.6
489.08395	0.6
495.22284	9.4
553.27515	1.0
733.46124	1.1
734.34918	33.2
734.45789	1.6
735.35254	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	734.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03877	1.4
55.01797	1.6
55.05447	9.2
56.04953	1.0
57.03361	5.8
57.07007	4.7
60.04430	1.2
60.67437	0.9
60.83558	0.9
61.02858	9.4
62.05207	0.7
63.93809	0.8
67.05412	2.0
67.49068	1.0
68.23634	0.9
69.03342	18.4
69.06983	10.6
70.06197	1.5
70.06510	23.8
71.04899	4.0
71.08540	4.3
72.08056	4.4
73.02829	1.9
81.03333	5.2
81.06967	5.3
83.08534	9.0
84.04424	4.6
84.08072	7.6
85.02825	100.0
86.09138	1.6
86.09624	23.1
91.03873	6.0
91.05369	1.5
92.10224	1.3
93.06969	4.8
95.08511	5.0
97.02821	24.6
97.10107	11.6
99.04402	2.0
103.03840	1.0
103.05409	1.4
105.06966	1.3
107.08530	4.6
109.02832	8.9
109.10127	3.5
110.07123	1.4
111.08004	1.7
111.11650	2.3
112.08607	1.5
115.03841	1.1
120.08051	9.8
121.10101	4.4
125.09563	1.9
127.03864	24.0
129.10159	4.2
131.04901	1.9
135.11638	2.3
137.05934	6.3
145.04916	24.8
153.16330	1.5
157.09653	1.5
163.05949	5.9
177.16328	14.3
195.17389	13.0
213.16489	1.7
213.18465	36.6
214.18713	1.2
231.19507	2.2
325.11212	7.0
733.88348	4.8
734.38739	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	735.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61987	0.7
53.09488	0.7
56.69372	0.6
56.96500	8.1
59.89128	0.7
61.81199	0.6
68.20799	0.8
70.06503	1.4
78.76279	0.8
79.05404	0.8
81.06897	0.9
93.06968	1.7
95.08566	1.1
98.97504	5.4
105.06966	4.8
107.08515	1.6
109.10059	1.3
116.98573	10.5
117.06973	0.8
119.08513	1.9
121.10108	1.2
131.08499	1.6
133.94749	0.8
134.99623	14.9
145.10103	1.0
146.99554	1.2
153.00659	3.6
173.04837	0.9
175.02797	1.3
191.05849	0.9
259.09869	1.5
261.11536	5.2
279.12595	6.4
285.11319	0.8
302.92892	0.8
311.13000	1.0
313.14664	4.6
331.15582	4.6
339.16226	4.1
347.15161	1.6
355.15509	0.9
357.17316	9.4
363.18207	1.2
375.18280	7.2
393.19321	18.6
399.18341	6.4
411.20380	19.0
417.19263	29.3
435.20444	100.0
436.20892	7.8
453.21478	22.1
454.22241	1.1
458.21985	7.7
459.21835	1.0
675.38995	2.0
693.39648	2.9
735.41394	29.9
736.40747	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	736.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69281	2.7
55.01812	4.8
55.27705	2.9
56.04973	2.8
56.43005	2.5
57.03366	4.3
61.02863	5.1
67.05425	3.1
69.03334	12.3
70.06514	24.3
71.04903	3.9
71.25780	2.8
72.08060	5.6
73.02827	40.8
73.06467	100.0
79.05401	6.6
81.03347	4.1
81.06985	3.1
84.04454	12.2
84.08066	14.2
85.02833	6.1
86.09637	14.7
90.25321	3.0
91.05392	6.3
92.10175	3.6
93.06948	4.3
97.02834	4.3
105.06984	18.1
109.06491	12.8
110.07105	4.3
119.04812	3.2
120.08056	3.6
121.06477	3.2
129.10210	4.9
131.08578	4.0
137.05951	7.6
155.08493	3.7
161.05989	3.2
165.07018	3.4
169.06421	4.3
171.07988	6.1
197.09624	6.2
207.11598	5.4
209.09596	5.1
213.08971	4.1
235.11253	6.2
243.11734	3.4
253.12354	3.4
263.10614	5.8
263.14368	3.0
265.12677	3.4
271.11319	3.7
277.12064	3.5
283.14804	3.8
289.12164	4.8
301.15640	3.3
305.15363	3.8
315.13480	3.3
319.13147	5.3
375.15622	4.0
397.16632	14.0
405.19952	4.1
407.18719	6.5
411.17929	15.7
415.19528	3.7
447.21744	3.5
475.21268	3.6
483.23724	12.8
493.22058	4.9
507.23386	23.3
525.24799	77.9
526.25214	6.8
569.23755	31.5
736.31561	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	736.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14624	1.3
53.03879	1.3
55.01792	1.7
55.05444	1.5
57.03164	1.1
57.03373	16.7
64.24804	1.2
67.05417	6.9
69.03341	16.4
69.07001	2.3
69.47320	1.2
71.04917	2.5
73.02838	27.2
73.06467	100.0
74.06808	1.4
74.98346	1.5
79.05410	11.0
81.03346	2.8
81.06973	8.0
85.02846	1.5
91.05396	3.7
93.06968	2.0
95.04887	3.0
97.06484	5.6
103.65167	1.5
105.06958	13.7
107.08545	7.0
109.06466	12.0
112.50662	1.3
119.04886	2.3
119.08536	1.6
121.06441	3.0
123.07994	1.9
129.06972	2.0
129.09122	1.6
131.08560	2.7
133.06406	5.2
143.08575	2.0
145.06456	2.0
154.07742	1.5
155.08481	3.1
157.06451	1.7
159.07980	2.1
161.05830	2.2
163.07518	1.9
163.32533	1.4
171.08022	10.4
179.08437	1.5
181.10066	3.4
183.11861	1.8
185.09645	1.5
187.07498	1.8
192.09430	1.8
193.10042	2.3
195.07985	3.2
195.11655	1.7
197.05891	1.7
197.09592	8.5
199.07486	2.8
207.07932	1.9
209.09605	5.8
210.10135	1.7
211.11200	2.7
216.09332	2.0
217.10152	1.8
221.09612	2.9
222.10310	1.7
223.07507	2.1
223.11053	7.8
224.08194	2.3
225.09033	7.4
233.09534	5.8
235.11183	6.4
237.09061	3.3
239.10620	6.7
243.11678	2.5
245.09688	2.4
245.13112	2.0
246.10443	1.9
247.11122	7.5
248.12102	1.8
249.09114	2.4
249.12625	2.3
251.10588	6.6
253.12135	5.4
256.12369	1.8
257.09534	2.7
257.13153	2.0
258.10434	1.7
259.11053	5.8
261.08969	1.9
261.12747	2.0
262.13373	1.7
263.10693	6.7
263.14297	2.2
265.12076	1.9
271.11328	2.3
272.11743	2.6
273.12723	8.6
275.11072	1.6
275.14059	3.1
276.11194	2.1
277.12149	5.9
284.11740	2.3
285.12674	5.9
287.14331	2.5
288.11398	1.8
289.12103	7.2
289.15631	1.7
291.10571	1.7
291.13696	7.5
299.14133	3.7
301.12088	2.5
301.15698	6.9
303.13763	3.0
305.11877	2.3
305.15302	5.3
315.13629	2.5
317.11694	2.4
317.15366	2.0
319.13272	5.7
323.16467	2.3
327.13541	2.0
328.18704	1.5
329.11548	1.9
333.14761	2.1
337.14508	2.1
345.14700	1.9
361.17966	2.8
365.17255	2.2
369.18436	2.6
397.16299	11.4
407.18329	6.5
411.17841	19.3
415.18787	2.3
433.20163	2.1
447.21558	6.7
457.19687	1.9
465.22452	6.4
475.20822	8.9
476.20905	1.6
483.23676	15.0
491.20251	2.1
493.22037	6.3
507.23569	25.6
509.21887	2.7
523.23706	1.9
525.24689	75.5
526.24939	9.6
541.24023	1.9
551.22705	2.7
569.23730	32.4
570.23944	3.1
639.28180	2.8
736.31177	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	736.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10224	1.8
55.01820	2.0
55.05439	2.5
56.04195	1.9
56.04973	12.6
60.04460	2.4
63.59087	1.5
69.03333	3.7
70.06510	74.4
71.06865	1.8
72.08073	31.8
74.05982	3.2
77.43993	1.7
79.05424	3.0
81.03353	2.1
83.06031	2.5
84.04442	27.9
84.08073	42.1
85.02834	10.2
86.09629	34.6
87.98558	1.8
88.03930	2.2
91.05414	23.4
92.33968	2.0
93.06960	2.6
95.04932	6.4
97.02811	4.1
102.05479	12.3
103.05383	17.2
105.06967	10.5
107.04899	11.2
109.06451	2.4
110.07108	13.8
115.05421	5.0
116.07143	2.6
117.06990	4.6
119.04901	16.3
120.08067	20.2
121.06463	9.5
122.03632	2.9
123.04419	3.6
123.08004	2.6
127.04935	2.3
128.06137	3.9
129.06985	23.4
129.10216	22.7
131.04875	28.8
131.08562	9.9
131.38541	2.0
133.02893	2.0
133.06441	9.3
133.10165	2.1
135.04347	2.4
136.07509	2.9
137.05952	94.8
138.06340	3.2
141.06958	8.3
145.06506	2.4
145.25366	2.1
147.04391	12.8
149.05910	8.6
151.03882	7.7
151.07491	17.3
157.06516	17.1
158.07300	3.1
159.07980	13.2
161.05948	59.9
161.09572	11.1
162.06447	3.3
163.07491	31.5
167.06989	7.2
167.08315	2.7
169.06448	8.0
173.05849	2.7
174.06763	27.7
175.07500	25.3
177.05464	3.8
177.09079	22.4
181.04912	2.6
183.11182	2.6
183.15015	2.0
187.07533	4.2
188.08385	2.4
189.09074	50.1
190.09477	2.5
191.07001	2.9
191.08542	3.5
193.06555	2.9
195.08096	2.6
195.09990	3.0
199.07390	2.6
201.09077	16.4
201.12329	2.2
205.06433	2.4
207.08368	2.3
207.10173	13.5
211.07568	2.3
219.08006	11.6
219.10089	100.0
221.05968	3.8
222.06717	2.3
223.07277	2.3
225.09059	3.5
237.08998	4.7
247.07542	3.6
248.08293	3.0
251.07059	3.0
252.07632	2.1
253.08588	12.3
265.08594	13.3
267.10086	3.4
269.08249	2.7
269.11685	2.6
270.08835	4.1
277.08545	2.3
279.10086	9.6
285.11185	3.9
297.11102	15.7
309.11194	2.8
311.12704	12.8
313.14526	2.7
323.12634	2.4
329.13641	14.9
331.15222	3.2
337.14160	4.2
341.13931	10.1
355.15323	10.6
356.15976	2.4
367.15396	4.0
399.03967	2.5
422.67322	2.3
479.20499	4.6
509.21661	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03869	0.7
55.01803	1.2
56.04964	1.0
57.03354	0.8
60.04433	1.0
65.03862	9.5
67.05411	1.2
69.03343	2.7
70.06508	10.3
72.08071	6.0
74.05999	1.0
82.04131	1.3
84.04415	4.6
84.08073	6.4
85.02828	2.8
86.09617	6.3
87.04399	0.9
91.05415	5.8
93.03304	1.3
95.04890	3.7
97.02830	1.0
97.06457	1.1
102.05495	0.7
103.05405	21.0
104.05743	0.8
105.06942	1.4
107.04912	5.3
110.03619	12.5
110.07117	3.8
111.04391	16.9
115.05396	2.5
117.06955	1.4
119.04885	3.1
120.08035	2.9
121.02830	9.5
121.06432	1.3
121.24334	0.7
122.03572	2.8
123.04395	1.0
125.05959	17.2
129.06953	1.5
129.10188	3.7
131.04895	42.2
131.08475	1.0
132.05185	1.4
133.02852	1.3
133.06418	1.3
133.80782	0.7
135.04398	0.9
135.07980	1.1
136.07613	0.8
137.05952	22.1
137.06938	1.3
138.03098	1.0
145.06459	3.0
146.07162	0.9
147.04396	5.0
149.02315	4.6
149.05946	3.4
151.03874	1.3
151.07506	4.7
153.05446	26.0
153.06664	1.5
154.05771	0.7
159.08012	1.6
160.05190	0.9
161.05948	15.5
161.09509	5.3
162.06670	1.2
163.07506	40.3
164.07965	1.0
165.05415	0.7
165.06998	0.8
167.07072	8.2
167.08360	1.4
174.06760	1.0
175.07515	5.8
177.05424	0.8
177.09074	1.5
178.07787	1.5
179.07007	1.6
181.04924	2.4
181.06389	1.0
181.08543	2.6
182.07242	1.2
183.07870	1.0
187.07500	1.2
188.08289	0.9
189.09082	8.3
191.06969	1.3
193.08536	0.8
193.10098	0.8
195.08099	4.6
197.05968	1.3
197.09459	1.1
203.08699	0.8
206.07098	0.8
207.08295	1.2
207.10115	6.4
209.05913	0.9
209.09677	2.4
210.06798	3.1
210.10251	0.8
211.07526	2.6
212.08340	1.5
219.08125	1.3
219.10075	10.7
221.05885	1.4
221.09569	3.4
222.06598	1.0
222.10352	1.2
223.07481	5.7
223.11105	1.0
224.08264	1.7
225.09030	4.9
227.06931	2.5
227.10629	1.2
234.06706	2.4
235.07518	1.3
236.08096	0.9
237.09038	1.6
238.06088	4.7
238.09785	6.5
239.06955	4.0
239.10564	2.7
240.07724	11.7
241.08354	3.8
249.05301	1.3
249.08977	3.9
249.11214	1.1
250.09766	0.9
251.07018	1.6
251.10548	1.7
252.07721	4.4
253.08546	21.0
253.12236	6.8
254.09079	5.1
255.06424	2.9
255.10088	7.5
256.06927	0.8
257.08063	1.2
263.07019	0.8
265.08484	3.5
266.05588	1.1
266.09271	4.1
267.06555	2.7
267.10068	5.0
268.07220	4.7
268.10684	0.8
269.07968	4.7
270.08652	3.2
271.13165	1.0
277.08740	0.8
278.09177	0.9
279.10028	1.4
281.08014	8.2
281.11652	6.9
282.08810	2.8
283.09567	12.3
283.12903	1.6
284.10260	4.5
285.11154	5.4
285.14673	3.1
294.08749	1.3
295.09543	4.3
296.10275	1.0
297.11111	3.2
298.08316	1.4
298.11899	2.9
299.09473	1.2
299.12711	8.5
300.09830	1.3
300.13669	0.7
309.11093	10.1
310.11853	4.0
311.12390	0.9
313.10608	14.7
313.14243	6.3
323.13080	0.8
326.10941	1.1
327.12192	36.3
328.12872	4.9
331.15442	6.7
339.12048	1.7
340.12442	0.7
341.13574	6.6
343.15317	2.7
355.15430	1.2
359.14816	100.0
360.15082	7.0
361.16336	5.8
371.14908	7.1
389.15900	3.0
523.23022	2.7
553.23907	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10224	1.8
55.01820	2.0
55.05439	2.5
56.04195	1.9
56.04973	12.6
60.04460	2.4
63.59087	1.5
69.03333	3.7
70.06510	74.4
71.06865	1.8
72.08073	31.8
74.05982	3.2
77.43993	1.7
79.05424	3.0
81.03353	2.1
83.06031	2.5
84.04442	27.9
84.08073	42.1
85.02834	10.2
86.09629	34.6
87.98558	1.8
88.03930	2.2
91.05414	23.4
92.33968	2.0
93.06960	2.6
95.04932	6.4
97.02811	4.1
102.05479	12.3
103.05383	17.2
105.06967	10.5
107.04899	11.2
109.06451	2.4
110.07108	13.8
115.05421	5.0
116.07143	2.6
117.06990	4.6
119.04901	16.3
120.08067	20.2
121.06463	9.5
122.03632	2.9
123.04419	3.6
123.08004	2.6
127.04935	2.3
128.06137	3.9
129.06985	23.4
129.10216	22.7
131.04875	28.8
131.08562	9.9
131.38541	2.0
133.02893	2.0
133.06441	9.3
133.10165	2.1
135.04347	2.4
136.07509	2.9
137.05952	94.8
138.06340	3.2
141.06958	8.3
145.06506	2.4
145.25366	2.1
147.04391	12.8
149.05910	8.6
151.03882	7.7
151.07491	17.3
157.06516	17.1
158.07300	3.1
159.07980	13.2
161.05948	59.9
161.09572	11.1
162.06447	3.3
163.07491	31.5
167.06989	7.2
167.08315	2.7
169.06448	8.0
173.05849	2.7
174.06763	27.7
175.07500	25.3
177.05464	3.8
177.09079	22.4
181.04912	2.6
183.11182	2.6
183.15015	2.0
187.07533	4.2
188.08385	2.4
189.09074	50.1
190.09477	2.5
191.07001	2.9
191.08542	3.5
193.06555	2.9
195.08096	2.6
195.09990	3.0
199.07390	2.6
201.09077	16.4
201.12329	2.2
205.06433	2.4
207.08368	2.3
207.10173	13.5
211.07568	2.3
219.08006	11.6
219.10089	100.0
221.05968	3.8
222.06717	2.3
223.07277	2.3
225.09059	3.5
237.08998	4.7
247.07542	3.6
248.08293	3.0
251.07059	3.0
252.07632	2.1
253.08588	12.3
265.08594	13.3
267.10086	3.4
269.08249	2.7
269.11685	2.6
270.08835	4.1
277.08545	2.3
279.10086	9.6
285.11185	3.9
297.11102	15.7
309.11194	2.8
311.12704	12.8
313.14526	2.7
323.12634	2.4
329.13641	14.9
331.15222	3.2
337.14160	4.2
341.13931	10.1
355.15323	10.6
356.15976	2.4
367.15396	4.0
399.03967	2.5
422.67322	2.3
479.20499	4.6
509.21661	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	737.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51099	0.6
55.01804	1.9
56.10178	0.7
68.99702	1.3
69.03356	0.9
69.47368	0.7
70.06503	1.4
84.04414	1.5
85.02823	1.2
86.17490	0.8
88.43983	0.7
97.02805	1.0
98.50323	0.8
99.37081	0.8
104.31155	1.1
105.03306	0.8
111.04383	3.4
115.03886	0.8
122.02658	0.9
123.04398	13.5
135.04381	12.8
139.03870	100.0
147.04378	3.3
151.03900	6.0
153.06963	1.1
159.04431	1.1
161.05977	1.3
163.03860	10.9
173.05959	1.1
176.86926	0.9
179.03383	8.3
181.06445	1.2
185.05977	1.0
188.03773	1.3
189.05447	4.2
203.03464	1.9
206.04817	4.4
209.06065	1.1
213.05489	3.5
215.03377	1.7
215.06946	0.9
217.04857	4.3
229.04898	1.4
235.13460	0.9
237.05424	3.1
241.04904	1.4
245.04463	5.9
255.06416	5.9
256.06540	1.2
257.04318	3.6
259.05984	3.3
263.05450	1.1
269.04315	1.9
271.05933	5.2
283.05927	18.8
287.05310	7.5
291.08542	3.6
299.05411	7.2
301.06992	12.6
311.05621	1.3
413.10333	0.9
421.09323	6.4
439.10016	10.8
591.15369	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	737.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06517	4.2
59.92572	2.2
67.05411	2.7
71.81121	2.8
74.09621	4.9
81.06955	4.5
100.99580	2.1
122.09730	2.5
134.98128	2.3
163.50052	2.6
178.32582	2.4
202.22832	2.2
236.14850	11.8
262.25116	11.3
315.55115	2.3
425.21558	3.0
439.58157	2.6
654.20825	2.6
736.48346	3.9
736.60748	9.3
737.32831	100.0
737.46399	5.0
738.33459	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	738.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01807	1.7
61.01462	0.2
65.03863	0.4
67.01772	0.3
67.05423	0.4
68.99695	2.2
69.03340	0.5
74.00583	0.4
78.42052	0.2
83.04881	0.4
84.04414	0.4
91.15706	0.2
93.03326	0.3
95.04880	0.5
97.02811	0.3
107.04891	0.4
109.02861	0.3
111.04385	3.7
112.68050	0.3
119.04823	0.2
120.99518	0.6
123.03477	0.4
123.04374	11.6
124.04743	0.4
127.03838	0.5
129.06912	0.3
130.04947	0.3
131.04872	0.5
133.02878	0.3
134.50697	0.3
135.04373	10.8
136.04727	0.5
139.03871	100.0
140.04207	6.9
140.97258	0.2
141.01863	0.3
141.06984	0.3
145.06506	0.5
147.04376	1.5
149.05981	0.4
151.03870	3.7
153.06960	1.5
157.06435	0.5
159.04356	1.4
161.02335	0.4
161.05920	1.2
163.03851	10.5
164.04201	1.5
165.05486	0.5
169.06494	1.0
173.05965	1.1
175.03876	1.4
177.05438	1.1
179.03337	5.9
179.04768	0.4
180.03618	0.4
181.06467	1.5
185.05945	1.4
187.03882	2.1
188.03708	0.9
189.05403	3.1
191.03311	0.4
193.05101	0.3
197.05946	1.1
199.07590	0.4
201.05457	1.2
203.03304	2.1
203.06932	0.4
204.03444	0.3
206.04813	2.4
209.05968	1.0
213.05420	2.5
214.05745	0.5
215.03368	1.8
215.07016	0.4
217.04973	1.9
227.06973	1.8
229.04881	2.5
231.06490	0.4
237.03224	0.3
237.05524	1.2
241.04820	1.8
243.06502	0.3
245.04388	4.0
253.04858	0.3
255.06464	5.0
256.06760	0.5
257.04361	2.0
259.05951	2.3
263.05493	1.0
265.04855	0.4
269.04385	1.7
271.05948	1.8
273.07538	0.6
283.05936	13.5
284.06314	1.7
287.05405	4.1
291.08524	3.2
292.08920	0.4
299.05457	4.0
300.05597	0.4
301.07007	16.3
302.07309	2.8
303.08838	0.3
311.05405	1.3
361.23776	0.3
411.10388	0.3
413.10547	0.3
421.08997	5.1
439.10153	6.4
440.10785	0.6
591.14667	4.1
592.14728	1.0
691.02765	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01802	3.0
56.04961	3.2
57.03380	19.3
59.37487	2.1
67.05413	4.9
69.03354	21.6
69.06987	3.6
70.06501	14.2
71.04926	7.8
73.02837	17.0
73.06467	100.0
76.56580	2.8
79.05399	12.6
81.03320	11.7
81.06955	11.4
84.04422	4.9
84.08068	12.2
85.02797	2.6
86.09604	12.2
91.05389	9.8
93.06965	9.5
95.04882	14.9
95.08488	2.6
97.06444	11.2
105.06972	12.1
107.08545	4.2
109.06477	19.1
110.07127	5.2
110.10366	2.3
117.06916	4.3
119.08524	3.1
121.06449	11.8
122.61352	2.3
123.07983	4.6
129.06931	3.9
129.10190	2.9
131.08507	2.9
133.06453	3.6
135.08061	9.8
137.05966	4.4
141.06960	2.0
143.08565	3.0
145.06511	4.9
149.05975	3.5
155.08495	9.4
157.06451	9.9
159.08055	3.3
161.05930	3.6
163.07468	2.6
165.06903	3.3
167.10622	2.8
169.10188	2.7
171.08015	4.3
173.09558	4.3
179.08496	8.9
180.93970	2.1
181.06369	3.6
181.10033	5.4
183.08000	2.6
185.09595	2.4
191.08516	3.4
192.09317	9.5
193.10008	3.8
195.07991	10.0
197.09552	10.6
202.07817	3.4
203.08478	8.4
204.09268	2.8
205.10197	3.7
207.08058	3.8
207.11649	3.8
208.08719	3.3
209.09529	11.0
209.13264	3.7
211.07553	3.6
213.09003	3.8
215.08530	4.3
217.10081	4.4
218.10806	4.7
219.11589	3.9
221.09558	12.7
222.10216	2.7
223.07468	2.7
223.11253	3.6
225.09137	3.9
225.12617	3.4
229.10057	4.3
231.11670	8.4
232.08752	3.3
233.09541	8.9
233.13081	4.5
235.11125	14.8
237.09056	9.6
237.12701	12.2
239.10745	3.3
243.11644	5.1
244.12349	3.1
245.09448	5.5
245.13206	8.6
247.11121	12.9
249.08942	2.2
249.12688	4.1
250.09805	2.5
253.12184	3.8
257.09613	3.3
257.13138	2.7
258.10455	4.0
259.11057	8.9
261.09195	2.4
261.12640	11.8
262.10065	2.7
263.10641	8.3
263.14191	9.2
265.12122	9.1
271.10971	3.4
272.12100	4.0
273.12576	11.7
275.10397	3.4
275.14099	8.4
277.12161	2.5
281.11624	3.5
283.14572	3.4
284.11942	2.7
285.12607	9.3
285.15775	2.5
286.13431	2.8
287.14124	4.9
289.12003	3.5
291.13678	5.3
293.15393	2.8
296.11810	3.4
301.12198	3.8
301.15683	2.6
303.13806	10.2
305.11661	2.9
307.13150	3.1
311.14093	3.0
317.15305	3.3
319.13287	3.0
325.14328	5.3
327.13766	4.0
345.14691	2.4
349.14240	3.9
359.14780	14.3
363.15701	3.9
371.20123	2.7
379.15305	4.0
381.18405	6.8
399.18958	3.1
413.20435	2.7
431.21957	3.9
447.21518	4.6
449.22971	5.5
459.21246	4.0
465.22437	9.1
475.20975	13.6
477.22760	4.9
482.24710	2.6
491.24268	4.5
492.59067	2.7
493.22144	20.9
503.20389	3.9
507.23514	9.1
509.25110	30.7
511.22946	10.6
525.24573	16.0
527.26636	16.1
535.23260	22.9
543.25488	16.3
553.24341	39.3
554.23505	2.9
571.17041	2.9
571.25256	53.2
572.25806	4.9
738.33636	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	738.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03879	0.4
55.01797	0.6
55.05452	1.5
56.04963	1.7
57.03351	0.6
58.88267	0.3
60.04448	0.9
60.08779	0.3
65.03860	0.4
65.42977	0.4
67.05418	0.6
69.03334	2.8
70.06140	0.7
70.06503	15.2
71.06829	0.6
72.08064	9.0
73.02771	0.4
74.05983	0.7
79.05405	1.0
81.03343	0.6
81.06973	0.4
84.04423	4.3
84.08058	8.9
85.02812	2.6
85.08436	0.4
86.06040	0.4
86.09618	6.8
88.03893	0.7
91.05398	7.0
91.39507	0.3
94.04111	2.1
95.04881	1.9
95.08534	0.5
97.02824	1.5
100.11174	0.6
102.05458	1.9
103.05399	8.3
105.06961	3.7
107.04891	2.5
109.02815	0.5
109.06496	0.8
110.07089	2.4
111.04388	0.7
111.43261	0.4
112.08667	0.5
115.05379	1.6
115.08578	0.5
117.06964	0.9
117.35251	0.4
119.04877	3.7
120.08023	2.4
121.06422	2.3
122.03594	5.8
123.04375	0.6
123.07980	0.4
127.08656	0.5
128.06151	0.8
129.06946	1.8
129.10179	4.2
130.04936	0.5
131.04886	17.9
131.08528	1.6
132.05228	0.5
133.02834	2.8
133.06442	6.0
135.04385	0.9
135.08000	2.2
136.05162	0.5
136.07542	2.9
137.05942	100.0
138.06300	2.6
139.08551	0.4
141.06906	1.7
143.08554	0.7
145.06436	2.9
147.04369	4.2
147.08032	0.4
147.11287	0.4
149.05972	3.3
151.03864	0.9
151.07510	11.8
153.05350	0.5
157.06403	2.5
159.07948	1.9
160.05151	1.8
161.05951	9.1
162.06688	1.0
163.06143	0.7
163.07500	16.8
164.07843	0.5
165.06908	0.6
165.09026	1.4
167.06984	2.0
167.08385	0.6
171.07983	1.6
173.12752	0.5
174.06699	2.6
175.07510	12.8
177.05406	0.5
177.09059	1.8
179.07016	1.8
181.08458	0.5
182.07278	0.6
187.07451	4.7
188.08327	0.7
189.09016	5.3
191.06996	0.8
194.07214	0.9
195.08022	1.8
196.04613	0.4
199.07346	0.6
201.09013	2.9
203.10631	2.3
205.10092	0.5
207.07912	0.5
209.09618	0.6
211.07434	0.6
212.08167	0.7
213.09035	0.9
218.07173	0.5
219.08138	0.8
219.10133	2.8
221.05917	0.6
221.09465	0.4
223.07323	0.7
225.08952	1.8
227.10532	3.0
233.09546	2.4
235.07364	0.6
237.08992	0.9
239.10448	0.6
249.09032	0.7
251.10651	0.5
253.08568	1.0
253.31284	0.5
255.10042	1.0
257.11612	0.6
261.09076	0.9
263.10645	0.6
265.08511	0.8
265.12006	0.5
267.10052	0.9
275.10434	0.5
277.08630	0.5
279.09995	0.6
283.13306	0.5
285.11218	1.7
287.12729	2.7
295.13211	1.6
297.11252	1.7
299.12622	0.9
307.12827	0.5
311.12747	2.1
313.14398	0.6
325.14212	1.7
327.15814	3.0
337.14166	0.9
351.15674	4.0
358.99747	0.4
369.16904	2.6
381.17035	2.9
397.16443	1.7
398.16711	1.9
399.16730	0.5
443.18631	0.6
475.20847	2.2
493.22260	6.4
505.21942	1.7
738.35620	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	739.6057
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78733	0.7
61.19683	0.8
63.62756	0.8
73.88158	0.7
80.42973	0.8
81.06964	1.2
103.03364	0.9
103.10037	0.9
113.17657	0.9
115.13038	0.9
130.40009	0.9
192.71225	0.8
255.49847	1.0
279.71817	0.9
381.29672	100.0
382.30127	4.2
556.37134	1.0
721.44897	1.0
739.44458	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	13.7
56.04964	3.7
57.06993	3.0
62.23352	1.6
62.69861	1.5
67.05418	22.5
67.09968	1.5
67.61556	1.4
68.37002	1.5
69.06971	10.8
70.06502	2.5
71.08527	1.7
71.55287	1.5
73.01421	1.5
79.05419	13.0
80.04936	2.6
81.05688	2.7
81.06961	16.3
82.06487	10.6
83.08529	7.5
85.02788	1.7
91.05396	14.7
93.06958	11.0
94.06492	26.5
95.07265	10.5
95.08507	14.0
96.08026	2.8
97.10114	2.6
98.05959	2.4
105.06952	10.1
107.08516	3.6
107.74993	1.8
108.08045	3.0
109.10069	7.9
119.08510	8.8
121.10082	9.2
122.09571	2.7
133.10085	4.1
135.11609	2.9
168.13904	1.9
213.23581	1.9
245.22661	3.3
250.25240	10.6
262.25229	100.0
263.25656	2.8
280.26154	8.0
306.27844	19.3
308.29251	3.2
439.37439	1.9
530.48932	7.9
542.49390	22.1
560.50153	21.3
722.55133	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	741.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04977	1.7
57.96835	0.7
58.02898	0.8
60.04454	1.1
61.50527	0.8
69.06995	1.3
70.06509	26.2
70.06892	1.0
72.08068	9.0
73.06464	1.3
84.04408	6.6
84.08071	17.2
85.02844	1.2
86.09629	15.0
87.27853	0.9
88.89459	0.8
91.05400	1.6
96.54263	0.9
97.23689	1.1
102.05467	1.1
103.05406	1.7
105.07052	0.9
107.04932	1.1
109.06474	1.1
110.07133	5.5
112.08710	1.0
119.04844	1.2
120.08093	8.3
127.03612	6.7
129.10222	7.1
131.04938	2.1
136.07593	1.4
137.05984	5.1
138.69733	0.9
159.09180	1.1
173.70215	1.0
187.14487	1.0
194.99277	1.2
218.69279	0.9
361.23218	1.0
364.12512	1.2
367.11887	1.2
379.11346	1.8
382.14117	2.1
394.14063	4.2
397.12589	4.5
412.14786	7.7
741.27112	100.0
742.26910	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	741.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76881	1.2
56.04966	2.1
56.29545	1.2
63.47619	1.3
69.03356	2.0
69.06980	2.4
70.06509	14.8
72.08065	3.5
73.06453	16.0
79.05415	1.5
84.04436	5.8
84.08058	13.0
86.09631	13.0
91.05411	2.3
92.10268	1.9
95.04892	1.9
97.06474	3.8
102.05473	2.2
103.05417	1.5
103.91598	1.6
105.06992	6.3
108.23339	1.6
109.06461	2.0
110.07136	3.1
113.07056	1.7
119.04893	2.0
123.07948	1.7
129.10188	7.2
145.06488	1.9
163.07491	5.6
170.07086	1.5
171.08037	2.8
173.04259	3.0
173.05998	7.2
185.05856	1.9
187.07469	1.8
209.79829	1.5
219.11859	1.8
223.07549	1.4
225.09210	1.5
235.11243	1.8
259.11243	1.7
261.12732	1.9
263.10626	1.9
265.12460	2.2
271.11752	1.4
271.15106	1.6
277.12180	2.6
319.13361	2.1
338.17249	1.9
382.81662	2.2
383.14606	1.9
529.21600	3.5
547.22955	14.3
549.24390	18.0
697.28119	46.3
698.27948	2.9
741.27136	100.0
742.27576	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	741.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82856	2.7
56.04977	3.0
56.96492	17.1
63.58095	2.9
65.91290	2.6
70.06508	37.7
72.08067	13.7
80.17121	3.4
84.04417	14.7
84.08051	34.2
84.95943	5.0
85.02799	3.8
86.09618	23.6
91.05363	3.9
94.44464	3.1
98.97524	33.9
102.05494	6.5
105.06944	5.0
110.07097	4.7
110.97478	4.9
115.29778	2.8
116.98558	51.9
128.98532	12.9
129.10170	6.0
131.05002	4.1
134.99625	27.5
136.07527	5.2
137.05894	3.2
137.71968	3.1
146.99649	24.1
158.99603	7.1
162.99039	4.8
173.05595	2.9
177.00658	19.9
189.00737	4.5
195.01698	3.8
219.01761	20.7
237.02722	42.5
255.03976	4.6
261.11169	3.2
331.03256	4.4
353.17862	3.6
357.17233	12.8
375.18283	17.0
391.17685	5.9
393.19220	28.3
399.18219	4.5
411.20435	18.9
415.17694	4.5
417.19217	19.1
435.20590	5.3
459.20566	4.0
501.21640	21.0
517.20898	3.9
519.22815	31.4
633.25281	5.9
681.16956	4.2
681.27844	100.0
682.28406	5.2
696.49451	3.4
741.29871	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.5927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	7.9
56.04968	3.3
57.07016	1.9
58.09205	1.2
60.04427	2.4
61.26509	1.2
67.05428	17.4
69.03314	1.8
69.06981	10.1
69.07951	1.3
70.06501	2.4
71.08544	1.9
74.90948	1.5
79.05405	13.7
80.04917	3.0
81.06964	13.1
82.06512	11.4
83.08536	3.5
85.02811	5.8
88.70406	1.6
91.05394	11.2
93.06981	15.0
94.06499	24.5
95.04862	1.6
95.07284	13.1
95.08531	10.7
96.08061	6.5
97.10100	2.0
103.28345	1.6
105.06970	8.1
107.08530	6.8
108.08014	2.1
109.10106	5.9
119.08569	6.0
121.10081	8.0
122.09614	2.1
123.11625	1.4
133.10072	2.9
135.10541	1.5
135.11678	3.6
147.11688	1.8
233.05167	1.4
245.22598	1.7
250.25197	9.2
262.25232	100.0
263.25522	7.4
280.26334	6.0
395.18430	1.6
516.47522	20.8
518.49780	2.6
534.48682	20.7
696.54047	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	747.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79123	0.1
55.54990	0.1
57.21597	0.1
57.27595	0.1
61.55975	0.1
65.01042	0.1
71.52209	0.1
77.41557	0.1
89.55807	0.1
91.69000	0.1
103.60809	0.1
105.78830	0.1
113.23603	0.1
119.08543	0.3
123.39208	0.1
135.58078	0.1
185.06456	0.1
199.52605	0.2
230.07707	0.1
243.14388	0.7
261.15518	0.2
280.96225	0.1
303.11945	1.7
333.20508	1.4
351.20145	1.0
437.19278	100.0
438.19565	5.5
553.79559	0.1
623.01758	0.2
747.38953	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01804	3.3
55.05438	3.2
56.04971	6.7
56.45078	2.3
65.03866	5.4
69.03357	3.4
69.88682	2.6
70.06499	68.4
72.08051	22.1
79.05405	6.9
84.04425	18.7
84.08065	33.8
85.02826	6.2
86.09628	38.3
91.05408	21.2
93.03335	6.9
95.04900	6.8
97.06457	5.5
101.07051	3.9
102.05455	5.5
103.05396	36.8
105.06965	17.4
106.04112	16.9
107.04878	19.7
109.06488	4.3
110.07096	10.9
115.05405	11.8
118.04076	4.5
120.08056	24.1
121.06481	23.9
123.04395	11.6
125.05928	11.8
129.10191	19.8
131.04880	45.6
133.06442	15.6
134.03574	3.3
135.04410	4.3
136.07535	3.5
137.05946	33.2
145.06471	12.7
148.05174	15.5
149.05948	30.1
151.03912	5.1
153.05441	4.5
153.09071	4.3
159.07990	3.4
161.05983	22.4
163.03842	4.0
163.07506	35.3
163.98935	3.0
167.07002	85.3
171.06511	6.5
173.05891	6.6
174.06706	3.0
175.07460	11.0
176.04668	5.5
177.05348	20.3
181.04916	100.0
181.06407	5.4
181.08482	10.7
187.07448	5.6
190.06107	2.7
191.06990	76.2
199.10739	3.3
203.06978	6.6
205.08574	3.1
209.08031	45.8
219.01360	3.6
219.06335	3.4
223.04158	22.5
235.09537	3.7
255.28818	3.2
257.07983	4.4
263.09085	15.9
269.07870	3.3
312.08826	3.5
385.12802	5.5
417.15274	16.6
534.13428	3.7
534.29547	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	748.5563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99057	5.2
55.01802	5.4
55.05448	46.8
57.07009	46.7
60.04446	29.8
63.44981	5.9
67.05422	80.1
69.06968	45.0
70.03176	4.8
71.04887	9.7
71.08553	47.8
77.17373	5.3
79.05392	44.4
81.06960	65.6
82.06498	73.0
83.08541	41.7
85.10088	25.6
91.05404	81.0
93.06973	77.0
94.06484	80.1
95.04892	40.9
95.08525	91.8
96.08057	15.0
97.10114	14.3
105.06953	32.5
107.08597	9.1
108.08054	61.4
109.06420	8.1
109.10082	27.6
110.09655	7.0
117.06947	8.8
119.08558	10.6
120.08057	6.7
121.10135	13.0
122.09591	8.5
123.11665	8.8
131.08562	7.4
133.10132	8.5
135.11699	6.6
158.98055	6.4
197.19006	14.8
225.18439	8.5
249.22052	28.2
260.23514	26.5
266.24805	10.0
272.25720	32.4
278.24698	54.8
279.23080	25.2
296.25800	25.9
337.51447	7.1
470.14386	6.3
505.06088	6.7
532.47107	26.8
550.48242	78.3
568.49176	100.0
581.53235	6.9
626.50983	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	749.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96503	47.9
70.06494	15.8
72.08067	7.7
84.08066	7.7
86.09625	14.2
90.60312	2.8
98.97507	61.6
103.30782	3.4
104.17622	3.2
116.98562	73.3
120.08043	5.4
127.21912	3.2
129.10193	3.1
134.99619	43.2
146.99629	6.7
153.00737	3.6
158.99620	5.0
177.00735	4.9
237.02827	6.9
250.95964	3.3
272.65622	4.5
309.77771	3.2
372.01038	3.8
483.19907	3.6
497.29718	5.1
499.30917	6.7
527.30151	17.5
543.33514	25.1
545.31274	14.9
553.01746	3.7
563.32574	25.4
689.35504	100.0
690.35382	6.2
707.36609	45.0
708.36774	4.5
730.38263	4.5
737.66333	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	749.423
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57528	0.5
59.53251	0.5
60.04449	4.1
67.05418	0.8
70.06493	2.9
72.08073	0.9
86.09631	4.7
94.06698	0.6
101.14486	0.8
110.07103	1.1
121.44640	0.7
201.33142	0.6
235.11957	0.7
243.14334	1.3
279.17737	0.7
303.12134	3.5
316.28497	1.4
335.21866	63.4
336.22372	1.5
353.21579	1.0
373.15112	0.7
437.19254	100.0
438.19519	4.2
486.80746	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01800	3.6
55.05446	4.6
55.62918	4.0
57.03366	19.5
62.99102	3.6
69.03364	5.5
70.06508	32.4
71.04551	4.9
71.04912	100.0
72.08047	10.8
73.06472	39.8
83.04894	10.0
84.04418	10.0
84.08051	28.9
85.02826	84.9
86.09612	18.6
89.31728	4.2
90.15571	4.0
91.05392	4.9
110.07107	6.4
129.05463	16.6
129.10176	4.6
133.80977	4.7
136.07538	7.3
137.05922	26.3
162.58646	4.3
213.60144	4.8
258.10388	5.0
277.11874	5.9
411.18027	6.6
475.20593	6.9
507.23700	7.5
525.24762	38.9
569.23364	21.3
768.51141	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	751.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20637	3.6
55.01802	9.3
55.05438	16.9
56.04960	6.2
57.03371	55.2
60.04452	4.3
61.81303	3.6
62.78428	4.4
67.05407	18.0
69.03336	20.5
69.06990	6.2
70.06513	100.0
72.08052	29.3
73.02822	46.9
74.05977	5.8
79.05385	22.5
81.03327	4.9
81.06963	10.9
84.04413	28.0
84.08073	41.4
85.02823	4.6
85.08379	5.5
86.09631	54.8
91.05381	20.8
93.06971	24.0
95.04881	27.0
95.08500	6.7
97.02824	7.0
97.06458	6.2
97.78903	4.3
101.07059	4.9
102.05460	6.4
103.05372	5.7
105.06967	26.7
107.04912	6.2
107.08537	7.0
108.08840	4.4
109.06459	7.9
110.07101	19.6
111.83568	3.9
117.06940	8.5
119.04885	5.1
119.08572	6.2
120.08040	23.4
121.06449	6.9
129.10184	19.4
129.54675	3.8
131.04874	8.1
131.08496	5.5
133.06468	7.3
135.08035	9.1
136.07558	6.2
137.05942	26.8
143.08566	5.4
145.06529	5.3
145.10110	5.1
155.08478	7.0
159.07982	5.2
161.05898	5.9
163.07506	4.9
167.06995	24.8
167.08400	6.5
171.07947	10.7
171.11406	7.4
179.08505	6.6
180.07959	4.5
193.09979	4.6
195.07994	5.9
201.12392	5.1
207.11581	6.1
209.09563	7.5
221.09590	8.3
225.12611	6.5
229.10083	7.1
231.11458	6.8
234.09254	6.3
235.11063	9.8
246.09138	5.9
247.11177	8.7
249.12737	7.5
251.10753	5.4
259.11127	6.4
260.10724	5.9
261.12723	17.4
263.10541	4.7
263.14224	6.6
270.12646	7.1
273.12842	10.2
277.12000	4.7
286.12210	7.0
287.14005	6.3
288.10211	5.0
288.13596	5.7
289.15878	6.0
308.13901	4.9
317.94629	5.2
326.15579	5.2
368.15002	5.8
371.20090	6.3
446.19312	5.3
454.19879	6.2
464.20419	9.5
474.22534	10.4
486.22495	10.0
502.21866	8.6
504.23434	66.5
505.24179	6.3
520.23169	9.8
522.24762	68.4
538.24103	26.7
540.25726	23.0
566.23645	7.0
584.24731	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00236	1.8
53.03874	1.0
55.01796	1.2
57.03098	1.2
57.03367	26.2
57.31276	0.7
58.06523	1.1
58.54544	0.6
59.04931	8.1
60.04441	1.3
61.02840	4.1
61.66722	0.7
69.03344	100.0
69.35694	0.6
70.03661	0.8
70.06492	0.9
71.01252	0.7
71.04889	1.3
73.02814	4.0
75.04386	9.2
76.56007	0.9
81.03318	5.0
84.04408	1.6
85.02820	93.7
86.05988	4.1
87.04383	68.2
91.03875	1.3
93.57688	0.9
97.02815	88.5
99.04378	5.4
100.81953	0.7
103.03829	0.9
104.07005	1.8
109.02805	4.6
110.06006	8.9
114.05447	3.1
115.03874	81.8
116.04207	1.0
127.03864	12.6
128.07072	2.9
133.04918	69.1
134.05217	1.0
139.03886	1.1
145.04938	16.6
150.07585	10.7
157.04900	0.8
160.06000	1.0
163.05969	4.6
171.59138	0.7
189.81195	0.8
192.15298	0.8
200.09140	2.9
218.10175	80.7
219.10474	1.6
223.06029	1.3
223.11697	1.4
229.07043	3.6
241.06987	1.6
259.08093	12.8
265.09100	7.1
265.13766	0.9
277.09030	3.5
295.10181	14.9
380.15366	42.6
397.18231	1.0
494.96658	0.8
742.66425	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84052	0.5
53.00239	1.0
53.03886	0.7
55.01804	1.4
55.05446	1.6
57.03368	6.0
60.52993	0.5
61.02826	0.8
67.05423	1.5
69.03360	6.9
69.06979	1.0
70.06505	7.4
71.04903	13.3
72.08073	4.8
73.02827	11.6
73.06468	43.7
74.06799	0.6
79.05415	2.4
81.03341	1.0
81.06953	1.2
84.04409	2.5
84.08060	4.5
85.02807	3.5
86.09622	7.7
91.05388	3.6
93.06963	1.4
95.04886	2.7
97.02829	0.9
97.06454	3.6
103.05360	1.2
105.06971	1.4
107.04902	0.9
107.08488	0.8
109.06451	3.3
110.07098	3.1
115.03855	0.7
119.04903	1.3
120.08041	1.5
121.06467	3.9
122.68309	0.8
129.10202	1.3
131.04854	1.3
135.08047	1.5
136.07553	2.6
137.05949	2.9
145.06439	1.1
147.07997	0.8
151.07507	1.0
157.06401	0.9
159.07936	0.7
161.05969	1.2
163.07443	0.8
165.05530	0.7
165.06870	1.0
167.07104	0.8
167.08470	1.3
173.05901	0.8
178.07755	0.7
179.08492	0.8
181.06435	0.6
181.10057	0.7
183.08157	0.7
183.36876	0.8
185.05804	0.8
185.09566	0.8
187.07451	1.0
195.07916	1.2
197.09514	1.0
199.07585	1.0
199.11034	0.8
203.08641	0.9
207.08064	0.8
209.09526	2.5
211.07428	0.8
213.09090	1.0
215.08516	0.9
215.38733	0.7
216.09348	1.0
217.10062	0.9
221.09650	0.9
223.07408	0.8
223.11140	1.1
225.09369	1.0
227.08789	0.7
229.10014	1.5
231.08182	1.1
231.11589	1.3
232.08786	0.9
233.09538	2.4
235.07471	1.0
235.11246	1.2
237.09134	1.1
243.11713	0.7
245.09532	1.4
247.07388	0.7
247.11246	0.8
249.08867	1.3
251.10556	1.2
257.09656	1.1
259.11148	1.3
261.09085	2.3
261.12601	1.1
263.10657	3.0
265.12073	0.8
269.09573	1.3
270.10291	0.8
271.11160	3.6
273.09146	2.1
273.12692	3.1
275.10477	3.2
277.12289	0.9
282.10117	0.9
283.11005	1.4
285.09073	0.8
287.10431	1.5
287.14209	0.9
289.12088	3.2
291.10315	0.7
291.13745	0.7
299.10614	0.9
301.12317	1.4
303.10184	1.2
303.13568	1.2
305.11606	0.9
311.10608	0.7
313.12213	1.6
314.13052	0.7
315.10168	1.0
315.13760	2.5
317.11691	2.3
317.15372	0.9
319.09485	1.0
319.13086	0.8
325.11972	1.0
327.13467	1.0
333.11310	0.8
341.11520	1.0
341.15216	0.9
343.13245	1.3
345.11115	1.0
345.14868	1.0
347.12555	0.9
357.13458	1.3
391.18701	0.9
411.15219	0.9
413.16092	2.8
445.19995	1.3
463.20880	1.4
475.21158	0.8
491.20685	1.5
507.19623	0.9
523.23145	100.0
524.23401	8.7
539.22430	3.0
567.22101	38.1
568.22150	4.1
655.26709	3.1
752.31091	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00244	2.6
53.03860	3.3
54.81761	2.4
55.01806	2.8
57.03365	16.6
59.78553	2.3
64.33370	2.0
67.05421	5.8
69.03347	23.5
69.06974	5.1
70.06509	24.0
71.04897	4.3
71.06800	2.2
72.08064	5.3
73.02836	16.8
73.06462	100.0
77.03841	2.5
79.05394	13.4
81.03335	11.3
81.06962	9.6
84.04417	3.7
84.08043	12.3
85.02813	4.9
86.09605	12.5
91.05385	12.3
95.04876	12.1
97.02805	11.3
97.06458	10.2
103.05389	5.0
105.06967	9.3
107.04868	4.7
109.06467	23.5
110.07095	3.4
111.08002	2.3
114.12115	2.3
117.06937	3.5
118.51071	2.6
119.04832	3.6
120.08040	5.9
121.06433	5.3
122.03606	2.9
123.08001	5.6
129.06946	3.0
129.10130	3.1
131.04880	2.9
131.08516	4.3
133.06459	4.7
135.08000	2.8
137.05946	55.9
143.08577	2.6
147.08005	4.2
149.05916	2.5
151.07506	11.8
155.28215	2.3
159.07954	2.9
161.05913	4.2
163.07491	11.3
164.04466	2.4
165.06775	2.3
169.09894	2.2
171.08060	9.4
171.11658	2.3
173.09416	3.6
173.20897	2.6
177.09041	2.5
179.08469	5.7
181.06464	3.4
181.10020	4.2
181.99239	2.3
182.07280	3.0
185.05936	3.1
185.09552	3.1
192.09288	4.7
193.10007	3.0
193.41754	2.4
195.08102	9.6
195.11557	2.8
196.08725	3.8
197.09508	10.5
205.10016	2.9
207.07953	4.8
207.11591	5.4
209.09572	4.2
209.13165	2.6
211.07431	3.9
211.11095	2.7
213.09016	4.9
215.08409	4.0
217.09961	3.9
218.10695	2.6
219.08051	4.2
219.11600	3.5
221.09560	5.4
223.11186	5.8
225.09042	4.6
225.12737	3.9
230.10675	2.9
231.11732	3.5
233.09549	4.7
233.13191	3.0
234.10341	3.0
235.07394	3.9
235.11044	15.7
237.02623	2.4
237.09050	4.9
237.12674	4.9
239.10558	2.8
241.11948	2.4
243.11635	5.4
245.09477	4.3
245.13002	3.0
246.10294	3.7
247.11102	3.9
249.09000	3.0
249.12650	8.6
251.10564	12.6
253.12206	4.0
258.10489	3.2
259.11087	5.7
260.11810	3.9
261.08994	2.6
261.12704	5.6
262.09726	2.6
263.10651	5.5
263.14154	3.5
265.08701	3.7
273.12674	9.6
275.10748	4.1
275.14279	4.6
277.12064	9.0
279.10168	4.5
279.13776	3.8
283.14188	3.2
284.11929	3.8
287.10617	3.1
289.12119	13.2
291.13739	2.8
299.13812	3.5
301.15659	2.8
305.15305	3.5
315.13544	2.8
317.11603	4.3
317.15326	4.1
323.12665	3.0
341.13846	5.5
341.18536	2.8
361.18091	2.9
363.15771	3.3
403.19086	3.2
407.18613	2.9
411.17532	5.3
413.15820	4.1
419.21680	3.2
437.23166	3.1
447.21759	3.6
463.20987	5.4
465.22342	3.8
483.23260	3.8
493.21918	5.1
495.22870	2.6
507.23505	16.1
509.21140	5.8
525.24738	52.4
526.24713	4.0
527.23029	3.4
541.23914	3.3
543.25806	4.6
551.22369	12.0
559.25232	8.6
560.61963	2.7
569.23572	45.5
570.24017	4.0
587.24438	15.0
646.24927	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	754.5432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33195	0.9
60.41431	0.9
77.78442	0.9
119.57101	1.0
123.19278	1.1
157.47079	1.1
167.53107	1.1
184.40929	1.0
218.04257	1.2
500.31863	4.6
538.29474	1.2
746.93573	1.6
754.54218	100.0
755.54504	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	757.218
Annotation	Kaempferol 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.00255	0.1
53.03890	0.2
55.01810	0.2
55.05451	0.4
56.02996	0.0
57.03371	2.0
59.04930	0.1
60.04450	0.1
61.02851	0.8
65.03860	0.0
68.99407	0.0
68.99723	0.3
69.03346	1.7
70.06506	1.1
71.01270	0.1
71.04906	9.7
72.05249	0.1
72.08064	0.3
73.02830	0.6
75.04389	0.7
79.05415	0.1
81.03335	0.7
81.03786	0.1
83.01278	0.1
83.04904	1.2
84.04426	0.1
84.08069	0.5
85.02823	15.1
86.03171	0.1
86.09618	0.4
87.04397	0.5
91.03865	0.2
93.03357	0.0
95.04901	0.2
97.02814	2.1
99.04410	0.4
101.05927	0.1
102.05517	0.1
103.05437	0.1
105.03323	0.2
107.04889	0.3
109.02827	0.7
110.07099	0.2
111.00758	0.7
111.04400	0.6
115.03868	0.1
120.08054	0.1
121.02810	2.4
123.04398	0.1
127.03872	1.4
127.04787	0.1
127.08574	0.0
128.04221	0.1
129.05428	2.3
129.10208	0.3
131.04921	0.1
133.02826	0.5
133.04924	0.1
135.04401	0.2
136.07547	0.1
137.02295	0.8
139.03871	0.3
143.78746	0.0
145.04948	0.8
145.06378	0.1
147.04402	0.5
147.06464	0.8
151.03845	0.1
153.01791	3.2
153.03032	0.1
157.06477	0.3
161.05922	0.1
163.03798	0.1
165.01794	1.7
165.03125	0.1
166.02536	0.0
169.06439	0.1
171.02831	0.1
171.04337	0.1
183.02855	0.9
185.05887	0.4
189.05377	0.1
194.02043	0.1
197.05952	0.1
199.04013	0.0
203.06976	0.2
213.05406	1.2
229.05028	0.1
231.06471	0.7
241.04897	1.0
255.08563	0.1
257.04337	0.1
258.05145	1.1
259.05875	0.5
269.04465	0.2
283.05789	0.1
287.05435	100.0
288.05746	4.6
299.05600	0.1
303.04861	0.7
318.42749	0.1
329.06454	0.3
357.63281	0.1
449.10635	1.3
450.10583	0.1
574.21350	0.1
731.39801	0.1
757.26398	0.3
757.42169	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06519	14.6
72.08055	5.9
82.30157	1.5
84.04440	2.6
84.08074	7.3
86.09631	10.9
91.33224	1.4
93.01437	1.7
102.05442	1.5
110.07166	3.1
120.08067	2.7
122.47843	1.5
126.57595	1.9
129.10182	5.8
254.45451	1.7
358.66870	1.8
691.06915	1.9
713.25793	20.5
714.25531	2.7
757.24548	100.0
758.24677	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	757.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59339	0.9
55.05442	1.2
56.04968	2.6
61.01065	1.3
70.06513	24.8
71.06844	1.3
72.08074	10.2
72.57137	1.2
74.06009	1.9
77.69991	0.9
83.36909	0.9
84.04429	6.3
84.08069	15.5
86.09634	12.2
101.07040	1.5
103.05429	1.3
104.05290	2.2
110.07121	4.9
115.08664	1.1
115.70492	1.0
117.20215	1.0
119.01878	2.3
120.08092	10.8
121.08401	1.3
129.10176	8.5
130.01155	1.2
136.07503	1.9
137.05998	1.2
200.98604	1.2
230.65147	1.2
329.97064	1.1
341.19229	4.1
385.18216	65.5
385.23209	2.2
386.18451	1.6
395.20334	100.0
396.20715	5.4
535.21277	1.4
697.74261	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03891	1.0
55.05449	8.0
56.04964	0.8
56.96520	0.6
57.03382	11.4
61.02844	2.9
67.05443	0.7
69.03339	4.5
69.06982	3.9
70.06505	13.3
71.04910	61.4
72.08082	5.6
73.02824	4.3
75.04401	5.4
79.05405	0.8
81.03323	3.0
83.04899	13.6
83.08524	3.1
84.04412	3.7
84.08075	5.9
85.02829	100.0
86.03173	1.3
86.09628	6.7
87.04392	3.9
91.05404	1.5
97.02835	8.6
97.10107	1.1
99.04370	1.5
101.05927	1.0
102.05412	0.9
105.06943	0.9
109.02839	2.7
110.07080	1.6
111.04398	7.8
120.08060	2.9
121.05656	1.0
121.06466	16.2
123.04334	0.7
123.11639	3.0
125.05912	0.7
127.03874	6.2
129.05441	28.1
129.10202	2.9
131.04927	1.1
135.08035	1.7
136.07585	0.9
137.05931	2.8
145.04922	4.6
147.06506	13.8
147.08009	9.5
149.05901	1.0
159.08017	8.0
161.09586	27.8
161.10933	1.1
163.06007	0.9
164.09129	0.7
165.07585	1.7
167.07030	6.4
173.09578	23.8
174.09900	1.0
175.11174	5.4
177.05403	1.0
187.11150	10.1
189.24034	0.8
201.12683	7.0
237.07544	1.2
255.08597	3.2
257.18951	34.4
258.19308	1.2
273.09601	5.5
309.11682	10.5
412.83771	0.8
422.12634	0.9
472.31290	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.5478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05442	2.4
57.03381	1.5
67.05421	4.3
81.06960	7.2
83.23825	1.6
93.06912	2.1
93.66302	1.5
95.08547	2.8
98.14538	1.7
114.38159	2.2
120.96587	8.4
133.10422	1.7
339.28839	2.2
410.61154	1.9
426.23822	2.8
457.23389	8.1
671.78296	2.0
762.54779	100.0
763.55200	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	763.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00240	3.3
54.77615	1.8
55.01807	4.1
55.05447	2.1
57.03370	29.8
59.04928	2.3
65.28613	1.6
66.02080	1.8
67.05422	4.0
69.03349	20.3
69.06989	12.4
70.06503	13.0
71.04896	3.9
72.08067	4.0
73.02822	24.3
73.06464	100.0
77.60401	1.9
79.05392	17.4
81.03323	3.8
81.06951	4.5
82.25549	1.7
84.04417	2.4
84.08060	12.6
85.02840	2.0
86.09621	8.9
91.05389	3.3
95.04887	4.7
95.08501	1.9
97.06443	27.4
105.06942	3.9
107.04893	2.9
109.06465	13.3
110.07129	3.0
120.08077	4.8
123.08006	3.2
129.09059	9.4
129.10164	4.3
131.04863	3.4
131.73421	2.2
143.08514	2.4
148.87155	1.9
153.05464	2.2
171.08113	3.7
181.10144	2.0
190.01398	2.1
193.10110	2.3
195.11671	2.9
197.09647	7.3
209.09634	2.3
221.09555	2.6
223.11183	2.5
235.11169	3.2
243.11592	2.8
247.11281	2.4
249.12709	2.8
261.12823	2.5
262.08817	2.4
262.12515	2.3
263.10434	3.1
265.12149	2.7
273.12607	8.6
275.10513	2.9
275.14099	2.4
277.12244	2.8
287.14127	2.6
289.12305	2.3
291.13828	4.4
294.13324	2.1
298.12369	2.8
303.17389	2.2
310.12170	2.4
401.69061	2.5
424.17444	23.5
434.19363	2.8
438.19031	18.1
474.22690	4.1
520.23163	7.7
534.24561	15.2
536.22656	2.8
552.25879	32.7
578.23529	10.9
596.24731	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	764.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92782	1.4
55.01814	2.6
55.05446	2.9
56.04955	2.3
57.03366	2.0
63.09468	1.2
65.03861	7.3
67.05414	2.6
68.13483	1.3
69.03365	2.8
69.06987	1.8
70.06508	31.4
71.04907	7.7
72.07724	1.4
72.08054	13.0
74.05983	1.9
79.05402	5.3
81.03339	1.9
84.04415	9.9
84.08061	15.2
85.02829	21.4
86.03139	1.9
86.09627	16.1
91.05405	11.1
94.04115	1.7
95.04897	7.3
97.02760	1.4
97.06480	1.3
102.05447	1.7
103.05396	29.4
105.06960	10.8
106.04121	2.2
107.04905	6.9
107.08556	1.7
109.06457	1.2
110.03616	2.3
110.07105	7.6
111.04403	6.5
115.05418	7.4
117.06958	3.2
118.04111	3.1
119.04899	7.2
120.08079	7.9
121.02822	1.5
121.06461	10.4
122.03589	6.0
122.62614	1.4
123.04501	1.4
125.05921	7.6
129.05432	2.0
129.10202	8.6
131.04895	51.6
133.02814	7.2
133.06464	9.3
135.07983	8.1
136.07545	7.9
137.05957	100.0
141.05518	2.6
145.06493	7.5
147.04393	9.4
147.08041	3.0
148.05124	11.2
149.05974	6.7
151.03882	79.5
151.04965	6.0
151.07527	2.2
153.05452	9.6
159.07991	3.1
159.09247	1.4
160.05185	1.9
161.05954	11.7
163.07512	34.7
165.05476	3.4
165.09018	2.3
167.07014	19.0
173.05911	6.4
173.09474	1.9
175.07497	10.7
177.05417	7.2
179.07057	6.1
181.04933	29.0
187.07561	5.7
189.08958	1.7
190.06158	1.8
191.06993	76.2
193.04951	1.7
193.08406	4.6
199.07423	1.9
203.07011	6.5
205.08482	3.0
209.08058	3.0
235.07573	2.7
235.09702	2.7
237.02840	1.8
237.09215	3.0
247.09578	1.7
251.06866	1.6
253.08623	1.9
255.12244	3.0
258.19089	1.9
263.09149	9.6
265.08405	3.0
267.09982	1.7
277.08609	2.7
297.11185	1.8
307.09430	1.9
309.11230	1.7
311.12518	1.8
325.10519	3.3
327.12079	2.3
329.13605	1.6
337.10635	6.6
339.12042	3.3
341.13614	2.1
355.11652	5.8
357.13129	3.3
359.14865	2.2
369.13367	7.7
387.14291	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	764.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01820	2.1
56.04959	2.3
58.84020	1.6
64.10188	1.7
69.80288	1.8
70.06509	39.8
72.08054	9.1
72.91798	1.7
74.89909	2.0
79.05388	4.0
79.95570	1.5
81.03337	2.9
84.04430	8.5
84.08067	16.3
85.02842	4.4
86.09625	14.5
91.05396	6.9
95.04894	4.2
97.35538	1.8
103.05390	30.1
105.06947	7.2
107.04906	8.8
110.07112	4.4
115.05371	3.3
117.06930	3.1
118.04127	2.5
119.04896	11.5
120.08034	9.8
122.03601	4.0
123.04368	2.2
124.05021	1.7
125.05956	2.3
129.10187	7.8
131.04884	51.0
133.02769	2.5
133.06442	8.3
136.07541	2.8
137.04865	3.3
137.05945	100.0
143.04893	2.2
145.06441	8.0
147.04391	11.7
148.05151	8.2
149.05949	4.1
151.03883	84.2
151.04903	3.4
151.07506	2.9
152.04315	1.9
153.05505	2.3
161.05971	2.6
163.07487	31.9
165.05428	2.9
167.06982	12.8
175.07520	7.5
177.05350	2.6
179.07053	6.4
181.04913	25.6
189.09064	2.1
191.06984	79.7
203.06969	2.9
205.08511	2.3
219.10123	1.9
233.08025	3.4
233.10222	1.8
237.08832	1.7
249.09103	2.1
263.09079	15.1
265.08420	2.9
275.06836	1.8
297.11368	2.1
309.10818	2.0
327.12054	2.6
341.13907	1.8
355.11606	4.0
369.13434	2.3
387.14273	39.7
688.56372	2.4
704.25586	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	766.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01784	4.3
55.05444	3.6
57.03363	2.8
57.82715	2.2
65.03876	2.0
67.05413	4.8
69.03338	15.6
69.06976	3.0
70.06515	28.6
71.04893	3.2
72.08080	4.0
73.06469	100.0
79.05408	5.4
81.03323	3.2
81.06963	5.4
84.04434	8.1
84.08060	11.8
85.02810	15.5
86.09617	15.2
91.05399	4.4
93.06943	3.0
95.04900	4.2
95.08530	2.4
97.02802	3.7
97.06453	4.5
102.05457	2.4
103.05399	5.0
105.06953	14.2
106.04119	9.1
107.04874	4.2
107.08544	4.1
109.02778	2.0
109.06479	17.5
109.27088	3.0
110.07106	9.6
116.69714	2.7
118.04080	2.4
119.04862	4.9
120.08056	3.2
121.06431	12.9
123.07972	2.8
125.05968	2.8
125.88599	2.7
126.99603	2.8
127.03849	3.3
129.10194	3.6
131.04929	3.2
133.06438	10.6
135.07994	14.5
137.05942	11.1
138.66267	2.6
140.35220	2.2
147.04344	2.3
149.05951	20.5
151.07530	2.4
153.05423	2.4
161.05969	3.3
163.07507	5.9
167.07031	2.9
169.10081	2.3
171.08025	9.1
174.47643	2.6
177.05449	5.0
181.10147	2.3
195.07925	2.9
197.09499	4.5
199.07430	3.2
199.30008	2.6
204.09280	2.7
205.10141	2.9
207.11731	2.7
208.08652	3.9
209.07953	9.1
215.84990	2.6
216.09328	2.7
221.09639	3.7
223.11130	4.5
225.09044	4.7
229.10031	2.5
231.12065	2.3
233.09587	3.4
234.13483	2.4
235.11169	5.7
239.10719	3.3
245.09660	2.8
261.12665	3.0
263.10492	5.0
273.12488	2.8
275.14319	3.6
277.12222	3.0
287.10641	4.0
289.15891	2.5
289.88156	2.7
291.13800	3.0
301.12228	4.2
301.15698	3.5
303.13916	2.6
305.15491	4.3
329.15027	3.2
331.92203	2.8
361.17957	3.6
397.16568	3.2
407.18433	4.8
411.17953	10.9
413.16364	3.5
415.18469	3.4
447.21268	3.6
475.21136	4.8
483.23849	10.2
493.21823	2.6
507.23697	19.6
525.24756	64.0
526.24994	3.7
569.23590	24.0
644.28693	3.1
685.66901	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	766.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01817	3.2
55.05442	2.9
56.04977	2.1
60.04459	2.2
62.82838	1.3
65.03853	9.1
69.03368	1.8
69.06956	1.4
70.06509	40.0
72.08076	12.4
74.06015	1.7
78.97771	1.5
79.05397	3.0
81.06987	1.9
81.54068	1.4
84.04419	8.9
84.08082	14.6
85.02824	3.5
86.09624	17.5
88.03920	2.2
90.87193	1.3
91.05405	8.3
93.06981	1.8
95.04901	3.3
100.11160	8.1
102.05477	3.2
103.05402	7.6
105.06970	6.6
106.04073	1.7
107.04906	3.5
109.06451	1.6
110.03588	10.1
110.07108	8.5
111.04389	17.7
116.98560	1.7
119.04897	6.5
120.08061	8.5
121.02840	7.1
121.06461	7.7
123.04375	3.4
125.05951	15.6
127.08632	2.3
129.06929	7.4
129.10187	9.6
131.04884	12.2
131.08534	2.5
133.02827	1.9
133.06456	3.2
135.08012	2.9
137.05968	30.0
145.06441	3.3
147.04385	10.0
147.08026	2.1
149.02304	1.7
149.05963	7.2
151.03860	2.0
151.07526	8.1
153.05447	24.9
155.10382	1.5
157.06473	9.4
159.07951	2.4
161.05956	8.4
163.07495	13.1
165.05505	2.3
167.07008	36.7
171.08038	1.9
174.06784	2.4
175.07480	9.0
177.05424	5.0
177.09085	1.7
179.06969	3.0
181.04906	10.5
181.06332	2.1
181.08501	1.5
187.07481	2.5
189.08983	13.3
191.07040	2.7
193.08542	3.6
195.08046	2.5
199.07379	2.1
207.08202	1.8
209.08041	2.5
210.06737	5.8
210.14877	2.4
211.07603	2.7
216.76653	1.6
217.08444	3.3
219.08127	2.6
219.10103	10.2
221.09596	3.2
223.07497	2.6
224.08148	2.0
225.09074	8.1
234.06674	2.2
235.07562	2.9
237.09132	2.7
238.06120	2.3
238.09732	3.1
239.07024	2.6
239.10771	2.6
240.07774	7.3
249.09056	6.0
251.06844	1.7
252.07751	2.7
253.08563	17.9
253.12115	7.3
254.09233	2.3
255.10115	3.6
257.07953	2.1
265.08405	2.5
266.09305	3.4
267.10117	3.5
268.07257	2.1
269.07999	6.4
270.08755	3.2
277.08478	3.1
279.10071	2.4
281.08258	4.6
281.11407	3.2
282.08575	3.3
283.09537	9.4
284.10291	1.9
285.11325	2.8
288.88885	1.7
293.07742	1.8
294.08798	2.3
295.09543	2.9
296.10489	1.9
297.11121	3.3
298.11890	2.6
299.12689	7.2
300.09991	2.0
309.11139	10.0
310.12000	3.6
311.09131	2.2
311.12592	3.2
313.10617	21.4
313.14401	11.2
325.10580	1.9
327.12180	28.9
328.12466	2.1
329.13672	9.6
331.15225	3.6
335.64905	1.6
339.12323	7.4
340.12619	1.6
341.13641	9.3
357.13162	2.3
359.14795	100.0
360.15009	3.2
361.16690	2.2
371.14871	25.2
389.15979	13.3
699.27301	1.7
765.57465	2.1
766.38000	2.4
766.57635	3.6
796.69781	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2133
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01801	0.2
55.05451	0.3
56.04967	0.3
57.03374	2.1
57.07005	0.2
60.04455	0.3
61.02844	0.9
67.05108	0.1
67.05425	1.3
68.99724	0.3
69.03352	2.3
70.06504	4.8
71.04908	11.1
72.08066	1.8
73.02827	0.7
74.05980	0.3
75.04381	0.9
76.86018	0.2
80.93075	0.1
81.03340	1.3
83.04906	1.8
84.04424	1.7
84.08062	2.5
85.02827	18.8
85.06453	0.8
86.09634	1.6
87.04379	0.7
87.05542	0.2
91.05396	0.2
93.03340	0.2
93.06949	0.2
95.04919	0.3
95.08534	7.2
97.02821	2.5
99.04382	0.7
100.81429	0.2
102.05473	0.7
105.06980	0.4
107.08560	0.7
109.02814	0.9
110.07120	1.2
110.25726	0.2
111.00744	0.8
111.04378	0.7
113.05936	0.3
116.07001	0.2
119.08527	1.2
120.08047	1.0
121.02834	0.9
121.10120	0.4
123.04401	0.3
123.08020	2.3
127.03886	1.3
129.05438	2.8
129.10207	1.2
133.99158	0.2
135.11674	0.9
136.07549	0.3
137.02318	3.2
137.05962	0.3
139.03821	0.3
143.11806	0.2
145.04968	0.4
147.06474	0.8
149.02284	0.3
149.09593	1.5
151.14816	0.3
153.01811	3.9
161.13202	0.4
163.03851	0.8
163.05960	0.2
163.11180	0.2
165.01814	1.8
165.12685	0.3
173.05968	0.4
183.02858	1.2
187.03993	0.2
189.12794	0.3
195.02824	0.4
201.05496	1.6
205.04935	0.3
207.13774	5.1
225.14873	0.7
229.04912	4.9
245.22617	0.2
247.06004	0.9
257.04431	3.2
274.04684	1.2
285.03802	1.4
290.86624	0.2
303.04935	100.0
304.05316	4.0
385.14655	1.0
386.14874	0.7
387.16037	0.2
409.18387	0.2
465.10172	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05443	3.7
57.07015	50.6
69.06984	8.7
69.69567	1.9
71.08550	38.1
73.06467	8.9
83.08553	3.4
85.10102	22.7
87.04382	12.1
89.05958	100.0
96.31818	1.7
97.10118	2.2
98.62247	1.7
103.83518	1.8
107.06978	4.5
117.09061	4.4
118.06110	1.6
133.08578	33.7
177.11166	14.7
184.07330	2.1
221.13857	2.0
253.62044	2.0
258.07169	1.8
281.35645	2.0
299.29425	9.3
326.92224	2.1
423.32813	2.0
588.71344	1.8
758.56445	2.0
774.58478	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	775.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	1.7
55.86076	1.2
56.96494	48.1
60.31797	1.1
61.91660	1.2
67.05412	5.1
67.41936	1.3
69.06951	5.0
74.97501	1.7
81.06961	5.5
84.08024	2.0
84.11723	1.3
84.95955	5.5
93.06920	1.6
95.08508	2.2
98.97503	72.2
98.98161	2.6
105.58922	1.2
110.97515	9.5
112.99063	11.2
116.98558	73.5
119.00092	1.4
128.98549	30.6
131.00122	41.6
134.99619	50.5
140.00168	1.8
140.98572	2.1
143.00145	16.1
143.03151	1.2
144.97993	1.4
146.99619	43.9
149.01187	100.0
152.98586	1.7
153.00642	6.7
158.01218	2.3
158.99609	32.8
160.00237	1.3
160.99976	1.6
161.01198	34.8
162.99054	2.7
165.00693	7.7
167.02237	34.8
170.99591	38.3
172.02766	2.7
173.01259	9.5
175.02646	3.1
177.00659	77.5
179.02228	8.3
185.01192	9.7
187.02780	2.3
189.00659	74.7
191.02232	22.7
194.99753	2.2
195.01712	17.4
199.02704	7.3
200.02205	2.6
201.00604	17.1
203.02229	20.3
207.01718	10.9
209.03236	1.8
212.02223	3.2
213.00679	8.5
217.03764	13.2
219.01706	34.4
221.03340	1.7
227.02231	5.7
231.01753	6.4
233.03259	7.4
237.02763	22.3
242.02849	1.3
245.03256	1.7
249.02626	1.4
261.02713	29.7
275.04260	5.5
279.03778	58.7
291.03683	2.7
293.05338	61.1
297.04868	14.3
302.05566	2.5
309.04816	4.8
311.06381	25.3
317.17755	30.4
321.04825	72.4
322.05292	1.9
334.08102	2.0
335.18900	18.7
337.27225	7.2
339.05774	8.4
381.06854	6.0
437.09564	24.3
455.10577	60.0
456.10782	2.1
539.24963	5.1
553.26569	8.6
715.31946	72.1
716.31720	6.6
721.79449	1.5
738.30994	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04961	0.6
59.06062	3.0
60.05578	0.6
65.22260	0.3
68.04942	0.3
70.06510	100.0
71.06845	0.7
72.08070	0.6
73.06468	0.7
84.04427	13.0
84.08073	2.4
85.02843	0.3
86.09628	7.7
91.05409	2.3
93.20850	0.3
94.84155	0.3
97.07590	1.7
98.05970	0.4
102.05464	1.5
103.05417	0.7
105.03369	1.3
105.06963	0.4
107.04925	0.4
110.07143	0.7
115.08640	3.5
116.07046	0.4
118.06487	5.2
119.04890	0.6
119.07292	0.5
120.08054	2.2
125.07065	2.3
129.06555	0.3
129.10176	1.1
136.07567	3.4
137.06024	0.5
144.08107	0.4
146.05992	8.8
155.08324	0.3
165.05484	0.6
167.07153	0.3
167.08575	0.5
170.09615	0.4
172.11165	10.0
174.05511	2.2
181.02290	0.3
181.34909	0.3
182.08115	2.4
187.12315	0.6
195.07961	0.5
197.12860	2.2
204.10178	0.3
207.83490	0.3
215.11885	0.6
216.12534	2.2
217.13356	3.4
219.08096	0.5
223.07504	2.2
236.10649	4.6
239.13744	0.7
243.11269	6.9
244.11674	0.3
247.10817	1.7
264.10062	0.7
265.08627	1.8
270.11093	0.5
273.08701	2.1
275.10364	1.3
282.11301	1.4
291.10010	0.5
293.11218	2.7
302.11807	0.6
303.09760	0.5
305.15277	0.4
322.17487	3.3
347.14005	0.7
372.15524	2.1
381.14368	0.6
399.15656	0.4
456.17407	0.5
467.22833	2.8
484.17117	1.3
507.22552	2.9
525.24097	0.6
535.21637	3.6
553.22839	21.2
554.23157	1.7
596.26776	1.7
632.90619	0.4
742.07373	0.4
777.34277	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96497	41.6
64.79613	1.9
69.31127	2.4
69.35683	2.1
70.06496	2.7
70.67310	2.1
72.17884	2.1
73.29176	2.1
74.97535	3.2
81.06980	3.1
84.95925	2.8
92.10236	4.3
98.97508	62.7
102.31322	2.5
107.10011	2.5
108.66087	2.3
110.97507	10.2
112.99092	10.1
116.98572	73.7
128.98569	26.3
131.00122	37.7
134.99623	54.0
140.00186	4.0
143.00110	17.6
146.99619	52.6
149.01198	90.1
153.00703	4.3
158.99597	31.0
161.01208	31.1
165.00668	5.9
167.02243	40.0
170.99602	42.7
173.01193	14.6
177.00658	85.3
179.02220	9.6
185.01213	10.1
188.44377	2.8
189.00667	88.5
191.02231	24.3
195.01779	15.6
199.02745	6.1
200.02359	2.7
201.00656	11.5
203.02188	18.1
207.01761	11.5
212.02312	3.6
213.00664	5.2
217.03867	10.5
219.01750	26.2
227.02283	5.5
231.01622	9.9
233.03244	3.4
237.02846	27.8
261.02719	30.7
275.04330	6.1
279.03821	53.6
286.81827	2.8
293.05377	56.8
297.04877	17.1
309.04977	9.2
311.06409	26.8
319.19391	5.9
321.04883	70.1
337.20419	45.4
339.05835	3.1
381.06967	5.0
437.09647	18.7
455.10675	54.3
541.26227	3.6
555.28229	4.9
617.64520	2.6
710.09601	3.8
717.33533	100.0
718.34033	4.6
734.91333	2.8
783.68268	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	777.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82193	1.4
56.96235	2.5
56.96498	44.0
67.05411	2.3
74.97504	1.7
81.06958	1.9
83.27383	1.4
84.95952	7.9
95.08553	1.5
98.97507	74.4
102.96997	1.3
105.06937	1.5
105.85970	1.4
110.97490	11.2
112.99086	11.1
116.19539	1.2
116.98566	85.6
128.98566	31.2
128.99454	2.4
130.99222	2.7
131.00133	50.0
134.99617	54.4
140.00108	1.9
140.98518	1.6
143.00136	19.1
144.76347	1.3
146.99617	52.1
149.01201	100.0
152.98532	2.7
153.00711	6.8
154.01791	1.6
158.01225	3.1
158.99614	38.7
161.01184	43.0
162.99121	5.3
165.00648	12.7
167.02251	45.0
170.99586	35.7
172.02718	1.9
173.01117	11.4
175.02773	3.2
177.00670	76.4
179.02269	6.2
181.03639	1.6
182.99612	1.8
185.01140	8.7
189.00674	91.9
191.02242	21.9
195.01733	20.1
199.02766	9.4
200.02281	6.9
201.00656	14.2
203.02232	22.0
207.01796	14.4
209.01205	2.6
209.03078	1.6
212.02315	2.3
213.00766	9.5
215.02278	5.4
217.03792	13.8
219.01735	41.7
221.03410	2.1
227.02271	3.2
231.01660	6.7
233.03268	6.3
237.02727	22.1
261.02744	30.6
269.14078	1.7
275.04260	5.7
279.03842	47.5
291.03973	2.4
293.05377	56.1
294.05661	2.5
297.04834	17.4
302.05283	3.0
309.04874	11.9
311.06421	28.2
319.19406	14.3
321.04868	84.6
334.07800	1.6
337.20428	45.4
339.05823	9.4
339.28876	2.1
355.21512	1.8
362.07388	3.2
378.26227	1.5
381.06726	7.5
381.40350	1.4
437.09518	26.9
453.08905	2.2
455.10663	58.9
541.26154	6.8
555.27991	7.9
630.76923	1.6
717.33557	83.3
718.33234	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	777.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05436	0.4
56.96499	0.8
63.45671	0.3
63.79803	0.3
63.94017	0.3
67.32083	0.3
67.98578	0.3
70.06509	2.8
72.08075	1.8
82.00177	0.3
84.04432	0.8
84.08067	2.1
86.09642	1.7
100.11224	0.3
129.10210	0.6
157.01869	0.5
159.03313	0.5
164.84947	0.4
184.02762	5.9
186.04366	0.4
187.02829	1.8
197.06059	0.5
199.07518	0.8
202.03822	4.7
215.06989	0.5
215.10641	0.6
217.08585	3.7
227.07089	0.6
235.09633	2.4
238.11081	0.7
247.11214	0.8
248.09415	0.6
253.12256	0.4
256.12088	0.8
263.10696	1.5
264.13867	0.7
265.12152	8.7
266.10599	5.9
267.10782	0.3
279.10208	1.6
281.11716	1.5
282.14963	1.6
283.13217	33.7
284.11465	7.7
291.10098	2.2
293.11746	0.5
295.18094	0.6
297.11594	0.4
297.19437	0.5
300.16049	0.4
301.14270	13.0
301.17432	0.5
302.12592	0.8
308.12741	0.5
309.11151	16.6
309.14642	0.6
310.11530	0.7
311.12729	0.5
326.13879	1.9
327.12244	6.1
331.16821	1.7
341.18524	1.9
347.20151	0.6
349.17892	2.9
356.16296	0.5
359.23343	1.4
363.24310	0.7
364.22638	1.6
372.19250	0.4
375.15921	0.6
377.22299	0.7
381.25296	12.6
381.29752	0.6
389.22244	3.1
393.17090	0.8
407.23196	8.8
408.22116	0.8
425.24237	11.2
431.25189	0.4
433.21249	0.3
447.30023	0.8
451.22348	5.3
455.27072	0.6
473.28052	4.0
491.28979	16.3
492.29218	0.8
499.25659	1.2
517.26917	9.6
557.33441	1.3
599.67438	0.4
615.39166	0.8
633.39948	19.3
634.40417	0.6
691.16370	0.4
699.44128	3.2
717.45728	100.0
718.46045	10.0
791.34399	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81963	0.9
60.08098	8.5
64.21825	0.8
71.07275	6.3
82.34624	0.9
86.09622	51.2
90.26377	0.8
91.28344	0.9
98.98392	6.6
104.10638	1.9
124.99961	36.9
125.41725	1.0
128.39078	0.9
135.07698	1.0
140.38069	0.9
182.62036	1.0
184.07300	100.0
185.07622	1.2
297.43921	0.9
321.69894	0.9
378.01520	1.2
778.52911	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	779.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96497	46.1
71.38692	2.4
79.35782	2.5
91.03812	2.6
98.97511	75.2
107.22224	2.7
110.97504	5.8
112.99114	5.1
116.98564	79.6
118.95214	2.9
128.98560	30.7
131.00140	42.3
134.99626	58.6
140.89523	2.7
143.00124	21.0
146.99628	58.8
149.01195	100.0
153.00664	5.1
158.99619	36.1
161.01195	42.9
162.99115	4.1
165.00639	5.7
167.02240	47.7
170.99567	31.3
172.02907	3.5
173.01186	12.9
175.02733	2.7
177.00671	78.1
179.02255	11.4
184.02837	2.8
185.01167	4.6
189.00647	80.3
191.02237	22.8
195.01688	18.9
199.02751	6.4
200.02173	3.5
200.56093	2.7
201.00589	11.2
203.02246	22.9
207.01717	16.0
213.00865	3.5
217.03793	11.6
219.01711	29.1
231.01677	4.7
233.03188	3.0
237.02843	25.8
251.89803	2.6
261.02756	33.6
275.04242	5.5
279.03815	59.5
293.05380	57.1
297.04910	20.9
302.05344	4.7
309.04675	10.7
311.06516	29.3
321.04834	72.7
321.20679	2.9
322.05026	2.8
339.05920	6.1
339.21976	44.0
357.23019	3.5
381.06964	4.3
437.09634	23.0
453.08719	2.7
455.10620	49.5
543.27930	4.8
557.29645	5.7
719.35156	79.5
720.36237	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	779.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96497	45.6
57.95723	2.4
58.13747	2.3
61.21544	2.8
63.97293	1.9
71.96161	2.3
72.23000	2.2
72.67696	2.5
84.95951	4.6
98.97502	68.6
105.08717	2.3
110.97518	3.7
112.99095	5.8
116.98549	75.3
128.98540	22.2
129.34712	2.3
131.00130	43.1
134.99629	63.4
137.67401	2.4
143.00139	12.6
146.99619	51.9
149.01193	100.0
153.00688	5.0
158.99614	35.1
161.01178	40.5
165.00668	12.1
167.02232	42.5
170.99603	38.8
172.02843	2.7
172.39578	2.8
173.01170	11.6
177.00667	88.1
177.31581	2.2
179.02263	10.1
185.01189	3.6
185.03172	2.3
189.00655	91.4
191.02225	26.0
192.69370	2.9
195.01729	16.8
196.01463	2.2
199.02740	3.8
200.02248	4.3
201.00760	13.4
203.02150	19.3
207.01711	12.2
209.03290	3.5
212.02187	4.4
213.00661	5.9
215.02089	2.6
217.03809	9.6
219.01694	29.9
227.02187	4.6
231.01756	9.4
233.03154	4.8
237.02666	23.7
261.02722	27.5
275.04419	3.1
279.03815	39.9
291.03906	3.2
293.05319	50.7
297.04865	18.9
309.04926	8.6
311.06461	26.3
321.04834	89.4
321.20901	5.5
339.05786	10.6
339.22028	43.4
339.28351	3.1
357.23035	6.1
362.07367	4.9
381.06796	4.9
437.09244	26.7
455.10648	44.2
543.27972	3.1
557.29956	4.4
637.55096	3.0
719.23120	4.2
719.35052	91.8
720.35242	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	787.2285
Annotation	Isorhamnetin 3-(4Rha-galactosylrobinobioside)
Peak:m/z	Relative Intensity
55.01807	0.5
55.05440	0.6
56.04965	0.1
57.03370	2.8
59.04921	0.1
61.02849	1.0
68.99715	0.1
69.03345	2.1
70.06510	2.1
71.01258	0.2
71.04906	12.3
71.06824	0.1
72.05216	0.1
72.08068	0.6
73.02834	0.8
75.04393	0.9
81.03332	1.1
83.04893	1.8
84.04426	0.5
84.08066	0.9
85.02824	20.4
86.03157	0.1
86.09619	0.9
87.04382	0.6
91.03868	0.2
91.05412	0.1
92.02553	0.7
93.03334	0.9
95.04912	0.2
97.02820	2.5
99.04379	0.5
101.07054	0.1
102.05471	0.3
102.07272	0.1
103.03851	0.1
105.46824	0.1
109.02827	0.7
110.07144	0.3
111.00767	0.1
111.04391	0.9
120.08062	0.1
121.02781	0.9
126.03083	0.2
127.03878	1.6
129.05426	3.1
129.10217	0.4
130.10489	0.1
131.04860	0.1
131.31709	0.1
133.02817	0.1
135.04369	0.1
136.07472	0.1
137.02327	0.1
137.05946	0.2
139.03897	1.1
145.04941	1.1
147.06485	1.1
151.03867	1.0
151.07443	0.1
153.01799	6.9
157.06416	0.1
163.03868	0.1
163.05983	0.2
163.07475	0.1
165.01784	0.6
166.02547	0.1
177.05388	0.2
183.02910	0.2
200.04755	0.1
201.05457	0.4
203.03378	0.4
217.04898	0.5
218.05658	0.5
228.04108	1.1
229.04906	2.7
231.02908	0.1
243.06464	0.1
245.04414	0.8
246.05141	1.5
255.08507	0.1
256.03659	0.3
257.04385	2.5
258.04852	0.1
260.03143	0.3
261.07620	0.2
266.44427	0.1
271.05963	0.1
273.03815	1.6
274.04660	4.5
275.04922	0.1
284.03006	0.5
285.03854	4.5
286.04312	0.4
287.01990	0.1
288.06168	0.2
301.03586	0.1
302.04141	15.9
303.04599	0.6
309.11713	0.1
317.06482	100.0
318.06818	4.4
359.07578	0.2
442.68750	0.1
450.14792	0.1
479.11575	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04957	0.2
60.04453	6.8
62.08568	0.1
63.47830	0.1
68.04948	0.6
69.06988	5.5
70.02879	0.2
70.06508	94.7
71.06840	1.1
72.08079	0.2
72.11428	0.1
74.05987	0.2
84.04422	1.5
84.08072	0.3
86.09624	100.0
87.05515	0.3
87.09948	1.2
88.03917	0.2
91.05389	0.2
92.10979	0.3
96.37902	0.2
99.05508	0.2
101.07098	0.2
102.05477	3.0
104.94624	0.1
105.07006	0.2
109.07597	0.2
110.07094	0.2
111.09130	0.2
112.03912	3.9
112.07565	0.3
114.76994	0.1
116.07037	0.7
120.08050	12.9
121.08410	0.3
129.06554	1.5
129.10179	0.2
130.05009	0.2
132.08057	0.3
136.81554	0.1
139.08641	1.9
140.07077	0.2
144.08061	0.2
147.07622	3.9
147.08723	0.2
149.05949	0.2
155.04510	0.6
155.08142	0.2
157.06123	0.3
157.09692	13.7
158.10014	0.2
160.07512	0.2
162.09129	0.2
163.90735	0.1
166.08594	10.7
167.08113	8.8
167.09526	0.3
168.53065	0.1
172.07559	0.6
175.07109	3.2
185.09174	7.8
189.10208	0.6
193.08347	0.1
197.12773	0.3
199.18095	0.3
206.08055	0.3
207.11281	2.6
217.09813	0.3
225.12282	6.2
226.11955	0.2
235.10716	3.7
235.12914	0.2
236.10399	0.3
243.13347	5.9
253.09091	0.2
253.11781	5.2
254.11288	4.3
263.10284	0.3
272.12350	2.8
290.13434	0.6
304.12827	0.5
322.13995	0.7
328.22238	3.2
340.14990	1.4
350.13190	0.3
356.21701	6.4
357.21973	0.2
392.93625	0.2
401.18149	0.7
419.19064	2.8
437.20218	45.3
438.20459	2.2
453.26993	0.3
541.59033	0.2
550.28339	0.9
769.37988	0.2
791.91089	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01794	1.0
55.05186	1.2
55.05448	28.9
57.03375	18.0
57.07000	1.4
61.02859	7.4
65.03872	3.7
67.05424	100.0
69.03340	2.3
69.06986	26.2
71.04903	1.8
76.56756	1.1
79.05405	62.8
81.06973	88.1
81.32244	0.8
82.07334	1.0
83.04942	1.0
83.08537	8.5
85.02824	3.8
85.06480	1.1
91.03886	1.2
91.05409	35.1
93.06966	73.2
94.07268	1.6
95.04880	7.7
95.08530	67.8
97.02824	2.2
97.06477	2.3
97.10101	2.4
99.08027	1.1
105.06974	25.4
107.08534	35.9
109.06481	1.9
109.10101	25.1
111.07982	1.3
115.56467	1.0
117.06947	8.7
119.07754	1.6
119.08527	20.7
119.79023	0.9
121.10092	26.8
123.11662	8.6
125.09483	1.0
129.06946	1.5
131.08528	17.3
133.10092	17.6
135.11647	14.6
145.10089	10.8
147.11650	10.7
149.13264	7.8
157.10178	1.2
159.11670	8.2
161.13214	7.6
163.11227	1.0
163.14812	1.8
173.13219	8.8
175.14696	2.1
185.13202	2.4
187.14749	2.3
201.16402	1.2
231.20935	1.1
241.19492	1.3
243.20985	4.6
259.20486	4.4
261.22009	15.7
269.25964	1.0
315.23141	1.2
317.24478	4.4
333.24075	4.6
333.28174	1.0
335.25723	77.8
336.26102	2.1
337.27267	7.2
521.43353	1.8
595.47003	15.6
596.47546	1.2
613.47772	14.0
614.48602	1.4
792.52637	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
63.58208	0.1
65.43783	0.1
67.19463	0.1
70.06520	0.6
72.08042	0.2
74.02354	3.4
82.79156	0.1
84.04469	0.1
84.08083	0.2
85.02803	0.2
86.09609	0.2
86.87180	0.1
92.64344	0.1
103.05399	0.2
114.50796	0.1
117.06993	0.3
129.06931	0.1
129.10146	0.2
130.06467	1.5
131.04904	1.3
132.08061	0.8
139.03906	0.2
140.18283	0.2
143.07277	0.7
144.08070	100.0
145.08427	3.5
146.06026	0.3
148.05193	0.6
154.06462	0.1
156.08029	0.7
163.07550	0.7
171.09128	2.0
173.10733	0.9
188.07047	0.7
200.07098	0.2
208.45638	0.1
217.09697	27.8
218.10019	1.3
427.11743	0.2
473.24524	0.2
536.93860	0.1
552.72772	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03365	11.9
59.04918	2.2
67.05412	19.9
69.03345	32.9
69.06976	12.5
70.06506	22.8
72.08067	2.5
79.05392	22.8
79.78178	1.8
81.03352	4.7
81.06976	62.2
82.02951	1.8
83.08546	3.1
84.04414	3.8
84.08069	10.4
85.02824	55.0
86.09627	13.5
87.04416	16.8
91.05411	21.1
93.06966	40.7
95.04903	3.5
95.08538	51.0
97.02818	30.3
105.06976	47.0
107.08537	44.3
109.02826	3.5
109.10106	26.6
111.08049	15.1
115.03884	17.5
117.06967	4.0
119.08532	50.6
121.10095	27.5
123.11633	9.2
125.09576	2.3
127.03872	8.9
129.06944	3.3
129.10184	3.3
131.08543	24.3
133.04953	14.6
133.10107	45.0
134.99751	2.1
135.11641	22.9
136.07549	4.3
137.05927	5.0
143.08521	9.7
145.04935	12.1
145.10118	30.5
147.11679	47.8
149.13242	12.2
157.10146	16.2
159.11658	32.8
161.13240	23.9
163.05991	3.3
163.14755	3.4
167.06969	2.7
171.11633	13.0
173.13216	33.1
175.14743	30.8
177.16246	2.4
185.13200	9.9
187.14755	14.1
189.16341	4.9
199.14778	14.7
201.16360	8.5
203.14233	2.5
205.15895	4.2
213.16351	12.6
215.17935	3.6
227.17915	12.0
229.19456	90.9
238.64613	2.2
241.19373	2.8
269.22568	51.2
271.24280	3.6
287.23627	100.0
288.23944	2.7
305.24619	3.6
325.11124	2.7
536.46796	2.3
584.05188	2.9
653.22522	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	797.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98565	0.4
57.03367	2.6
61.02859	7.4
67.05422	7.4
69.03361	5.2
69.06989	0.7
71.01305	0.5
73.02834	5.7
79.05399	5.0
81.03321	1.0
81.06973	6.7
83.08569	0.5
85.02824	7.2
91.03874	4.2
91.05418	3.5
93.06966	6.6
95.04943	0.5
95.08519	6.7
96.19968	0.5
97.02810	5.2
97.06474	0.5
99.04376	1.1
101.02319	1.2
105.06983	1.2
107.08556	2.1
109.10126	2.0
117.07002	0.9
119.08551	2.0
121.10108	0.9
127.03841	1.9
131.08533	0.6
133.10104	0.6
135.11629	0.7
185.04123	0.5
243.08484	2.2
277.31409	0.5
289.70102	0.5
335.25974	0.7
400.28116	0.5
420.10953	0.6
449.62244	0.5
519.29059	12.3
520.29327	0.8
699.56854	0.5
705.98132	0.5
797.51563	100.0
798.51917	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	801.381
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04956	1.5
70.06509	100.0
72.08046	4.3
73.44500	0.8
74.05984	4.5
84.04434	3.8
84.08068	7.9
86.09626	17.5
91.05408	10.2
98.05981	5.7
98.13435	0.9
102.05468	1.7
103.05378	1.8
105.03397	0.9
107.04897	5.2
110.07114	2.3
118.06489	17.7
118.50787	0.8
119.04884	4.9
120.08063	8.5
121.06494	1.0
123.04364	4.2
128.92908	0.9
129.10220	4.1
131.04877	1.0
136.07552	21.9
137.05978	1.5
137.07076	1.4
146.05984	33.0
147.06279	1.2
147.92146	0.9
162.05481	5.8
165.05438	4.3
172.11243	3.5
182.08102	5.6
182.84721	0.9
183.14853	3.5
192.10127	4.0
196.02492	1.1
203.08348	1.2
211.14468	3.2
217.13345	2.1
236.10703	4.0
237.12247	1.1
243.11183	1.6
264.10162	1.0
265.08408	0.9
265.11688	1.2
281.12759	2.2
296.61072	1.0
309.12302	10.7
356.19586	2.1
397.60941	1.0
508.54538	0.9
544.93469	0.9
591.24152	1.0
688.28406	1.1
743.68970	1.0
767.97955	1.1
786.89313	1.0
801.38318	14.7
802.37366	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	803.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04972	8.4
56.96499	0.8
58.06525	0.7
59.85492	0.6
60.04465	0.6
67.12916	0.6
70.06507	17.2
72.08066	30.7
74.05988	79.3
82.06484	3.0
84.04430	14.2
84.08060	8.5
85.02838	0.7
86.05980	7.7
86.09631	7.0
87.05497	1.0
99.09141	7.4
101.07071	5.7
102.05468	11.2
103.05383	2.5
105.16865	0.7
106.80862	0.6
110.05981	3.3
110.07108	1.4
112.03947	0.8
114.05470	16.3
115.08687	0.8
120.04414	1.3
120.08088	1.3
123.04387	0.7
127.08640	5.8
128.10747	0.7
129.10226	5.0
130.04991	3.2
131.04857	5.0
136.07574	1.4
137.05962	22.4
137.07030	1.0
138.05383	1.1
138.06302	4.9
145.09697	23.9
149.53166	0.8
155.08118	22.6
156.06641	0.8
160.82961	0.9
161.05930	1.3
163.07449	0.9
169.09720	5.0
170.05977	4.4
171.07590	5.6
171.14891	1.5
173.09158	22.1
173.12898	1.2
183.11299	3.6
184.06047	2.7
187.10760	1.0
191.10344	1.1
197.09177	100.0
198.09433	1.2
201.08673	13.9
201.10416	1.1
201.12314	6.4
202.08670	1.4
215.10229	27.7
240.13351	19.0
253.08754	1.0
258.14310	2.4
268.12854	38.2
284.12332	1.3
286.10803	0.9
286.13916	23.1
294.38181	0.8
302.13361	9.6
345.13269	4.3
346.13525	1.4
397.16962	5.5
411.20679	0.8
415.18121	40.7
416.18414	1.4
451.64502	0.7
500.27017	0.9
514.24982	42.6
515.25256	1.3
613.31610	10.8
696.34814	0.8
714.36255	3.4
766.91425	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96504	30.8
57.28327	0.6
60.19595	0.6
66.91135	0.6
71.95171	1.4
74.97520	1.0
75.08633	0.6
98.97497	1.4
115.97832	0.9
116.98563	1.2
128.98586	3.2
133.98907	1.0
134.99704	0.8
146.99634	8.8
149.01193	1.6
153.00690	0.8
161.01152	1.1
165.00714	1.5
189.04300	3.4
203.05872	1.0
203.30931	0.8
212.97874	0.8
217.07500	0.9
239.09558	0.7
245.10541	3.0
279.12628	1.5
317.17819	100.0
318.18164	6.2
319.19617	1.7
333.17252	1.0
335.18869	70.2
336.19168	5.2
353.19879	3.1
358.20474	8.4
391.21512	34.3
392.21768	1.8
436.75833	0.8
451.23517	9.8
494.87463	0.9
803.43463	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96238	1.7
56.96502	29.4
63.71746	0.9
67.05429	1.2
69.90743	0.7
71.95172	1.0
74.97516	1.0
79.43353	0.7
86.09621	1.3
91.58859	0.8
92.98577	1.0
111.99278	1.1
116.98523	1.9
118.55779	0.8
128.98549	3.8
133.98927	1.0
134.99628	0.8
137.02676	1.0
146.99620	8.4
155.03854	1.5
157.27751	0.9
161.01186	1.5
165.00703	3.9
169.05365	1.2
179.02327	1.0
184.07280	1.8
189.04305	4.1
196.82455	0.9
213.27780	0.9
217.07372	1.8
245.10648	3.6
276.85547	0.9
317.17816	100.0
318.18127	6.3
319.19360	1.2
333.17444	1.1
335.18869	71.8
336.19293	3.7
353.19946	1.6
358.20535	8.5
391.21469	30.9
451.23352	11.5
493.17340	0.9
581.86304	1.0
590.94464	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03861	4.9
65.30025	0.4
68.38995	0.4
91.54057	0.6
92.10931	1.8
93.03326	0.7
95.08579	0.5
96.90511	0.5
121.02801	2.4
139.03876	4.8
149.02313	100.0
149.03381	5.6
150.02588	1.8
175.03918	0.7
191.06950	0.7
193.04918	75.3
194.05318	2.1
198.78690	0.6
237.07512	20.3
269.04358	1.1
297.03781	1.2
341.06552	4.6
359.07376	2.5
385.09097	12.5
429.11639	3.6
472.54050	0.6
577.13354	8.5
621.16473	3.9
646.23444	0.6
728.02972	0.6
769.16821	4.9
773.54529	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03372	27.8
57.07007	2.5
57.68497	1.9
59.04916	4.1
60.04456	3.0
61.02853	2.7
69.03345	100.0
70.06522	2.3
71.04882	2.9
73.06460	4.2
75.04370	7.6
77.66605	1.7
81.03349	3.9
84.04406	3.6
85.02819	96.1
87.03860	3.8
87.04385	64.9
91.03843	2.5
97.02815	98.4
98.97556	2.0
99.04407	3.1
100.07529	4.3
114.05466	3.9
115.03878	81.6
116.98566	2.2
124.07542	17.0
127.03843	18.2
133.04932	63.7
138.99455	2.2
142.08632	2.6
145.04939	16.4
150.07635	8.3
160.06029	5.2
185.01782	2.5
214.10767	4.8
232.11748	98.3
233.12437	3.4
259.08041	13.6
279.15421	2.2
295.10284	12.6
394.17029	54.1
403.46310	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	808.5558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03366	6.1
66.89523	5.5
67.05424	95.3
69.06985	14.5
72.31078	6.1
74.10841	5.7
79.05421	72.2
81.06974	85.1
91.05379	56.9
93.06966	100.0
95.08538	57.3
99.37910	5.9
105.06985	60.8
107.08510	32.9
117.06972	11.9
119.08538	52.8
121.10086	32.2
129.06923	8.8
131.08501	29.1
133.10095	43.4
135.11623	10.0
145.10126	29.5
147.11671	38.8
150.61159	6.2
154.34293	6.5
159.11659	14.4
161.13187	11.4
165.67096	6.7
166.96410	7.1
171.11652	9.1
185.13330	9.2
259.20428	11.7
333.23959	26.5
335.25772	45.9
351.38593	6.4
548.57074	8.3
611.46222	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02852	3.0
61.54853	2.1
64.22607	2.3
67.05424	5.3
69.03328	3.5
69.06953	2.6
73.02816	4.8
75.98705	2.2
79.05401	4.5
81.06973	6.2
85.02805	5.8
91.05398	2.8
93.06962	5.4
95.08525	3.7
97.02796	3.3
97.06458	2.9
98.55976	2.9
107.08508	4.3
109.10120	3.2
166.51793	2.3
182.53590	2.6
315.19009	2.7
317.93942	2.9
519.29590	4.7
533.26917	5.0
811.49432	100.0
812.48895	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	813.4623
Annotation	Bayogenin 3-O-cellobioside
Peak:m/z	Relative Intensity
57.03367	2.9
58.81799	2.0
63.67588	2.3
66.88085	2.2
67.05408	16.3
69.03332	11.3
69.06989	19.2
70.06510	21.6
71.04941	2.4
72.08039	9.7
79.05388	16.9
81.06976	50.1
83.04883	3.1
83.08522	15.8
84.04402	3.0
84.08040	10.7
84.84571	2.4
85.02818	37.8
86.09609	14.0
91.05406	18.7
93.06960	33.2
94.11111	2.7
94.59964	2.6
95.04878	2.7
95.08527	70.1
97.02826	5.8
97.10088	4.1
105.06970	57.1
107.08530	83.7
109.02834	3.4
109.06435	4.4
109.10090	47.9
110.07094	10.9
117.06933	10.9
119.08530	86.2
121.10081	63.2
123.11648	13.4
127.03853	4.3
129.10205	2.8
131.08530	34.6
133.10092	54.7
135.08054	3.1
135.11652	41.4
137.05872	4.8
137.09555	2.9
137.13184	3.6
138.65982	2.4
140.64281	2.5
143.08531	4.1
145.04919	2.8
145.10091	76.8
147.11652	48.9
149.09529	4.0
149.13200	13.3
151.11241	2.7
157.10063	11.3
158.10939	2.4
159.11641	60.6
161.13220	38.4
163.07347	2.7
163.11102	31.6
163.14772	14.4
171.11613	4.3
173.13220	41.7
175.14774	43.7
177.12718	4.2
177.16322	45.0
185.13246	17.6
187.14774	48.8
189.16328	98.7
191.14201	4.6
191.17873	15.4
199.14706	15.1
201.16345	95.0
203.17894	19.7
205.15813	100.0
207.17352	16.6
213.16272	4.9
215.17845	5.4
217.15683	3.8
217.19534	5.6
219.17415	32.8
227.17941	2.7
247.16823	3.5
389.31744	9.3
395.32950	5.0
407.32983	62.2
408.33356	4.9
425.33981	50.3
435.32617	20.6
443.34933	22.9
453.33530	94.5
454.34235	4.0
471.34589	33.5
489.35263	5.5
788.25439	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	813.4906
Annotation	Glabrin C
Peak:m/z	Relative Intensity
66.47907	4.0
67.05420	5.9
70.02780	4.0
81.06953	5.4
86.09628	19.7
93.06982	7.4
121.10206	4.2
124.99958	18.5
134.24760	4.3
158.55283	4.8
172.43373	4.2
172.45009	5.6
180.30466	4.3
184.07314	40.4
234.63177	4.8
545.41541	5.0
609.94989	5.8
813.49017	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02846	4.2
67.05426	6.3
67.21499	4.0
79.05388	8.5
81.06973	7.1
85.02807	4.1
86.09624	10.0
93.06963	6.4
95.08519	5.6
108.67451	4.4
114.36657	4.4
124.99880	6.4
126.39198	3.8
184.07300	25.4
250.34982	4.1
268.16531	4.1
325.50198	4.2
329.27301	4.0
463.57101	4.3
464.37766	4.4
534.70966	5.3
535.28424	5.5
700.55353	4.4
813.51288	100.0
814.51111	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	813.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03379	1.2
61.02851	5.5
61.24311	0.7
67.05429	5.2
69.03343	1.8
73.02834	5.3
73.09690	0.8
79.05415	5.3
81.06959	7.2
85.02826	4.8
86.09613	3.6
91.03884	3.5
91.05409	4.2
92.10879	2.0
92.64082	0.8
93.06995	5.1
95.04917	1.8
95.08547	3.7
97.02828	4.1
101.02354	1.0
105.06989	1.6
107.08508	1.6
119.08527	1.7
121.10173	1.0
124.99974	1.3
127.03911	1.0
131.08537	0.9
133.10072	1.2
145.10132	0.9
162.55627	0.8
171.94273	0.7
184.07332	4.7
185.07564	1.0
205.18542	1.1
216.63651	0.8
243.08315	1.0
254.46103	0.9
465.29861	0.9
519.29187	6.9
535.28973	1.9
543.19965	0.9
813.50970	100.0
814.51727	12.4
819.76843	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04454	0.9
65.80305	0.7
69.06979	0.7
69.26968	0.9
70.06501	13.0
72.08077	1.7
84.04434	4.4
84.08077	5.6
85.02866	1.2
86.09630	12.5
89.29662	0.7
91.05467	0.7
91.52450	0.7
97.30640	0.8
103.05360	1.1
107.08567	0.9
110.07130	1.7
119.08604	1.1
120.08061	3.1
128.78941	1.0
129.10225	4.2
130.05011	1.4
133.06416	0.9
136.07594	1.7
137.05988	1.0
138.01691	1.0
138.05235	0.9
159.73569	0.8
207.11151	3.9
219.11060	3.5
237.12070	8.3
265.11523	1.5
283.12610	3.2
312.11725	3.1
320.19498	1.3
326.77109	1.0
332.19461	4.0
350.20361	9.0
378.20056	1.8
396.21375	1.2
424.81000	0.8
425.19833	0.9
435.18674	0.9
446.14124	0.9
447.25760	1.5
486.26630	1.1
493.26251	6.0
504.28024	1.4
516.27869	2.0
518.29553	3.9
532.27588	1.9
534.28583	6.9
544.27570	1.9
550.28680	3.8
562.28473	7.8
575.31024	1.2
580.29346	12.6
603.30896	1.2
621.32178	1.0
631.30292	1.0
637.31683	3.0
649.31439	4.4
667.32257	7.8
782.33026	1.0
784.37531	1.5
796.37500	1.2
814.39319	100.0
815.39667	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	815.5264
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03368	2.3
57.07030	1.2
59.92624	1.2
61.02863	7.7
67.05434	6.0
69.03340	2.9
70.00733	1.3
73.02837	2.4
79.05444	1.8
79.97016	1.2
81.06966	3.1
81.45599	1.2
85.02834	6.8
86.09647	1.3
91.03892	2.8
91.05415	2.4
92.10928	1.8
93.06985	5.1
95.08530	3.0
97.02831	5.3
104.93307	1.3
105.06992	2.2
107.08549	2.3
109.10107	1.7
121.10109	1.6
125.00019	1.5
126.26547	1.4
131.32657	1.3
132.22829	1.3
134.22464	1.3
146.34244	1.3
184.07419	2.1
206.26410	1.2
243.08479	1.9
277.40497	1.3
317.21307	1.5
401.62985	1.8
521.30939	7.4
535.28766	6.1
556.82526	1.4
674.18323	1.4
678.02307	1.4
814.50940	6.3
815.52502	100.0
816.52625	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	815.5269
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03373	2.4
58.24342	1.7
59.62976	1.6
61.02851	4.8
64.33997	1.6
67.05434	3.7
69.03345	3.2
69.06985	3.1
72.97235	2.1
73.02821	3.8
79.05405	2.5
81.06992	8.3
84.20914	1.6
85.02825	3.6
87.09063	2.1
91.03891	3.1
92.10893	4.8
92.25803	1.8
93.06981	3.4
95.08531	7.8
97.02831	4.8
99.04454	2.1
101.02345	2.2
109.10115	2.2
119.08504	2.1
121.10091	2.1
130.95805	2.1
160.32909	1.9
425.80161	2.3
521.31079	3.5
535.28888	3.9
580.91840	2.1
815.52692	100.0
816.53479	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	815.5272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03370	2.1
59.69567	1.8
61.02854	4.6
63.19119	1.8
67.05440	4.1
69.03358	2.9
69.06986	4.3
73.02833	4.1
79.05416	2.3
81.07006	3.3
83.08551	3.1
85.02819	3.2
91.05470	2.5
95.08543	3.9
97.02851	2.6
97.10112	2.7
107.05018	2.1
167.22018	2.2
187.74353	2.1
315.19409	3.0
523.32513	7.2
533.26935	3.4
815.52673	100.0
816.53046	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	817.5428
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02868	3.1
62.30448	1.9
67.05438	8.2
69.03344	2.4
69.07001	3.0
73.02821	2.2
79.05428	4.2
80.04504	2.1
81.06977	9.4
85.02827	3.3
85.47695	2.0
93.07008	3.9
95.08548	8.4
97.02829	3.9
103.34644	2.1
140.71770	1.9
142.06807	1.8
162.15883	1.8
199.73169	2.2
243.08313	3.0
353.60068	2.4
389.12247	2.3
521.31543	3.4
537.30573	10.1
682.52917	2.6
817.54156	100.0
818.54102	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	817.5421
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03364	2.5
57.07010	1.4
61.02854	4.4
62.23832	1.6
64.11594	1.7
69.03354	3.2
69.06989	2.0
73.02827	2.2
79.05425	3.9
81.06963	2.3
85.02827	4.0
91.03902	3.5
93.06951	4.0
95.08540	3.5
97.02846	3.9
109.18119	1.8
111.85129	2.3
136.72470	1.7
145.37195	1.6
180.54111	1.7
197.61420	1.9
243.08453	2.7
341.20422	1.9
352.23001	1.7
474.36075	1.8
523.32324	4.2
535.28467	3.1
816.53619	2.6
817.54181	100.0
818.54504	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	818.6191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06776	2.5
57.07012	41.6
57.13715	1.8
59.13638	2.0
69.06960	8.4
71.08244	1.8
71.08552	30.2
73.06454	9.7
85.10103	19.2
86.09657	2.4
87.04369	12.1
89.05949	100.0
92.56550	2.2
93.88014	2.2
97.10101	2.2
99.11670	2.7
103.32874	2.1
107.07017	5.0
107.69821	2.0
117.09068	4.8
125.92676	2.0
130.08633	2.7
133.08571	30.5
177.11191	16.9
184.07368	2.7
221.13885	2.3
239.14789	2.3
245.78848	2.2
252.15219	2.2
255.26727	2.4
268.59586	2.1
272.90085	2.4
299.29395	3.6
343.31946	4.1
424.03967	2.5
463.24039	2.6
510.45853	2.7
794.52820	2.3
801.58228	2.6
818.61212	13.0
825.99542	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	819.4609
Annotation	Unknow
Peak:m/z	Relative Intensity
67.57267	0.8
67.87125	0.8
69.03361	0.9
70.06509	100.0
72.08067	9.3
74.05980	1.8
84.04421	6.3
84.08064	13.5
85.02791	1.6
86.09633	17.7
86.86012	0.9
88.03918	2.2
98.05976	11.7
101.07037	1.1
102.05475	1.6
105.07018	1.5
110.07112	4.3
112.75594	0.9
115.08665	0.9
120.08042	5.1
125.07065	5.3
126.05492	7.9
126.06277	0.9
129.10210	5.3
131.04872	1.2
136.07491	1.0
137.05939	2.0
141.10222	5.0
159.09190	1.3
161.05899	1.2
165.09021	1.2
167.06938	1.1
167.08182	1.1
167.11731	3.7
169.09624	6.4
183.14917	8.6
185.09175	7.3
195.11281	9.3
196.06001	10.9
204.11298	3.6
211.14389	4.7
213.08685	5.7
223.91440	0.9
229.15262	0.9
238.15356	1.1
250.11787	1.7
264.13275	1.8
266.14893	4.8
292.12802	4.8
310.13980	4.9
342.23715	3.6
363.19965	1.6
373.17685	0.9
478.22821	5.2
539.37250	1.1
607.38214	11.5
704.43433	1.4
719.11005	1.0
819.46185	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	819.558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03385	2.0
60.80174	1.2
61.02859	7.5
67.05431	5.7
69.03362	1.6
69.06998	5.0
73.02831	4.5
77.68474	1.1
79.05412	2.1
81.03320	1.3
81.06991	7.5
83.08549	2.2
85.02867	5.3
93.06999	2.8
95.08537	5.3
95.85815	1.2
97.02830	2.7
99.04449	1.3
99.35448	1.0
100.42364	1.0
101.02323	1.7
104.01219	1.1
243.08409	1.8
523.32538	7.4
537.29932	5.3
818.54272	2.3
819.55743	100.0
820.56604	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	821.6364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30037	0.5
60.08093	7.3
67.73441	0.4
70.06506	0.6
71.07278	2.5
75.77973	0.5
76.56323	0.5
81.06979	0.7
86.09623	37.7
98.98357	2.2
102.85484	0.5
104.10681	3.9
124.99951	27.0
143.00975	0.5
149.02338	1.8
184.07291	100.0
185.07562	1.0
388.31488	0.6
502.32620	0.6
520.33850	13.9
521.33850	0.9
575.45551	0.6
613.51794	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04916	3.2
61.02858	21.9
63.48788	2.0
67.05077	3.8
67.05426	91.1
69.03355	2.7
69.06978	9.8
71.08555	28.2
73.02819	1.9
81.06982	25.5
83.08533	16.8
85.02841	21.7
85.06471	1.9
85.10105	10.6
91.03881	9.2
91.05383	4.0
92.10321	4.1
95.08534	20.0
97.02824	10.7
97.10078	2.6
109.10107	100.0
111.08051	3.1
119.08530	5.0
123.11646	2.2
141.01717	1.9
155.10626	2.4
163.05931	2.1
173.11719	28.1
229.14305	88.9
313.27322	73.7
314.27719	2.8
354.95325	1.9
384.25299	2.1
467.37201	66.3
468.37930	4.3
744.48993	2.2
823.94818	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	828.5824
Annotation	Unknow
Peak:m/z	Relative Intensity
60.97442	3.5
64.33962	3.7
65.10075	3.3
65.45361	3.7
67.05429	100.0
69.03343	5.6
69.06982	55.9
71.04897	4.2
71.08555	5.2
71.83968	3.1
79.05415	57.4
81.03349	5.1
81.06981	96.3
83.04900	17.9
83.08540	42.1
85.02805	4.6
85.06490	4.7
86.09657	3.5
91.05405	39.6
92.31438	3.3
93.06973	59.2
95.04897	45.1
95.08528	69.2
97.02814	5.5
97.06453	8.9
97.10101	20.0
99.04362	7.4
99.08020	5.6
105.06950	27.1
107.08530	37.1
109.06452	6.1
109.10104	39.5
111.04350	4.6
117.06990	13.8
119.08507	25.7
121.10101	31.0
123.11654	6.3
131.08531	16.1
133.10075	21.8
135.11653	22.1
137.09550	3.7
145.10092	14.8
149.09555	18.3
149.13223	14.6
151.11229	8.3
161.13341	4.7
163.11148	20.8
169.10109	4.6
173.54240	3.6
223.13231	9.0
229.14420	6.1
245.38248	4.5
269.17465	17.3
275.20071	14.4
277.21683	4.3
293.20993	15.0
337.27365	33.4
339.28839	54.4
349.23492	7.5
367.24835	15.3
439.14743	3.9
491.37262	5.9
500.19852	5.8
531.40167	37.6
613.47791	22.3
614.47913	4.7
631.49133	62.6
829.50464	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	829.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
59.33167	0.9
60.44453	1.0
61.02860	5.5
67.05445	4.6
69.03352	2.6
69.07010	1.6
73.02839	4.5
74.51721	1.0
79.05414	5.6
79.18769	0.9
81.06982	5.1
85.02835	2.6
89.00970	1.1
91.03910	1.7
91.05424	4.4
92.10233	1.2
93.06966	2.6
95.08530	5.3
97.02859	4.7
101.02370	1.5
103.29990	1.1
104.16168	1.1
105.06982	1.2
107.08540	2.7
119.08572	1.4
125.00095	1.4
144.19127	1.3
144.60765	1.4
149.63591	1.0
173.91393	1.0
184.07381	4.1
195.14574	1.2
243.08287	1.2
332.09601	1.1
333.20108	1.8
338.34781	1.4
519.29199	4.5
551.27917	8.1
728.59326	1.4
755.34155	1.2
829.50531	100.0
830.50702	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	829.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19006	0.8
61.02863	5.8
62.46707	0.8
62.74065	1.1
67.05424	7.7
69.03352	4.0
73.02833	4.2
79.05415	5.9
81.05865	0.9
81.06986	8.5
85.02837	5.6
86.09632	1.2
91.03898	2.4
91.05426	2.1
92.10259	2.4
93.06966	7.9
94.28104	1.0
95.04939	1.2
95.08553	6.3
97.02836	5.5
101.02354	1.3
105.06966	3.8
109.10094	1.3
119.08595	1.1
120.66839	0.9
121.10106	1.4
123.64897	1.0
124.99959	1.0
145.04982	1.1
156.66580	1.0
184.07323	2.4
236.01404	1.1
243.08344	1.5
333.20459	2.5
357.76373	1.3
519.29291	6.7
542.16772	1.1
551.28021	6.4
829.50507	100.0
830.51233	17.1
841.96283	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
60.43887	0.5
61.02849	1.3
61.58816	0.5
62.22660	0.6
63.02433	0.5
67.05418	7.3
69.03335	5.4
69.06984	9.7
70.06509	4.6
72.08060	1.1
74.09626	0.6
74.75407	0.6
77.56866	0.5
79.05404	7.8
81.03323	3.4
81.06967	27.6
83.04893	0.9
83.08543	8.3
84.08074	1.2
85.02824	28.9
85.06435	0.6
86.09608	3.1
91.05392	8.0
92.10221	1.4
92.63896	0.6
93.06966	19.4
95.04867	1.3
95.08528	44.2
95.26530	0.5
97.02831	6.4
97.03342	0.6
97.10072	2.7
99.04425	0.6
99.07977	0.7
105.06967	29.9
107.08531	44.8
109.02819	2.5
109.06480	0.8
109.10102	24.4
111.08025	2.5
117.06948	6.9
119.08528	42.0
120.08021	0.8
121.06406	0.8
121.10089	36.2
123.08015	2.4
123.11662	9.0
127.03858	5.5
129.06892	0.8
129.10139	1.3
131.08531	19.7
132.08794	0.7
133.10089	31.4
135.08012	2.5
135.11647	19.9
137.05896	1.1
137.09560	2.6
137.13222	1.4
143.08549	4.7
145.04916	3.6
145.10091	43.0
146.10611	0.5
147.11647	29.5
149.09625	1.4
149.13217	11.5
149.66359	0.7
151.11165	0.6
157.10103	5.0
159.11646	35.8
160.12115	0.8
161.13210	21.8
162.13567	0.7
163.05919	1.0
163.07518	0.6
163.11131	16.6
163.14806	11.4
165.09065	3.0
165.12730	1.4
166.14349	0.6
167.06982	0.6
169.10045	1.0
170.10855	0.7
171.11639	4.1
172.12427	1.0
173.13202	20.0
174.13670	1.1
175.14769	29.9
177.12724	2.7
177.16336	30.2
179.14276	3.7
183.11642	4.1
185.13188	9.6
187.14786	36.2
189.16338	61.8
190.16637	1.2
191.14200	4.8
191.17891	10.9
197.13165	0.9
199.14786	9.5
201.16345	62.5
202.16711	1.3
203.14243	3.6
203.17909	16.4
205.15829	74.4
207.17409	16.0
211.14684	1.3
213.16342	3.6
215.14188	0.8
215.17947	5.6
217.15811	3.6
217.19469	2.2
219.17372	24.5
221.15317	2.4
225.16339	1.0
227.17973	2.3
229.15858	0.8
229.19518	2.7
231.17377	3.9
233.15277	2.1
233.19006	0.7
243.17422	0.7
243.20966	0.8
247.16887	5.3
285.21912	1.0
295.24088	0.8
313.25125	3.6
325.25165	0.8
379.33371	0.9
389.31668	4.6
395.32941	4.8
407.32965	48.0
408.33267	3.5
409.34387	2.5
413.34457	0.7
425.33975	38.0
426.34314	3.0
427.31952	1.0
435.32443	15.4
441.33423	0.8
443.35101	21.2
453.33542	100.0
454.33890	6.5
471.34601	52.5
472.34720	3.9
489.35672	25.2
490.35922	1.2
510.16031	0.7
605.40302	3.4
637.93036	0.7
735.43738	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.355
Annotation	Unknow
Peak:m/z	Relative Intensity
61.05684	1.2
64.90973	1.5
69.62995	1.1
70.06525	2.6
84.08112	1.3
86.09607	1.6
94.69032	1.3
120.99960	1.2
169.37862	1.4
189.05182	45.0
202.06036	3.0
203.06763	3.1
205.04750	5.6
216.07558	13.5
217.08330	2.4
413.15686	2.3
426.16498	6.1
427.17651	1.9
439.17068	17.0
812.29858	1.7
831.35425	100.0
832.35590	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.522
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02859	4.9
67.05418	5.8
69.03343	1.7
69.06992	1.4
73.02833	4.7
79.05401	4.0
81.03403	0.8
81.06962	7.9
83.08507	0.8
85.02818	6.0
86.09641	1.0
91.03886	3.4
91.05418	2.9
93.06991	2.9
95.08548	5.1
97.02838	4.3
97.06445	0.7
99.04452	0.7
101.02288	2.5
102.98112	0.7
104.09298	0.7
105.07001	1.8
107.08530	1.1
109.02838	0.8
119.08538	1.1
121.10114	1.3
123.35268	0.8
127.03888	1.3
201.27682	0.7
243.08430	1.4
257.17664	0.8
278.44324	0.7
332.08469	0.7
333.20450	1.6
337.84625	0.8
355.99982	0.8
449.07010	0.9
521.30798	5.7
551.28223	4.3
572.42773	0.9
830.50049	3.6
831.52032	100.0
832.52191	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66448	1.2
61.02857	5.8
61.33282	1.0
61.62074	1.0
67.05434	7.6
68.75253	1.1
69.03349	2.2
69.06975	2.1
70.53080	1.1
73.02845	5.0
79.05400	2.9
81.06982	6.0
83.08571	1.9
85.02838	5.7
90.60674	1.3
91.03871	4.5
91.05405	1.8
93.06980	4.8
95.08565	4.9
95.73207	1.3
97.02818	4.8
99.88352	1.1
109.10167	1.3
109.61509	1.4
114.38033	1.3
119.08511	1.6
127.03935	1.5
129.06960	1.1
184.07297	1.7
322.64673	1.3
333.20441	4.8
382.31909	1.3
521.31201	2.4
551.28131	4.9
568.17218	1.4
761.68835	1.5
830.50275	2.2
831.52032	100.0
832.52380	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	835.5534
Annotation	dirithromycin
Peak:m/z	Relative Intensity
61.02851	1.8
67.05438	3.7
69.03355	2.9
69.06995	8.5
73.02834	1.5
73.18364	1.4
79.05419	3.1
81.06984	3.3
85.02807	2.8
91.31755	1.8
97.02827	4.0
335.21973	2.4
363.70123	2.1
523.32037	3.9
549.15552	2.1
559.41095	2.5
573.49054	2.0
718.29639	2.0
768.64746	1.8
834.53687	2.6
835.55109	100.0
836.55255	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	840.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03854	8.6
67.05420	2.7
67.16834	1.7
71.80731	1.8
79.05386	8.7
82.04110	2.2
85.02836	2.2
91.05384	14.7
93.03292	2.1
93.06962	9.7
95.04895	10.9
103.05386	12.2
105.06965	28.5
107.04887	7.2
110.03603	8.5
111.04373	20.8
115.05385	2.9
118.04072	2.1
119.04845	2.2
119.08465	2.0
120.05663	2.2
121.06455	24.8
123.04375	8.2
125.05974	15.7
129.06966	3.6
131.04871	7.8
132.25984	1.8
133.06448	17.8
135.04330	1.9
135.07985	3.0
137.05919	10.2
138.06685	2.2
148.05151	3.6
149.05969	14.7
150.06718	4.1
153.05434	32.7
154.06245	3.8
157.06508	3.1
158.07230	2.6
161.09587	2.0
163.07501	3.9
165.06967	2.1
165.09074	23.2
166.06224	11.7
167.06993	19.7
167.08249	2.6
171.06497	4.4
173.09477	7.2
175.07497	2.1
177.05376	2.5
179.07059	2.9
179.08502	2.1
181.04913	100.0
181.08534	62.2
182.07292	2.9
182.08795	2.0
186.18990	1.8
189.09038	15.3
191.06937	2.9
193.08545	88.1
194.07234	1.9
195.08005	2.9
198.06796	1.8
201.09077	4.4
208.08755	2.4
209.08009	35.5
210.06737	4.3
210.08824	2.7
211.07539	3.1
216.11406	2.4
219.10126	2.9
221.09706	2.9
221.11728	9.0
223.11171	2.8
224.08261	2.8
225.09027	7.1
226.06331	3.3
227.06921	2.4
227.10516	3.1
228.08000	2.4
233.09557	2.2
235.07495	3.2
236.02811	2.0
240.07700	4.2
241.08589	2.8
247.07205	2.2
247.09515	2.0
247.52612	1.7
249.08867	2.9
249.11153	8.0
251.07008	3.3
251.10320	2.6
253.08455	8.4
254.09361	2.6
255.10123	3.5
256.07416	2.0
257.08087	2.4
257.11679	2.7
259.09671	3.7
265.08459	2.2
268.10922	2.9
270.08887	3.9
271.09610	10.6
277.08478	3.2
278.09219	3.4
279.10004	2.6
281.07953	2.4
283.09427	2.4
283.13196	7.3
285.11182	9.8
286.11673	2.2
287.09415	2.5
287.12650	3.6
293.11523	2.4
294.08734	2.5
295.09589	3.7
309.11096	9.7
311.08957	2.3
311.12570	4.0
313.10617	8.2
315.15839	3.0
321.11215	2.5
328.69040	2.1
329.09979	3.7
341.13593	13.8
343.15427	22.3
345.13263	15.5
353.13821	3.9
369.13101	26.9
370.14038	2.9
371.14789	20.6
383.14828	2.1
385.16455	18.1
401.15750	13.9
403.17383	32.5
551.22589	25.0
579.22253	15.3
611.24683	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	842.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03858	4.1
67.05410	1.8
72.16426	0.9
75.55294	0.9
79.05406	8.7
83.04857	1.6
84.08115	1.0
85.02804	1.1
86.09621	1.2
91.05418	5.9
93.06939	1.9
95.04882	6.4
103.05389	6.3
105.06968	35.9
107.04895	9.5
107.08528	1.1
109.06470	4.0
110.84909	0.9
111.04395	1.8
115.05376	2.0
117.06982	1.2
118.04099	4.1
120.05642	2.1
120.93838	1.2
121.06444	5.8
123.04382	5.0
125.05908	2.3
129.06956	4.4
131.04863	1.4
131.08511	1.3
132.05650	1.3
133.06459	32.6
135.08000	5.2
137.05945	9.7
138.03076	1.1
138.06735	2.1
140.04663	2.0
143.08482	2.1
145.10139	2.3
147.08017	1.6
148.05174	4.2
149.05966	1.9
150.06699	8.6
151.07515	5.3
153.05463	2.3
154.06203	1.4
155.07050	1.1
157.06506	2.0
158.07249	2.0
159.07962	1.2
159.72359	1.0
161.05930	5.0
161.09573	5.4
163.07518	3.8
164.76677	0.9
165.05453	1.3
165.09071	42.0
166.06113	1.1
167.07008	22.0
167.08403	1.6
171.06500	6.3
171.07971	1.8
173.09564	6.8
175.07516	1.7
177.05469	4.1
178.06198	2.2
179.06993	3.5
181.04916	74.3
181.09970	1.0
182.05298	1.6
182.07208	1.1
183.06410	1.2
189.09065	14.3
191.06985	4.0
191.10617	1.8
193.08559	100.0
194.09068	4.0
195.07999	1.8
195.10010	1.8
199.07471	1.3
201.09074	14.4
205.04672	2.2
210.06734	2.3
211.07561	1.9
212.08339	2.1
216.11453	15.2
217.08423	1.8
219.10062	1.5
221.11653	19.9
223.11119	1.8
225.09134	2.2
225.11166	10.4
226.09604	1.4
227.06808	1.0
227.10568	1.3
231.10014	1.1
233.11655	3.5
244.07233	1.7
249.11205	9.5
251.12735	1.7
253.08412	2.3
255.06360	1.2
255.10172	1.8
257.04391	1.3
257.11603	1.1
259.09595	1.7
259.13266	6.8
265.08450	1.0
267.10049	1.4
269.11615	1.1
271.09564	6.4
272.06662	1.2
277.08466	1.2
277.14355	3.7
279.10037	1.3
281.07941	1.3
283.13300	1.5
285.11166	3.9
286.11801	1.2
287.09027	4.5
287.12646	4.5
295.09717	1.3
309.11124	1.8
311.12677	1.4
313.10748	1.6
315.08484	5.1
315.15851	1.5
327.12274	1.4
343.15286	10.6
369.13303	7.9
371.14786	13.0
385.16425	1.4
387.17542	1.3
401.15729	7.1
402.16464	1.8
403.17441	16.9
404.17926	1.5
431.20160	2.3
518.63342	1.0
545.52380	0.9
549.20856	3.5
595.24860	4.5
634.21863	1.0
843.31604	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04452	1.0
61.02846	1.7
61.17998	1.0
67.05404	5.4
69.03347	10.1
69.06973	6.9
70.06501	12.3
72.08047	4.7
73.02813	1.8
73.34951	0.9
74.05984	1.8
75.29283	0.9
79.05402	4.4
81.03329	4.7
81.06976	20.6
83.04916	1.1
83.08539	7.2
84.04443	2.1
84.08044	5.1
85.02824	47.1
86.09602	6.9
91.05372	5.1
93.06966	15.7
95.08524	24.6
97.02808	10.2
99.04358	1.2
103.05356	1.1
105.06963	29.4
107.08536	29.7
109.02815	2.1
109.10100	13.0
110.07082	4.7
116.10294	1.1
117.06911	1.4
119.04907	1.0
119.08533	30.1
119.82562	1.1
119.97329	1.1
120.08038	5.5
121.10089	26.2
123.11649	6.7
127.03867	8.1
129.06781	1.2
129.10213	1.9
131.08524	23.4
132.08963	1.1
133.10095	41.8
135.08035	1.9
135.11670	17.3
137.05951	4.2
137.09560	1.6
137.13208	1.3
143.08530	2.2
145.04939	10.8
145.10106	37.8
147.11661	27.2
149.13235	9.5
157.10115	7.5
158.10811	2.0
159.11658	53.5
161.13228	20.8
163.06050	4.2
163.11121	9.7
163.14764	8.9
169.10094	2.3
171.11664	11.2
173.13220	46.7
175.14784	27.7
177.12877	1.3
177.16339	24.5
183.11494	1.6
185.13228	16.3
187.14774	84.9
188.15144	2.2
189.16338	67.4
190.13376	1.9
190.16599	1.3
191.14143	1.2
191.17917	5.0
193.12177	5.3
197.13274	2.5
199.14716	6.8
201.16347	16.7
203.17847	8.1
205.12314	3.8
205.15843	81.8
207.13826	1.4
207.17371	22.5
211.14638	1.2
213.16364	5.4
215.14362	3.6
215.17949	5.8
219.13791	13.3
219.17348	4.8
221.15298	5.4
222.55450	1.0
223.14626	1.4
225.16304	1.2
227.17825	1.6
231.13693	6.2
233.15311	47.3
234.15605	1.4
241.19380	1.5
245.15327	4.8
252.91098	1.1
324.41760	1.2
365.31763	1.0
375.30145	2.5
393.31418	60.6
394.31555	4.0
411.32501	10.5
421.30942	14.8
439.31955	100.0
440.32382	7.6
441.29770	1.9
457.32977	9.2
467.31430	55.4
468.31619	2.3
485.32620	9.8
788.38635	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
69.05540	0.8
70.06516	1.0
72.08060	0.9
72.34412	0.9
79.96264	0.8
81.00945	0.8
84.08044	1.3
86.09640	1.0
90.77254	0.9
98.76273	0.8
118.48486	0.9
182.30692	0.9
203.03137	2.0
203.06746	1.6
205.04689	100.0
206.05037	1.2
213.08914	2.0
216.07504	6.2
223.05780	1.0
229.08478	1.1
233.07935	1.5
244.10786	0.9
271.42667	0.9
284.13474	0.8
361.78851	1.2
424.15720	0.9
426.16739	0.9
427.17233	1.6
439.17126	9.8
442.16125	1.8
455.20380	1.6
473.21411	1.0
474.15042	1.9
483.19864	1.1
635.24335	1.1
636.25446	22.7
637.26373	10.4
698.74988	1.0
825.31940	1.0
845.33350	68.0
846.34088	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	847.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03839	0.8
69.03368	0.6
70.06492	0.7
77.53949	0.6
86.09637	3.2
91.05424	2.8
98.98387	0.7
104.10703	3.5
107.08524	5.5
119.08532	16.6
121.92516	0.6
124.99931	0.7
133.06448	1.6
135.08037	3.4
149.02312	20.0
149.03329	1.3
167.07088	1.2
176.04416	1.1
193.04918	17.7
203.03339	0.8
205.04691	47.6
206.05110	0.8
213.08778	1.2
216.07513	5.4
229.08339	1.7
233.07899	1.3
237.07518	12.9
244.10899	0.9
257.07681	0.7
289.31339	0.6
322.55603	0.8
385.09564	1.3
421.16260	1.6
424.14624	0.8
425.15652	0.9
426.16510	1.4
427.17181	2.6
429.11722	3.1
439.17419	7.9
621.15857	1.4
635.24976	2.7
636.25439	0.8
637.25867	1.0
813.20007	1.3
847.34906	100.0
848.35022	10.1
880.42200	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
66.81948	0.8
67.05424	30.4
69.06986	46.6
71.04901	1.6
71.08546	29.1
72.66420	0.9
79.05401	10.0
81.06975	35.4
83.04910	1.5
83.08534	31.0
85.10104	18.1
92.64478	1.0
93.06967	15.8
95.08530	38.4
97.06464	4.2
97.10097	19.3
98.98392	86.2
99.08033	1.2
104.10648	1.3
107.08521	8.6
109.10104	20.4
111.08039	3.6
111.11655	4.6
116.99474	4.9
121.10096	15.4
123.11672	4.6
125.09562	1.0
135.11656	9.4
137.13225	1.5
139.11192	0.9
149.13225	4.2
155.01004	71.5
159.00488	0.9
161.79002	0.8
163.14719	1.3
167.04758	1.0
173.02104	3.6
177.16341	0.9
239.23679	5.4
247.24078	1.5
265.25211	8.4
298.77039	1.0
313.27313	31.1
314.27594	1.7
339.28867	100.0
340.29214	6.9
360.56265	0.9
393.23883	30.3
394.24161	1.6
419.25540	4.4
622.64380	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.91155	1.6
60.09594	1.7
60.54455	1.7
61.02842	13.7
67.05077	3.8
67.05424	100.0
68.05731	2.1
69.03322	2.7
69.06986	29.2
71.04905	3.5
71.08527	3.9
71.16920	2.0
79.05396	10.0
81.06969	30.5
83.08530	22.4
85.02830	16.5
85.06448	2.5
85.10110	3.7
90.01518	2.0
91.03876	9.2
91.05419	7.8
93.06954	10.8
95.04866	2.0
95.08534	31.0
97.02812	12.4
97.10091	11.2
107.08520	8.3
109.10098	98.0
111.07996	3.1
111.11660	3.0
119.08536	3.9
121.10067	11.4
127.03917	2.3
135.11620	4.5
137.09579	2.3
149.13152	2.1
164.48689	2.1
173.11690	19.8
180.08667	2.3
192.57236	2.2
229.14276	89.5
339.28894	65.5
341.14954	2.1
388.66269	2.0
493.38745	61.3
575.50403	23.5
733.84265	2.5
852.54016	3.8
872.15283	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	852.53
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02856	18.4
64.33329	1.7
67.05427	100.0
69.03379	2.2
69.06986	29.8
71.04890	3.5
71.08549	7.1
73.02827	7.4
79.05392	11.0
81.06975	35.3
83.08546	27.5
85.02823	17.3
85.06446	1.5
85.10095	2.0
91.03867	8.9
91.05406	6.8
93.06957	16.3
95.08540	29.5
97.02814	8.8
97.10091	10.3
107.08552	9.2
109.10107	91.5
111.08019	3.6
115.22863	1.6
119.08517	6.1
121.10095	10.4
123.11630	2.0
125.89630	1.5
127.03833	1.9
135.11612	3.7
137.09572	3.2
149.13199	3.5
155.10648	1.8
173.11703	22.8
229.14299	67.9
229.16551	2.9
230.14580	1.8
240.14867	1.9
265.25241	2.3
339.28882	73.7
493.38797	98.5
494.38760	5.7
575.50293	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	856.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02856	92.6
67.05427	58.7
67.05786	2.3
69.03342	7.8
69.06996	10.6
70.06524	1.6
71.04915	2.4
73.02827	33.2
74.43207	0.9
79.05401	32.1
81.03323	4.3
81.06971	64.6
83.08084	0.9
83.08533	6.3
84.08091	1.1
84.38894	0.9
85.02825	100.0
85.06478	1.2
91.03878	82.7
91.05404	16.4
93.06969	49.1
95.04925	2.0
95.08529	57.0
97.02817	44.7
97.06462	1.8
97.10091	1.9
99.04390	6.0
101.02364	1.6
105.06960	16.8
107.08540	31.4
109.02835	4.3
109.06425	1.1
109.10100	25.5
111.08062	1.2
115.03880	5.9
117.06982	6.5
119.08534	14.4
120.08082	1.3
121.10091	28.0
123.11637	11.6
127.03894	20.4
131.08540	17.4
133.10085	9.9
135.11661	21.1
137.13239	2.5
144.52625	1.2
145.04936	28.4
145.10112	14.3
147.11668	10.6
149.13245	12.3
159.11647	12.0
161.13225	7.7
163.05975	39.6
163.14783	9.1
165.12694	1.4
173.13159	11.0
175.14767	1.3
177.16385	2.4
179.14204	1.3
187.14731	7.5
201.16313	1.4
233.22624	1.2
243.21037	16.8
261.22058	50.8
262.22437	4.1
279.23276	2.3
280.69617	1.2
283.69012	1.1
325.11215	3.8
335.25726	22.7
353.26794	54.4
354.27219	5.2
390.36230	1.1
412.92206	1.2
497.30881	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	857.5138
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05425	23.2
68.19608	1.3
69.06987	8.4
70.06528	1.3
71.08549	8.8
77.89060	1.2
78.37641	1.3
79.05399	5.8
81.06973	21.8
83.08551	2.9
85.10094	2.8
91.05364	2.1
92.64491	1.3
93.06972	7.4
95.08543	18.8
109.10107	6.8
110.45077	1.2
120.96595	2.7
121.10130	1.8
123.11694	1.5
132.89023	1.3
135.11720	1.6
174.98547	1.5
203.05257	9.4
212.99945	1.3
265.00797	8.0
283.01837	100.0
284.02182	5.4
548.14203	1.5
575.50000	13.6
597.48383	9.7
856.50031	2.0
857.51190	37.1
858.51654	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	858.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02854	81.7
61.03168	2.6
67.05076	3.1
67.05424	82.0
69.03345	6.9
69.06980	28.7
69.88723	1.9
70.06499	2.0
71.04891	2.4
71.08537	2.7
72.08060	2.1
73.02827	30.8
79.05407	21.7
81.03318	2.2
81.06973	100.0
82.07270	2.1
83.08539	26.7
84.04421	2.9
84.08049	6.0
85.02826	97.2
85.10094	1.9
91.03880	95.6
91.05396	17.2
93.06967	28.3
95.04890	1.7
95.08532	95.4
96.08817	2.0
97.02822	47.6
97.06452	8.3
97.10114	13.6
99.04362	3.8
99.08010	2.3
105.06969	11.5
107.08521	18.9
109.02804	1.6
109.10094	39.3
111.11636	2.6
111.34549	1.6
113.09626	2.5
114.36907	1.7
115.03854	3.1
119.08514	14.3
121.10100	22.9
123.11681	17.4
127.03893	24.5
133.10088	19.6
135.11687	13.6
137.13222	10.6
141.12692	2.7
145.04944	23.5
147.11647	8.3
149.13228	11.4
151.14780	2.8
161.13188	11.9
163.05975	45.2
163.14777	11.7
165.16335	3.8
175.14766	10.8
179.17865	3.5
189.16298	7.4
189.61636	1.8
206.70349	1.6
236.04211	1.7
245.22549	46.9
263.23618	85.9
264.24048	2.3
281.24698	2.5
298.55975	2.0
337.23505	3.3
337.27274	54.1
338.27655	2.2
355.28329	32.0
432.05872	1.8
499.32419	7.6
791.83325	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	858.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02857	87.8
67.05073	2.2
67.05428	62.2
69.03352	8.6
69.06988	26.7
70.06495	1.8
71.04906	2.1
71.08549	5.3
72.08080	1.2
73.02834	32.2
79.05396	17.3
81.03330	4.6
81.06975	79.4
82.07304	1.2
83.01252	0.8
83.04904	1.4
83.08543	19.3
84.08050	1.0
85.02829	100.0
85.06451	1.9
85.10123	1.4
86.09622	2.1
87.04382	1.1
88.84050	0.9
91.03881	83.7
91.05400	16.3
93.06979	22.4
95.04893	1.8
95.08534	67.5
97.02824	45.3
97.03454	1.3
97.06454	5.8
97.10094	9.4
99.04385	5.4
99.08032	3.7
105.06976	9.6
107.08551	15.0
109.02821	5.0
109.10113	30.6
111.11669	2.0
113.09644	0.9
115.03900	5.7
119.08541	11.7
120.08095	1.5
121.10101	18.8
123.11649	12.8
125.76761	0.9
127.03870	24.1
129.10191	1.5
133.10083	12.9
135.11685	9.4
137.13231	4.4
141.12764	1.3
145.04950	26.3
147.11671	8.1
149.13214	7.9
151.14809	4.8
161.13229	12.8
163.05988	33.3
163.07248	1.8
163.14827	8.7
165.16382	5.6
175.14795	4.8
177.16306	1.1
180.00880	1.0
189.16219	1.5
226.93658	1.0
240.93335	1.1
245.22603	35.4
263.23639	54.7
264.23987	3.5
265.25342	1.0
281.24738	4.4
325.11148	2.3
337.27295	43.2
338.27728	2.3
355.28357	19.1
452.17999	1.0
460.44373	1.1
463.29819	1.1
499.32327	4.9
541.12946	1.1
595.31079	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02853	78.2
63.91579	1.2
65.93901	1.0
67.05424	60.8
69.03356	11.6
69.06989	16.7
70.06496	1.1
70.29156	0.9
71.04910	1.5
71.08536	4.8
73.02431	1.5
73.02827	31.7
79.05407	15.3
81.03309	2.5
81.06974	79.3
81.07449	2.8
83.08538	16.5
85.02826	100.0
85.10102	2.5
86.09602	1.3
86.23850	1.1
87.04363	1.4
91.03877	83.7
91.05405	14.1
91.82926	1.2
93.06969	20.6
95.08530	65.9
97.02821	46.8
97.06446	7.2
97.10117	10.2
99.04363	6.7
99.08003	2.5
105.06957	9.8
107.08521	15.5
109.02776	1.3
109.10107	34.3
111.08003	2.0
113.09515	1.6
115.03854	1.9
117.05408	1.5
119.08553	10.1
121.10089	15.9
123.11661	19.2
127.03862	25.4
127.35011	1.1
133.10089	16.4
135.11646	11.4
137.09572	1.3
137.13216	6.1
137.26511	1.3
139.11185	1.3
141.12668	1.6
145.04936	28.3
147.11646	11.6
149.13174	9.6
151.14769	2.6
161.13181	12.5
163.05983	45.0
163.14793	4.8
165.16344	2.7
175.14799	9.7
179.17891	5.0
184.07289	1.6
189.16312	4.4
245.22592	35.5
263.23630	65.8
264.24075	2.0
325.11182	5.0
337.27286	31.9
355.28342	20.3
610.41461	1.4
810.20026	1.4
838.19922	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.484
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02563	5.0
61.02853	99.9
64.33237	2.7
64.33591	3.1
67.05125	2.7
67.05430	36.5
69.03338	15.5
69.06976	45.9
71.04887	4.1
71.08528	5.9
73.02831	42.6
79.05393	16.6
80.63003	2.7
81.03294	3.1
81.06972	44.1
83.04861	2.8
83.08545	40.1
85.02823	100.0
91.03342	4.7
91.03873	95.8
93.06967	19.2
95.08531	42.8
97.02819	47.6
97.06447	6.2
97.10107	19.6
99.04334	4.7
107.08513	16.7
109.10101	23.3
111.07983	3.4
111.11641	4.7
115.03851	3.2
121.10084	31.7
123.11688	5.6
127.03865	30.1
135.11681	29.8
139.88094	2.9
145.04935	32.6
149.13216	12.0
163.06004	52.1
200.95538	3.1
247.24185	28.3
265.25198	53.4
283.26483	3.4
304.55923	3.4
339.28891	58.8
357.29889	69.7
358.30200	5.1
536.76270	3.0
855.74951	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	860.484
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02563	5.0
61.02853	99.9
64.33237	2.7
64.33591	3.1
67.05125	2.7
67.05430	36.5
69.03338	15.5
69.06976	45.9
71.04887	4.1
71.08528	5.9
73.02831	42.6
79.05393	16.6
80.63003	2.7
81.03294	3.1
81.06972	44.1
83.04861	2.8
83.08545	40.1
85.02823	100.0
91.03342	4.7
91.03873	95.8
93.06967	19.2
95.08531	42.8
97.02819	47.6
97.06447	6.2
97.10107	19.6
99.04334	4.7
107.08513	16.7
109.10101	23.3
111.07983	3.4
111.11641	4.7
115.03851	3.2
121.10084	31.7
123.11688	5.6
127.03865	30.1
135.11681	29.8
139.88094	2.9
145.04935	32.6
149.13216	12.0
163.06004	52.1
200.95538	3.1
247.24185	28.3
265.25198	53.4
283.26483	3.4
304.55923	3.4
339.28891	58.8
357.29889	69.7
358.30200	5.1
536.76270	3.0
855.74951	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	860.4842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.71546	1.9
61.02562	3.5
61.02855	76.0
64.83821	1.9
65.06023	1.9
67.05425	41.5
68.50044	2.1
69.03337	8.8
69.06983	53.9
71.04922	2.0
71.08528	8.6
71.80949	2.1
72.44718	2.1
73.02817	34.3
79.05405	20.9
80.45894	2.1
81.03326	2.5
81.06969	46.1
83.08531	47.3
85.02823	100.0
85.06467	2.9
86.03058	2.1
86.09618	4.8
88.80865	2.0
91.03870	71.2
91.05398	2.0
93.06965	33.8
95.08520	54.8
97.02809	44.0
97.06456	8.9
97.10085	32.7
99.04353	4.2
99.07970	2.6
107.08530	23.3
109.02874	2.0
109.10104	23.0
111.08014	3.7
111.11659	8.2
115.03870	2.4
119.61327	2.2
121.10103	44.9
123.11627	10.9
125.09588	2.6
125.13240	2.4
127.03877	22.2
135.11664	35.6
145.04898	22.0
149.13214	9.4
151.14807	3.5
162.14961	2.8
163.05960	41.2
163.14737	4.9
165.16399	2.2
247.24158	28.9
265.25177	60.7
283.26251	11.2
339.28839	77.5
357.29868	77.5
358.30304	4.1
368.32510	2.6
384.90253	2.6
501.34027	3.1
885.12708	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	860.4842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.71546	1.9
61.02562	3.5
61.02855	76.0
64.83821	1.9
65.06023	1.9
67.05425	41.5
68.50044	2.1
69.03337	8.8
69.06983	53.9
71.04922	2.0
71.08528	8.6
71.80949	2.1
72.44718	2.1
73.02817	34.3
79.05405	20.9
80.45894	2.1
81.03326	2.5
81.06969	46.1
83.08531	47.3
85.02823	100.0
85.06467	2.9
86.03058	2.1
86.09618	4.8
88.80865	2.0
91.03870	71.2
91.05398	2.0
93.06965	33.8
95.08520	54.8
97.02809	44.0
97.06456	8.9
97.10085	32.7
99.04353	4.2
99.07970	2.6
107.08530	23.3
109.02874	2.0
109.10104	23.0
111.08014	3.7
111.11659	8.2
115.03870	2.4
119.61327	2.2
121.10103	44.9
123.11627	10.9
125.09588	2.6
125.13240	2.4
127.03877	22.2
135.11664	35.6
145.04898	22.0
149.13214	9.4
151.14807	3.5
162.14961	2.8
163.05960	41.2
163.14737	4.9
165.16399	2.2
247.24158	28.9
265.25177	60.7
283.26251	11.2
339.28839	77.5
357.29868	77.5
358.30304	4.1
368.32510	2.6
384.90253	2.6
501.34027	3.1
885.12708	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	862.645
Annotation	Unknow
Peak:m/z	Relative Intensity
71.08523	44.9
72.51185	5.7
73.06458	7.2
85.10104	11.0
87.04399	9.0
89.05947	100.0
93.62265	5.7
119.39845	6.1
127.75734	5.3
133.08562	43.5
144.74899	6.8
161.11725	6.5
177.11171	25.4
299.29172	6.8
391.71634	6.7
421.28067	6.9
749.32874	7.4
793.93915	7.5
862.62341	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	864.535
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06017	17.4
67.05434	5.1
69.06994	5.8
70.06510	0.8
71.08550	18.0
77.42016	0.6
81.06972	6.9
83.08533	6.3
84.08067	1.3
85.10107	9.6
86.09634	1.6
89.05950	0.9
95.08539	11.5
97.10087	3.8
98.98393	7.3
103.07586	0.6
109.10079	4.1
120.07991	0.9
123.11673	1.3
124.01585	1.1
155.00974	6.8
173.02069	0.8
173.40161	0.7
198.05289	0.8
216.06366	1.1
219.42683	0.7
224.87991	0.7
231.86067	0.8
239.23586	3.2
282.27838	14.2
313.27301	100.0
314.27707	4.7
339.28772	2.6
393.23819	7.9
399.28708	0.8
436.28217	25.2
454.29172	38.4
455.29761	1.3
604.09961	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03860	1.3
67.05425	58.0
69.06650	0.9
69.06985	16.0
70.06514	0.8
71.04901	0.8
75.04379	1.0
79.05405	37.7
81.06973	58.9
83.04903	0.7
83.08530	6.3
84.08068	0.6
85.06479	0.6
86.09627	0.7
91.05401	17.4
92.11015	0.7
93.06360	0.9
93.06968	41.5
95.04874	4.4
95.08527	45.2
97.06454	2.5
97.10091	2.7
97.52364	0.5
98.98392	51.1
99.08029	0.8
105.06972	9.9
105.56090	0.6
107.08529	23.8
109.06438	1.0
109.10104	15.2
116.99432	2.4
117.06963	4.1
119.08516	11.9
119.76599	0.5
121.10090	17.0
123.07996	1.0
123.11661	4.8
129.45174	0.5
131.08530	9.1
133.10089	6.4
135.08052	1.8
135.11659	11.0
137.09584	1.0
137.13229	1.2
145.10120	4.4
147.11665	3.6
148.69585	0.5
149.13237	5.8
155.01028	5.6
159.11667	3.7
161.13216	2.7
163.14745	3.4
173.02071	2.8
173.13223	2.8
175.14894	0.7
187.14754	0.8
220.10689	0.5
243.21002	5.0
261.22034	15.8
317.24731	1.1
335.25723	100.0
336.26111	6.0
342.81329	0.6
415.22409	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05424	46.0
67.54129	1.2
69.06977	12.2
70.06495	1.6
76.56512	1.1
79.05400	39.9
81.06510	2.2
81.06969	54.6
83.08510	2.9
84.08032	1.8
86.09607	1.6
91.05391	20.9
92.63400	1.3
93.06966	48.1
95.04850	2.1
95.08533	40.3
97.10140	1.5
98.98394	100.0
105.06984	16.6
107.08527	28.5
109.10096	14.5
116.99442	8.9
117.06945	5.4
119.08555	13.8
121.10107	26.4
123.11660	3.3
131.08514	11.6
133.10098	9.4
135.11649	15.5
137.13228	1.6
140.00960	1.6
145.10075	9.0
147.11635	6.9
149.13187	7.8
155.01004	21.5
159.11674	7.5
161.13171	6.8
163.14764	6.2
173.02051	8.1
173.13222	7.6
175.14774	1.6
187.14795	2.4
233.22638	1.4
242.37903	1.3
243.21019	16.4
261.19534	2.6
261.22067	39.1
262.22333	2.2
317.24655	3.2
335.21832	1.9
335.25757	42.3
347.81525	1.5
415.22247	3.3
441.99854	1.4
556.13251	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03850	2.3
67.05424	72.6
69.03311	0.5
69.06985	35.6
71.04896	2.4
71.08545	2.1
75.04395	0.5
79.04951	1.0
79.05404	20.4
81.03326	0.6
81.06971	70.6
82.07324	0.9
83.04900	2.0
83.08535	17.9
85.06454	2.0
85.10070	0.6
91.05401	14.2
92.10910	1.0
93.06969	20.3
95.04902	1.2
95.08530	56.4
95.65305	0.5
96.08857	0.9
97.06451	5.2
97.10101	7.8
98.98394	56.3
99.08016	2.4
101.68371	0.4
105.06974	7.8
107.08529	10.4
109.06458	1.9
109.10101	23.3
111.08016	2.9
111.11655	0.7
116.99460	4.1
119.08529	7.2
121.10074	8.0
123.08027	0.9
123.11654	8.0
125.09548	0.7
133.10097	7.2
135.11650	3.9
137.09584	0.8
137.13228	3.2
139.11058	0.5
147.11670	6.0
149.13222	2.4
151.14793	1.2
154.99803	1.0
155.01010	19.7
161.13234	4.3
163.14787	2.6
173.02029	5.0
175.14740	3.0
189.16312	0.7
197.22046	0.5
231.06444	0.6
245.22482	4.8
263.23627	15.1
337.27286	100.0
338.27515	4.5
417.24200	0.9
626.76923	0.6
684.11108	0.6
767.60925	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.352
Annotation	Unknow
Peak:m/z	Relative Intensity
66.67779	0.8
67.04794	1.0
69.06987	1.1
70.02855	1.4
70.06508	100.0
71.06832	1.4
72.08073	11.1
74.05985	17.3
82.02866	2.1
84.04419	18.6
84.08056	20.7
85.02871	1.1
85.08385	1.4
86.09624	11.6
88.03918	5.2
89.00185	0.8
91.05412	2.3
92.63156	1.0
94.80478	0.9
99.05507	5.9
101.07072	1.3
102.05479	3.8
103.05413	2.4
105.06985	1.7
110.02340	1.7
110.06006	1.6
110.07129	7.3
113.07140	1.4
115.08700	1.5
119.04893	2.4
120.08054	50.9
120.08922	1.9
121.08386	1.4
123.04348	1.4
127.04992	4.2
129.10211	11.7
131.04886	2.3
136.03960	1.5
136.07549	11.8
137.05959	4.1
138.87492	1.2
139.04950	3.6
150.01825	1.2
151.03856	1.4
165.05418	1.5
167.04492	7.2
167.06949	1.0
169.13263	1.3
172.07518	3.7
178.09753	1.0
179.08093	1.9
181.06055	7.1
182.08154	1.5
183.11562	1.1
193.06029	10.4
199.07082	1.4
200.07014	2.2
204.06584	2.0
209.05582	3.8
217.09824	7.0
217.13335	11.5
227.06493	4.0
245.12807	4.8
249.08873	1.2
262.11905	1.9
263.10080	1.4
292.09143	1.3
329.14917	1.1
338.13290	1.1
342.14398	2.5
426.20258	21.9
427.20660	1.2
454.15857	1.3
535.21625	4.5
552.24103	3.7
554.20642	1.2
783.07959	1.2
861.32684	1.7
879.32635	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	890.5506
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05428	12.1
69.06982	24.2
71.04874	0.7
71.08533	5.0
72.63867	0.7
79.05402	4.7
81.06973	13.5
83.08537	18.4
85.10101	1.4
91.85357	0.7
93.06972	7.1
95.08544	11.2
97.06466	2.9
97.10091	8.7
98.98376	1.5
107.08537	5.1
109.10091	6.5
111.08016	1.0
111.11668	1.7
121.10083	8.1
123.11700	1.7
125.09570	1.4
135.11667	5.3
149.13228	4.0
215.30855	0.8
247.24190	1.2
286.16180	0.9
308.29535	1.8
313.27472	0.9
329.47006	0.8
339.28870	100.0
340.29190	5.3
345.22473	0.8
480.30664	4.2
484.83102	1.0
726.16693	1.0
920.88318	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.5506
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06021	0.6
67.05428	11.3
69.06986	24.1
71.04906	0.5
71.08543	4.6
72.08859	0.4
79.05408	5.5
81.06506	0.7
81.06969	16.0
83.04908	0.5
83.08539	17.3
85.06468	0.7
85.10097	1.9
88.49032	0.4
91.05422	0.5
93.06970	8.5
94.07240	0.5
95.08530	15.5
97.06458	3.4
97.10095	9.2
98.98393	1.0
104.10676	0.5
105.96288	0.5
107.08541	4.9
109.10094	7.3
111.08016	1.7
111.11669	2.5
121.10097	8.4
123.11659	1.6
124.01524	0.7
125.09601	1.5
135.11670	6.5
139.11206	0.6
144.73055	0.4
149.13228	2.6
150.36952	0.4
153.12695	0.8
163.14807	0.8
173.51082	0.4
247.24185	1.9
247.76076	0.4
265.25223	1.9
308.29346	4.1
313.27356	1.7
339.28873	100.0
340.29123	6.9
454.29352	0.6
480.30704	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	891.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05430	40.7
69.06989	22.0
70.06506	1.1
71.08567	1.2
79.05424	8.5
81.06506	1.8
81.06975	42.7
82.41187	0.9
83.04879	1.6
83.08540	11.6
84.08102	1.0
86.09618	1.5
91.05397	8.6
93.06959	11.8
95.04885	1.3
95.08532	30.7
97.06467	1.4
97.10101	6.4
100.04864	1.1
105.06971	6.2
107.08529	6.6
109.10110	13.8
118.91378	1.0
119.08510	3.9
120.08060	1.4
120.96598	33.6
121.10101	5.1
123.11667	2.6
133.10089	4.9
135.11674	2.0
137.13284	1.5
147.11691	5.0
161.13176	1.3
174.98479	4.3
195.00298	5.2
213.00040	5.9
234.76462	1.2
236.94157	10.2
247.20853	1.3
254.95093	36.6
263.23743	1.4
263.66614	1.1
292.96655	15.9
310.97696	2.4
330.98438	1.2
337.27316	34.2
348.99295	1.6
359.25409	7.3
431.11795	1.3
457.23184	100.0
458.23468	6.8
537.17987	1.6
555.19824	1.4
593.20917	5.7
611.21558	1.7
855.43207	6.9
873.44287	5.9
891.44965	4.2
900.80493	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
76.76707	0.5
81.82832	0.5
84.24206	0.5
94.92950	0.9
99.45224	0.5
102.66689	0.5
141.61110	0.6
164.93471	0.8
176.97545	0.5
186.93036	2.2
192.93027	0.7
193.21794	0.6
209.95633	6.8
210.94025	100.0
228.94157	2.7
246.95317	0.9
381.07858	13.1
553.04968	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.412
Annotation	Unknow
Peak:m/z	Relative Intensity
62.85336	0.1
63.73812	0.1
63.92602	0.1
67.92503	0.1
68.04939	0.3
70.06512	49.6
71.06841	0.4
72.08067	0.7
79.05404	0.3
82.02874	0.9
84.04433	1.2
84.08076	1.0
85.02831	0.2
86.09639	0.8
91.05392	1.6
92.16396	0.1
93.06983	2.2
94.06487	0.3
95.04924	0.3
96.04424	3.4
98.05991	0.3
100.05096	0.2
102.05476	0.2
103.05396	6.6
105.06968	1.5
107.04928	0.2
108.08075	0.7
109.10191	0.2
110.02345	0.2
110.07101	0.2
113.07059	0.3
114.05514	0.3
115.08630	1.3
116.07046	0.7
118.06509	0.2
119.04889	1.5
119.07278	0.2
120.08061	100.0
121.08399	2.8
123.04401	1.5
123.67529	0.2
124.27706	0.2
128.03427	0.3
129.10220	0.4
130.06503	1.2
131.04893	0.7
132.08066	0.2
134.05981	0.4
135.06772	1.0
136.07553	4.6
137.05960	0.7
137.07079	1.1
144.08057	0.3
146.06036	0.4
147.04440	0.2
147.19600	0.2
151.08643	5.7
151.09756	0.3
155.08151	0.2
162.05513	0.3
165.05431	0.7
171.04395	0.2
172.07475	1.7
179.08130	10.8
179.09706	0.4
180.08476	0.3
182.08119	0.4
188.07054	2.6
199.12299	0.2
200.06993	1.5
204.06595	0.4
205.08528	0.4
207.07631	2.9
217.09705	2.4
217.13329	0.4
224.10268	0.3
281.85818	0.2
297.12296	2.1
300.22131	0.2
308.13947	0.7
314.14929	17.5
314.56808	0.2
315.13293	0.8
325.11676	1.9
329.14905	0.2
342.14429	19.2
343.12656	2.6
354.14343	0.4
360.15515	2.8
371.12238	1.7
388.09940	0.3
388.14941	8.5
389.15179	0.2
416.19431	0.3
418.21252	0.7
444.18967	0.9
446.20865	0.3
462.20154	1.1
489.21371	0.7
490.19971	1.1
507.22192	1.8
535.21790	61.3
536.22052	5.1
823.92102	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.6783
Annotation	Unknow
Peak:m/z	Relative Intensity
63.27399	0.1
66.21966	0.2
67.05412	0.8
69.03331	0.2
69.06969	0.9
70.06506	2.3
72.65905	0.1
79.05396	0.2
81.06968	1.1
82.06049	0.3
82.06493	5.1
83.04504	0.2
83.04893	2.7
83.08535	18.2
84.08057	2.0
84.08839	0.2
85.06451	1.3
91.05357	0.2
93.06957	0.2
94.06448	0.3
96.08045	0.8
97.06437	0.6
98.09609	3.0
100.07541	9.5
100.11181	100.0
101.11511	2.4
105.06940	0.2
110.05991	3.4
110.21101	0.1
111.04385	14.0
112.07545	4.3
112.11185	0.8
117.13832	2.0
126.09113	3.8
126.31084	0.2
127.08627	3.1
128.07025	12.0
129.05415	0.7
135.11687	0.2
137.05870	0.2
139.08629	6.5
140.07031	5.3
142.08594	0.2
144.27563	0.2
147.11668	1.1
149.13252	0.3
150.12781	0.3
153.12631	0.2
164.14275	1.2
166.15840	2.4
168.13850	0.9
174.12746	0.3
175.11157	0.3
180.24886	0.1
182.15361	51.4
183.15717	2.0
192.13828	2.4
200.83878	0.1
203.04581	0.1
209.14882	0.7
209.16447	39.1
210.14853	62.0
211.15225	2.3
226.19081	9.1
227.17479	4.8
227.19423	0.5
228.15884	5.8
229.16331	0.2
245.18626	0.9
255.09900	0.2
291.24295	0.2
308.23621	0.2
308.26990	0.7
309.21960	0.3
309.25250	3.5
326.27945	9.0
327.28424	0.3
335.24454	1.0
336.22723	7.2
336.26611	0.3
337.20792	2.5
343.30618	4.4
344.31204	0.2
365.36853	0.2
417.32629	0.5
434.34506	0.3
435.33292	2.8
436.31531	1.4
452.35867	3.8
453.34109	3.6
454.33807	0.3
471.35138	0.3
534.43848	0.4
535.42609	0.2
544.37640	0.2
552.44739	2.7
553.44977	0.7
569.47504	1.0
661.49609	0.2
678.52423	0.8
679.51892	0.6
778.61230	0.3
887.66711	6.4
888.66736	1.2
905.67725	91.8
906.68018	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	906.5817
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05433	0.3
69.06973	0.3
70.06474	0.2
71.07281	6.5
71.08543	2.3
79.20533	0.2
79.62758	0.2
81.06960	1.0
83.08547	0.6
84.23393	0.2
85.10117	1.2
86.09621	59.7
87.09934	0.4
95.08531	1.0
98.98388	3.1
104.10673	94.8
105.11018	1.1
109.10096	0.7
124.99957	33.7
143.01041	0.8
163.01538	1.1
181.02573	0.2
184.07294	100.0
185.07626	0.8
258.10977	0.9
265.70789	0.2
284.72998	0.2
313.27332	3.1
382.00052	0.2
419.25711	0.4
478.32846	6.8
496.33865	64.4
497.34171	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	907.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
63.20346	0.1
67.05412	0.1
68.04963	0.5
68.63336	0.1
70.06507	48.5
71.06847	0.5
72.08082	0.5
75.41302	0.1
77.10506	0.1
79.05392	0.3
81.06953	0.2
82.02837	1.1
84.04420	1.0
84.08079	0.9
84.76458	0.1
86.09622	0.5
91.05419	1.4
93.06963	2.2
94.06491	0.2
95.04871	0.5
96.04407	4.0
103.05404	6.6
105.06969	1.5
107.04884	0.2
108.08083	0.6
109.06507	0.1
109.10078	0.8
110.02373	0.6
110.07146	0.1
113.07068	0.3
114.05489	0.5
115.08640	1.3
116.07053	0.3
118.06514	0.2
119.04896	1.7
119.07298	0.2
120.08054	100.0
121.06477	0.2
121.07581	0.2
121.08395	2.6
123.04382	1.7
123.09134	0.2
128.03407	0.4
129.10149	0.5
130.06485	1.3
131.04926	0.5
132.08060	0.1
134.05981	0.5
135.06744	0.7
135.11703	0.5
136.07542	4.7
136.08521	0.2
137.05952	0.6
137.07085	1.2
137.09578	0.1
144.08075	0.2
146.06036	0.6
147.04407	0.2
149.07103	0.2
151.08635	6.0
152.08984	0.2
155.08124	0.1
157.06445	0.2
162.05515	0.3
165.05426	0.7
172.07503	1.7
174.09100	0.2
175.08696	0.1
175.14990	0.2
179.08112	11.4
180.08513	0.2
182.08075	0.3
188.07036	2.4
188.16394	0.1
193.15810	0.2
194.48282	0.1
200.07022	1.6
204.06638	0.5
205.08481	0.5
207.07614	2.9
211.16959	0.6
217.09674	2.1
217.13216	0.4
224.10161	0.3
228.06589	0.2
238.12253	0.2
240.13733	0.2
245.12982	0.1
255.11244	0.2
263.10220	0.1
269.13239	0.2
284.12753	0.5
297.12329	2.1
307.62842	0.1
308.13879	0.7
309.97086	0.1
314.14908	16.3
315.13235	0.7
315.15579	0.6
325.11710	2.3
327.13388	0.2
329.14825	0.5
342.14395	21.0
343.12402	2.5
354.14447	0.5
360.15488	2.8
361.15930	0.2
361.77280	0.2
371.12253	1.6
386.15829	0.2
388.14938	8.8
389.15454	0.6
416.19485	0.6
418.21158	0.7
444.19110	0.7
446.20462	0.4
462.19870	1.2
489.21350	1.0
490.20142	0.8
507.22223	1.7
535.21765	63.1
536.22095	5.5
537.22198	0.5
554.18848	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05423	18.1
69.06984	8.6
70.06547	0.9
74.20285	0.7
79.05403	5.9
81.06976	20.3
83.08531	3.7
91.05410	4.1
93.06959	4.3
95.04935	0.9
95.08525	14.3
97.10079	1.2
105.06953	1.8
107.08533	1.2
109.10105	5.4
119.08546	1.3
134.99557	1.0
135.11601	1.2
154.94130	8.5
172.95187	47.1
190.96240	52.1
208.97302	1.6
210.96597	6.0
213.97835	3.3
221.98016	0.8
228.97832	25.2
230.99390	1.5
246.98813	5.8
252.91786	1.3
270.92728	1.1
308.94168	1.2
319.19336	11.2
335.18936	1.6
337.20422	32.4
337.27026	9.4
338.20624	1.4
355.21674	1.9
371.23300	1.1
389.33133	1.0
399.15930	1.9
417.16998	1.9
455.18402	8.4
473.19693	100.0
474.20404	6.2
496.20901	3.5
553.16425	1.8
609.18713	1.9
627.19769	1.2
871.41077	5.0
889.42487	11.6
907.43707	20.1
908.43274	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.535
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03864	0.4
67.05425	27.0
68.05755	0.3
69.03345	0.2
69.06984	18.7
70.06489	0.2
71.04893	0.8
71.08540	0.9
73.06445	0.2
79.04956	0.3
79.05406	7.3
81.06969	29.8
81.42380	0.2
82.07295	0.3
83.04889	1.1
83.08033	0.3
83.08533	9.3
85.06451	0.9
86.09600	0.2
91.05402	5.0
92.05753	0.2
93.06966	8.0
95.04885	0.9
95.08529	23.6
96.08889	0.2
97.06442	1.6
97.10088	4.7
98.05977	0.4
98.98404	0.9
99.08002	0.7
105.06974	3.8
107.08524	4.6
109.06474	0.3
109.10099	8.8
111.08028	1.0
111.11664	0.8
113.09534	0.2
117.06966	0.2
119.08535	3.2
121.10091	3.9
123.08035	0.8
123.11672	3.1
124.01583	0.3
124.93761	0.3
125.09579	0.4
133.10097	3.5
135.11659	2.0
137.09552	0.7
137.13217	1.1
139.11174	0.2
147.11668	2.1
149.13197	0.8
151.14775	0.3
153.12686	0.3
155.01038	0.3
161.13289	1.5
163.14813	0.4
175.14835	1.3
177.16306	0.2
189.16446	0.3
193.15746	0.2
198.05333	0.2
216.06302	0.4
237.04004	0.2
245.22847	0.3
250.13368	0.2
259.82321	0.2
263.23645	1.1
306.27838	2.7
322.75391	0.2
337.27286	100.0
338.27600	5.6
365.30441	0.2
388.22855	0.2
444.65866	0.2
460.27811	0.9
467.22620	0.2
478.22623	0.3
478.29144	6.0
479.21863	0.2
560.09174	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	912.5356
Annotation	Unknow
Peak:m/z	Relative Intensity
64.22314	0.5
65.03870	0.7
67.05426	33.9
69.06984	17.1
71.08540	0.7
79.05404	11.8
81.06973	36.2
83.04890	1.2
83.08541	7.5
85.06442	0.7
88.23122	0.6
91.05391	5.7
93.06965	11.8
95.04921	0.8
95.08529	28.1
97.06440	1.2
97.10117	4.4
98.05994	2.4
98.93304	0.6
98.98398	13.3
105.06996	5.1
105.98160	0.6
107.08529	7.2
109.10094	11.1
111.07966	0.6
119.08487	3.6
121.10086	6.2
123.11636	4.2
124.01534	2.6
133.10078	4.4
135.11642	3.2
136.69110	0.6
137.13213	2.5
147.11618	2.4
149.13245	1.2
154.89674	0.6
155.01044	4.6
163.14804	0.8
173.02039	2.7
175.14757	0.8
179.48550	0.6
198.05197	2.7
216.06274	3.2
245.22542	2.6
263.23642	6.8
306.27859	12.8
307.28131	0.9
319.26248	0.7
337.27289	100.0
338.27670	4.1
344.97754	0.6
409.76138	0.9
417.24008	4.4
424.95255	0.7
460.28082	37.6
461.20340	1.3
461.28049	1.2
478.29166	59.3
479.29514	2.9
518.56989	0.7
569.08868	0.7
684.49353	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5663
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05073	0.4
67.05427	10.8
69.06989	21.8
71.04891	1.0
71.08553	4.3
73.06451	0.2
79.04962	0.2
79.05411	5.1
81.06976	13.0
82.07304	0.2
83.04894	0.4
83.08541	15.8
85.06460	0.9
85.10104	2.0
88.62418	0.2
91.05388	0.5
93.06977	7.5
95.04893	0.3
95.08536	13.2
96.08872	0.2
97.06469	2.7
97.10100	9.0
98.05981	0.2
98.98411	0.3
104.10651	0.3
107.08543	5.3
109.10111	6.6
111.08028	1.5
111.11660	2.7
117.12765	0.2
121.10098	7.1
123.11662	1.7
124.01558	0.4
125.09576	0.9
125.13176	0.3
135.11662	6.3
137.13242	1.0
139.11157	0.8
149.13237	2.8
151.14825	0.4
153.12727	0.7
163.14844	0.8
165.16301	0.2
177.16310	0.3
181.15778	0.3
191.17773	0.3
191.34200	0.2
211.42517	0.2
216.06233	0.7
247.24171	1.2
265.25238	1.5
308.29410	3.1
339.28888	100.0
340.29230	6.1
444.03430	0.2
462.29932	0.3
480.30789	5.0
481.22443	0.2
481.30746	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.567
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05429	12.6
69.06653	1.2
69.06991	22.3
71.04915	0.8
71.08533	1.9
71.10828	0.7
74.36739	0.6
75.15350	0.7
76.57043	0.8
78.51545	0.8
79.05405	4.7
81.06978	13.5
83.08547	16.4
85.10101	1.1
93.07002	6.9
95.08539	15.6
97.06491	0.8
97.10092	7.4
98.05968	1.5
98.98405	8.0
107.08533	4.3
109.10127	6.8
111.11693	2.0
121.10093	6.7
123.11690	1.1
135.11668	5.3
149.13217	1.8
155.01028	7.9
173.02080	1.0
216.06271	1.9
239.93494	0.8
265.25223	3.5
308.29474	13.7
339.28903	100.0
340.29016	6.8
419.25467	7.8
462.29688	32.3
480.23886	1.7
480.30759	45.7
481.30756	3.5
621.48004	0.9
677.96143	1.1
766.35211	1.2
768.87518	1.0
786.93658	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5754
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03848	5.6
67.05402	1.3
69.06972	7.2
72.08477	1.2
73.88953	1.4
81.06968	1.1
83.04894	77.3
83.08529	1.4
88.83400	0.9
91.05402	11.2
93.06962	1.2
95.08549	2.3
96.53616	1.1
97.10035	1.8
98.98389	5.2
105.06934	4.8
110.91767	1.2
115.05401	1.9
117.06926	2.7
119.08540	4.5
121.10045	1.9
128.79483	1.1
129.06995	2.1
131.08481	1.4
132.09309	1.6
133.10065	4.6
141.06964	13.0
147.10501	1.5
147.11652	41.0
151.01492	8.7
159.08073	9.6
163.01495	4.7
169.07527	1.4
175.01503	12.7
181.02539	1.6
187.01582	1.4
221.03601	1.4
227.04607	7.6
239.04543	13.9
260.99130	2.3
282.27780	7.9
295.10831	2.3
337.02267	80.2
353.07086	1.2
393.03894	2.0
393.08499	34.1
413.05392	1.4
462.34192	1.3
469.11627	17.7
525.10571	1.4
525.17908	28.4
526.18066	1.6
581.24091	65.9
582.24152	1.8
637.30389	100.0
638.30536	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	919.5293
Annotation	Unknow
Peak:m/z	Relative Intensity
63.97681	0.3
67.05427	8.0
69.06985	6.5
70.06509	0.6
70.76116	0.3
71.08543	25.5
75.04385	0.5
79.05363	0.5
81.06973	9.4
82.38901	0.4
82.66948	0.4
83.08533	9.1
85.09631	0.7
85.10103	14.2
89.05934	2.4
93.06984	0.6
95.08528	15.0
96.39629	0.4
97.10096	2.5
98.40079	0.4
98.98396	8.0
99.11645	1.0
100.31183	0.4
101.55469	0.4
103.07541	1.6
104.10664	0.9
107.08520	0.6
109.10094	6.6
111.11619	0.5
123.11656	3.4
137.13213	1.5
155.01039	2.6
168.48331	0.4
169.23184	0.4
189.30994	0.4
239.23543	0.8
257.24728	2.8
313.27298	100.0
314.27701	4.7
449.26465	1.9
632.72144	0.5
678.37933	0.5
917.55957	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
68.20500	0.3
69.03326	0.3
70.06508	3.0
72.08072	25.1
72.20663	0.3
73.61174	0.2
74.05991	62.7
82.06493	1.9
83.06055	0.3
84.04430	10.7
84.08063	2.9
85.02837	0.3
86.05973	6.0
86.09624	1.1
89.07100	0.3
92.10229	0.5
95.08535	0.5
97.25648	0.2
99.09148	5.6
100.07548	1.3
101.07082	7.0
102.05470	8.3
110.05991	2.2
110.07124	0.5
112.03909	0.6
114.05481	12.2
127.08648	5.9
128.07030	0.3
128.10664	0.4
129.06607	0.6
129.10162	1.1
130.04965	11.5
137.05983	1.2
137.06999	0.4
138.05467	0.6
138.09105	0.5
145.09698	27.1
147.07631	9.5
148.05916	0.5
155.08128	21.7
156.10150	0.5
169.09698	4.3
171.07600	4.2
171.14891	2.6
173.09186	21.6
173.12807	0.6
179.08185	0.5
183.07597	1.1
183.11259	6.5
184.06039	3.8
187.10776	2.3
197.09189	100.0
198.09613	2.1
198.12314	0.5
199.14378	0.5
201.08679	20.3
201.12279	5.6
207.13867	0.4
214.11885	0.5
215.10240	29.3
218.11292	2.4
226.15298	0.3
227.13730	0.3
229.11797	2.1
240.13388	20.7
242.11263	1.1
254.15068	0.6
258.14444	4.2
268.12869	49.9
269.13159	1.8
274.13773	1.3
282.18097	1.5
284.12277	1.7
286.13934	35.5
287.14111	1.3
300.15375	1.1
300.19077	0.5
302.13409	14.7
303.13864	0.3
319.15961	1.2
369.17014	0.4
397.17084	7.1
401.20520	0.6
409.18365	0.4
415.18146	28.5
416.18256	1.2
418.22760	3.3
486.25241	0.4
496.23984	0.6
500.26810	0.4
514.25018	48.0
515.25293	2.0
517.29535	1.4
545.18915	0.4
601.32312	0.4
613.31818	21.5
614.31592	1.6
646.33649	0.4
670.34204	1.1
678.33765	0.3
696.35547	15.5
697.35193	1.2
714.36731	6.7
715.36035	0.4
767.39178	14.3
768.38306	0.5
814.89886	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.5973
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05425	0.3
69.06990	0.6
71.07287	2.9
71.08540	0.2
81.06984	0.2
83.08531	0.2
84.18639	0.1
86.09627	38.4
87.09959	0.2
93.28127	0.2
95.08582	0.2
98.98396	2.7
104.10680	10.7
108.64301	0.2
124.99962	27.0
132.74295	0.1
143.01038	0.6
184.07306	100.0
185.07678	1.5
255.72163	0.2
258.10907	0.2
265.36349	0.2
273.10995	0.2
339.28873	0.2
478.32990	0.3
496.33917	6.3
496.55841	0.2
497.34116	0.3
504.34225	1.0
522.35449	15.7
523.36035	1.3
572.78693	0.2
694.98676	0.2
804.36053	0.2
833.47430	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.5636
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05424	81.7
69.06986	29.2
71.04913	1.0
71.08534	1.2
73.02829	0.8
75.04383	0.9
79.05405	39.7
81.03311	1.1
81.06970	100.0
82.07317	1.1
83.04888	1.6
83.08536	17.6
84.05093	0.8
84.08073	1.9
85.02821	4.2
85.06448	1.9
89.44141	0.8
91.05403	19.7
93.06973	41.4
95.04893	3.8
95.08529	81.1
96.08901	0.8
97.02797	1.1
97.06465	4.5
97.10093	8.0
98.98391	67.4
99.08050	1.3
105.06982	17.5
107.08529	25.2
109.06429	1.3
109.10103	32.6
111.08047	3.9
111.11650	1.7
113.09539	0.8
116.99455	4.2
117.06962	5.0
119.08532	17.5
120.08096	1.4
121.10078	23.5
123.07964	1.3
123.11637	13.7
125.09640	1.2
131.08530	7.7
133.10081	13.8
134.39528	0.9
135.11667	14.1
137.09575	1.7
137.13235	5.7
145.10051	7.6
147.11665	9.0
149.13261	10.7
151.14804	1.8
155.01010	28.8
159.11653	5.2
161.13199	7.9
163.14758	8.1
163.91782	0.8
171.10570	0.8
172.89964	1.0
173.02051	4.4
173.13161	6.0
175.14795	4.3
177.16385	1.0
187.14796	3.6
201.16093	0.9
243.20961	7.6
245.22572	10.3
245.90471	1.1
261.19565	1.0
261.22028	25.5
263.23663	29.9
279.23068	1.3
335.25665	15.3
337.27280	89.2
338.27509	5.3
353.26718	10.2
359.76431	0.9
417.23840	4.4
497.30774	10.2
499.97510	0.9
544.61389	1.0
916.94293	0.9
969.65363	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.5636
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05427	88.1
68.05749	0.9
69.06987	28.1
70.06502	3.3
71.04902	1.5
71.08542	3.0
72.08084	1.1
73.02805	0.8
74.03960	0.7
75.04385	1.3
76.43948	0.7
79.05407	47.4
81.03352	0.9
81.06974	100.0
82.07288	1.3
83.04888	1.2
83.08536	19.2
84.04427	0.9
84.08053	2.0
85.06459	2.1
86.09604	1.1
91.05402	26.5
93.06972	57.8
95.04888	5.2
95.08531	87.2
97.02820	0.9
97.06444	5.9
97.10095	7.4
98.98396	92.0
99.08012	1.4
105.06973	18.8
106.34338	0.8
107.08537	34.9
109.06476	1.4
109.09403	1.6
109.10108	38.7
109.10863	1.3
111.08041	3.3
111.11626	1.1
116.99444	7.1
117.06962	5.2
119.08530	15.3
121.10096	29.6
123.08024	1.6
123.11652	18.6
125.09510	1.2
131.08519	12.9
133.10106	15.2
135.11649	22.8
137.09554	1.6
137.13271	7.2
139.11200	1.1
145.10110	10.3
147.11673	11.7
149.13258	15.2
151.11154	1.4
151.14755	3.6
155.01015	56.8
159.11671	8.4
161.13235	10.3
163.14796	11.1
165.16374	1.8
173.02087	7.0
173.13216	10.9
174.13812	0.9
175.14799	5.0
177.16313	1.5
187.14799	1.9
189.16357	1.8
201.16370	1.2
243.21021	13.3
245.22565	16.4
261.22070	39.0
262.22354	3.4
263.23648	43.5
264.23978	2.0
279.23053	1.4
335.25778	7.5
337.27277	37.9
338.27817	1.3
353.26874	18.1
369.26144	0.9
417.24054	9.4
447.82083	0.9
450.93600	0.9
485.24344	0.8
497.30878	5.3
515.17700	0.9
579.19696	0.8
742.91772	1.0
953.31952	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.5505
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05416	0.6
67.86307	0.2
70.06502	1.1
71.07284	3.5
75.10735	0.3
75.18306	0.2
81.06960	0.4
84.08053	0.5
86.09624	39.9
87.09970	0.4
87.81081	0.2
95.08523	0.4
98.98399	2.9
104.10678	3.8
120.08010	0.4
124.99960	28.7
143.00989	0.4
160.33237	0.3
171.55748	0.3
184.07301	100.0
185.07736	0.5
390.18872	0.3
465.53241	0.4
500.30960	1.2
518.32288	16.2
519.32257	0.6
662.84210	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.5949
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04934	0.5
67.05428	47.9
68.05745	0.5
69.06987	43.2
69.40664	0.6
71.04887	2.1
71.08555	6.3
71.30448	0.5
73.02788	0.6
75.04396	0.8
79.05403	16.9
81.06973	58.5
83.04897	2.3
83.08535	32.9
85.02819	0.9
85.06454	2.4
85.10081	3.6
86.09618	2.6
87.62439	0.5
91.03854	1.1
91.05411	7.1
93.06973	25.8
95.04884	1.0
95.08529	54.0
97.06470	7.3
97.10098	20.3
98.98393	36.6
99.08013	2.3
101.02366	0.6
105.07005	4.6
107.08540	13.4
109.06443	0.6
109.10094	23.2
110.75059	0.5
111.08041	5.8
111.11684	4.8
113.09554	0.9
116.99440	2.7
119.08511	5.0
121.10081	18.3
123.11660	9.1
124.99990	0.8
125.09571	2.5
125.13198	0.7
127.11122	0.7
130.53130	0.6
133.10101	6.7
135.11646	13.6
137.13223	3.4
139.11169	1.1
146.98090	1.2
147.11638	4.5
149.13266	6.2
151.14777	2.3
153.12692	0.9
155.01003	21.5
161.13188	4.4
163.14796	4.9
165.16331	3.3
167.14258	0.8
173.02022	2.5
175.14758	2.4
177.16400	1.2
179.17833	0.8
184.07246	2.4
189.16309	0.7
216.38481	0.6
245.22574	13.1
247.24094	3.9
263.23608	19.7
265.25201	11.1
317.81537	0.7
337.27283	20.6
338.27563	0.8
339.28864	100.0
340.29184	4.0
355.28381	2.1
419.25543	10.8
499.32495	9.0
500.32800	0.7
544.33392	2.3
560.12726	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.5951
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05431	82.3
68.05766	0.9
69.03326	1.3
69.06990	56.5
71.04903	2.7
71.08543	8.8
75.04379	1.2
79.04959	1.3
79.05409	31.7
81.06978	100.0
82.07292	0.8
83.04879	3.1
83.08539	47.3
85.02825	1.1
85.06463	3.4
85.10082	4.4
86.09655	0.6
91.05406	15.0
93.06974	38.3
95.04884	1.1
95.08536	96.6
96.08876	1.0
97.06461	11.3
97.10104	27.1
98.98396	82.9
99.08008	4.3
104.10703	1.1
105.06983	10.8
107.07862	1.2
107.08541	22.8
109.10109	46.4
111.08044	7.3
111.11669	7.7
113.09566	1.3
116.99441	4.5
119.08541	10.7
121.10096	33.5
123.08009	0.7
123.11651	19.0
125.09567	3.2
125.13180	1.0
133.10107	13.7
135.11664	22.9
137.09566	1.2
137.13266	8.1
139.11137	1.6
141.12775	1.0
147.11664	8.4
149.13226	13.0
151.11221	0.8
151.14784	4.5
153.12697	2.7
155.01019	74.3
156.01448	0.8
161.13251	10.1
163.14771	10.4
165.12723	0.8
165.16364	4.9
167.14232	1.3
173.02065	3.3
175.14810	8.2
177.16330	1.2
179.17928	4.5
181.15829	0.9
189.16364	1.6
203.17961	1.0
217.19620	0.8
230.54123	0.7
245.22604	35.1
245.25139	1.2
246.23036	1.6
247.24164	7.5
249.98238	0.7
263.23645	49.1
264.23959	2.8
265.25177	30.7
266.25485	1.4
280.64661	0.8
281.24628	1.0
337.23514	1.3
337.27353	27.4
337.31427	1.2
338.27637	1.1
339.28894	77.8
340.29193	4.0
346.87015	0.8
355.28201	4.1
419.25473	32.6
420.25885	1.3
499.32620	6.1
545.81372	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.582
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05428	0.5
69.06978	0.3
70.06490	0.1
71.07284	3.0
79.05437	0.1
81.06973	0.5
83.08537	0.1
84.29990	0.1
86.09621	37.0
87.09966	0.4
91.05429	0.1
93.06955	0.1
95.08509	0.4
98.98387	2.9
102.63098	0.1
104.10674	3.1
107.08545	0.1
109.10068	0.1
116.99464	0.1
123.11658	0.1
124.99955	27.5
126.00278	0.1
143.01045	0.6
180.13931	0.1
181.64000	0.1
184.07294	100.0
185.07651	1.0
199.61946	0.1
258.10989	0.1
286.07495	0.1
327.73245	0.1
337.26920	0.1
419.67319	0.1
502.32858	1.2
520.33838	15.0
521.34198	0.9
565.32965	0.1
897.60895	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.5823
Annotation	Unknow
Peak:m/z	Relative Intensity
66.17812	0.1
67.05426	3.2
69.06985	1.1
70.06511	0.3
71.07289	7.0
72.08051	0.1
74.49585	0.1
79.05412	1.0
81.06973	2.8
83.08543	0.8
85.52081	0.1
86.09625	62.3
87.09950	0.8
89.06387	0.1
91.05408	0.6
92.68130	0.1
93.06960	0.8
95.08535	2.3
96.83398	0.1
97.10105	0.2
98.98387	4.5
104.10678	87.0
105.11025	0.6
107.08551	0.3
109.10115	0.8
115.41431	0.1
116.99502	0.2
119.08536	0.2
124.99960	36.5
133.10146	0.3
135.11623	0.1
143.01054	1.2
163.01524	1.1
181.02559	0.3
184.07303	100.0
185.07645	0.9
225.76703	0.2
258.11063	0.7
337.27234	1.0
443.25595	0.2
502.32840	6.2
503.32864	0.2
520.33881	63.9
521.34070	2.4
544.51019	0.1
636.37640	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6142
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05423	100.0
69.03344	6.6
69.07000	20.5
73.02830	6.5
79.05408	64.3
79.08543	2.3
81.06973	99.5
83.08536	13.1
85.02822	30.5
91.03883	19.4
91.05403	43.9
93.06963	75.8
95.04903	10.7
95.08528	61.6
97.02825	22.2
97.06425	3.3
102.27287	3.0
105.06963	34.4
107.08535	44.2
109.06472	2.7
109.10090	28.8
117.06989	16.1
119.08534	22.9
121.10092	36.5
123.11643	4.2
127.03851	4.3
131.08545	22.5
133.10092	17.1
135.11647	21.0
145.04961	5.9
145.10115	15.0
147.11681	15.6
149.13216	10.6
159.11664	12.0
161.13246	5.8
163.14856	4.5
173.13226	4.6
219.17473	6.4
243.21059	3.0
249.14873	2.9
259.20450	5.8
261.22025	22.1
333.24200	5.4
335.25726	97.6
337.27383	11.6
375.79529	2.9
385.73898	3.4
595.46759	15.8
613.48163	31.0
920.46008	3.2
954.56818	16.9
955.59058	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.6295
Annotation	Unknow
Peak:m/z	Relative Intensity
66.78297	0.9
67.05424	94.2
68.05750	1.1
69.03332	5.6
69.06984	33.3
71.04905	2.1
71.08548	1.2
73.02823	9.7
79.05407	55.8
81.03336	1.4
81.06973	100.0
82.07305	1.6
83.04872	1.4
83.08535	18.7
85.02821	29.6
85.06443	3.5
91.03882	19.9
91.05399	33.2
92.10191	2.3
93.06970	61.9
94.07297	0.9
95.04883	7.9
95.08530	83.0
96.08868	1.3
97.02821	18.3
97.06464	3.7
97.10090	8.7
99.04358	1.3
99.07949	1.1
101.74866	0.9
105.06966	28.9
107.08532	29.7
109.06442	3.2
109.09393	1.6
109.10107	36.3
111.08020	1.8
111.11658	1.2
113.09561	1.0
117.06960	8.8
119.08538	20.5
121.10101	25.5
123.08000	1.1
123.11639	11.3
126.53788	0.9
127.03878	6.0
131.08513	12.9
133.10088	17.9
135.11650	16.5
137.13197	4.7
143.08553	1.0
145.04938	8.3
145.10106	11.0
147.11656	14.1
149.13243	10.7
151.14825	1.8
155.08521	1.0
157.10083	1.4
159.11642	8.0
161.13217	8.1
163.05977	7.0
163.14746	6.7
171.11566	1.4
173.13173	6.4
175.14767	5.8
177.16324	1.6
180.14639	0.8
185.13171	1.7
187.14830	4.0
189.16275	1.3
201.16368	1.6
226.73225	0.9
241.19568	1.0
243.21069	6.9
245.22467	1.7
259.20474	5.0
261.22067	19.8
261.55212	0.9
263.23544	4.4
265.00763	0.9
284.29886	1.0
291.22830	1.0
295.48740	0.8
299.23706	0.8
317.24652	2.0
333.24228	3.4
335.25732	61.0
336.25992	3.8
337.27277	60.5
338.27499	3.7
339.28638	4.6
343.30060	1.1
506.99475	1.0
523.44586	1.1
541.46405	1.4
543.98114	0.9
597.48688	29.5
598.48755	5.6
615.49695	51.2
616.50024	7.3
732.46820	0.9
753.06213	1.0
870.45374	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.6136
Annotation	Unknow
Peak:m/z	Relative Intensity
66.64172	0.9
67.05409	2.1
69.06982	1.6
71.07265	7.1
84.51113	1.1
86.09626	62.9
92.10292	1.3
98.98383	5.2
104.10676	89.3
124.99972	36.3
128.97134	1.1
143.00974	1.5
184.07298	100.0
201.87408	1.1
285.76657	1.2
504.34164	8.1
522.35449	61.5
523.35608	2.1
762.87964	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.6128
Annotation	Unknow
Peak:m/z	Relative Intensity
67.82243	0.2
69.06982	0.4
70.06533	0.1
70.43433	0.1
71.07281	3.3
71.71746	0.1
81.06970	0.3
83.08543	0.1
85.28635	0.1
86.09622	36.0
87.09950	0.2
95.08515	0.2
98.98382	2.7
103.01225	0.1
104.10677	3.5
124.99957	26.3
140.37444	0.1
143.01038	0.9
176.52119	0.2
183.60973	0.2
184.07295	100.0
185.07666	1.4
236.30089	0.1
278.79092	0.2
304.05502	0.2
453.89114	0.2
504.34564	1.7
522.35455	16.4
523.35608	1.1
535.20251	0.2
641.90723	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.568
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05415	2.6
67.70219	1.6
69.03353	2.8
73.02842	2.3
81.07009	3.5
85.02858	7.8
91.03860	2.6
95.08532	2.1
97.02821	4.6
127.03894	2.4
139.32086	2.3
168.26205	2.1
207.19847	2.1
213.60768	1.9
216.55783	2.1
237.33470	1.9
243.08157	1.7
244.45103	2.0
306.41724	2.0
337.69940	2.0
347.09708	3.0
405.13696	7.6
519.29279	9.2
681.34479	10.7
959.56598	100.0
960.57257	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	961.5848
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05428	2.7
69.03350	3.1
69.07001	1.1
71.01268	0.4
71.04909	0.3
73.02825	3.7
74.07057	0.2
75.49015	0.2
79.05416	2.2
81.03341	1.9
81.06979	3.4
85.02824	6.7
87.04401	0.5
91.03879	4.1
91.05420	1.1
93.06992	2.3
95.04932	0.3
95.08542	2.8
97.02830	6.3
99.04423	0.9
101.02322	1.9
103.03893	0.3
103.48492	0.2
105.06995	0.3
107.08566	1.2
109.02877	1.1
109.10142	0.9
115.03872	0.4
118.47883	0.2
119.08588	0.2
121.10141	0.9
123.11702	0.2
127.03909	1.8
133.10222	0.2
135.11652	0.2
145.04956	0.3
183.06726	0.3
185.04291	1.1
203.05325	1.2
238.19261	0.2
243.08324	1.6
245.06738	0.2
261.21991	0.2
272.99945	0.2
329.08459	0.2
347.09436	4.7
363.09070	1.0
365.10333	1.6
405.13562	8.1
482.46829	0.2
519.29254	4.1
521.30725	3.6
602.06714	0.3
681.34485	7.2
682.35193	0.4
683.35938	6.4
684.35944	0.3
799.53473	1.0
800.53485	0.3
961.58374	100.0
962.58429	11.1
963.05200	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.5724
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05427	34.2
69.06988	16.1
70.06500	1.3
71.08507	1.1
76.57425	1.2
79.05414	8.4
81.06509	1.6
81.06975	40.4
83.04887	1.4
83.08528	5.8
84.08045	2.0
91.05377	5.5
93.06965	9.0
95.08530	26.2
97.10084	1.4
98.05985	1.9
98.98382	15.1
99.33408	1.1
105.06972	4.6
107.08509	6.2
109.10148	8.7
119.08532	2.6
121.10078	2.7
123.11649	4.8
133.10081	4.8
137.13213	1.1
145.57512	1.2
155.01001	5.6
161.13226	2.6
165.70349	1.0
172.19157	1.1
173.02036	1.4
198.97450	2.2
201.40082	1.2
216.06209	1.6
221.21249	1.2
228.38573	1.1
263.23587	4.8
300.31393	1.2
306.27823	13.2
337.27292	100.0
338.27765	4.3
395.68909	1.2
417.23679	1.9
460.28195	34.8
478.29227	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	972.5869
Annotation	Unknow
Peak:m/z	Relative Intensity
68.49784	1.1
69.06969	3.1
71.08540	10.0
71.27822	1.3
72.04426	24.1
72.05263	1.2
73.09841	1.2
74.70957	1.3
75.12862	1.3
79.05379	1.7
79.47377	1.3
81.06960	7.0
93.06949	4.9
95.04856	1.6
95.08509	8.2
97.06446	1.7
99.08017	5.7
105.06929	3.1
107.08530	1.7
109.06463	3.4
109.10076	3.3
114.09120	3.0
128.10757	2.0
135.11760	1.6
142.12189	1.6
151.11163	1.5
165.12740	8.8
182.15375	2.1
212.16411	1.6
238.21582	14.2
247.14081	1.6
264.51257	1.4
291.23038	10.9
336.28885	100.0
337.29102	3.1
898.71948	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.6399
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06993	0.3
70.06503	0.3
71.07291	5.6
71.08544	1.6
73.36678	0.2
81.06974	0.9
83.08543	0.4
84.91039	0.2
85.10094	0.8
85.20965	0.2
86.09626	53.2
87.09963	0.7
88.47813	0.2
92.10287	0.2
95.08527	1.1
98.98401	2.5
104.10680	87.9
105.10392	0.2
105.11031	1.0
109.10101	0.3
109.45847	0.2
124.99964	31.1
143.01030	0.9
155.25424	0.1
155.94998	0.1
163.01535	0.9
181.02577	0.2
184.07306	100.0
185.07683	0.9
231.52539	0.2
257.15637	0.2
258.10974	0.9
276.31778	0.2
313.27347	3.1
419.25421	0.6
459.24094	0.2
460.14795	0.2
478.32846	6.3
479.33777	0.2
496.33893	63.2
497.34174	2.9
603.09827	0.2
661.53467	0.2
698.94672	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	976.5337
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06981	2.9
70.06509	98.6
71.06821	1.0
72.08064	4.9
72.81677	1.0
77.94723	1.0
78.54355	1.1
82.40855	1.0
84.04402	6.0
84.08057	8.1
86.09626	100.0
87.09948	1.1
91.05359	1.3
110.07101	4.4
112.03916	4.8
120.08048	29.0
129.10196	5.1
132.08063	2.1
136.07568	1.3
137.06006	2.2
139.08627	5.7
157.09711	10.4
167.08150	16.4
168.03856	1.3
175.07355	1.2
181.04868	1.5
185.09206	8.8
207.11296	2.2
208.45352	1.1
225.12305	8.1
236.10278	6.1
243.13310	2.7
254.11327	14.4
272.12357	5.3
295.37350	1.3
304.12973	1.9
328.22064	1.5
356.21713	9.8
361.94089	1.3
373.18787	1.7
391.19452	1.5
401.18036	9.9
419.19113	4.7
504.28268	2.0
532.27795	14.7
579.26563	1.4
603.31567	1.3
621.32355	19.7
756.38647	1.8
831.08270	1.4
933.83954	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.5585
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06989	2.2
81.06993	2.0
89.42571	1.5
141.81648	1.4
145.10152	1.4
212.74637	1.6
298.65375	1.9
618.51788	2.7
977.55676	100.0
978.56647	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	979.5954
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03345	2.2
69.06964	1.7
70.76458	1.9
81.06966	2.8
85.02838	1.9
91.03891	2.6
92.10333	1.9
95.08540	2.1
97.02836	3.3
161.63770	1.7
192.18315	1.5
192.54747	2.0
273.31894	1.8
317.20990	2.4
347.09619	1.8
405.13623	7.6
523.32300	8.2
535.28815	3.0
685.37677	9.5
697.34912	2.2
714.39917	1.9
979.59387	100.0
980.59369	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	980.595
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05485	0.8
69.06973	3.5
71.07281	3.9
72.33701	0.9
81.06966	1.6
83.08543	1.2
86.09628	24.4
87.04000	0.8
95.08530	1.9
99.55567	1.0
104.10677	100.0
107.08567	1.0
114.36524	1.1
124.99905	1.0
146.98177	19.4
149.65257	1.0
229.45700	0.9
250.83617	0.9
280.96661	1.9
320.88626	1.0
339.28943	11.0
382.16534	1.3
441.23178	1.2
485.26346	34.4
486.26819	3.4
544.33618	64.1
545.33881	4.8
568.81488	1.1
589.12189	1.0
750.46521	1.0
832.29742	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.6107
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03352	1.5
73.02823	1.6
79.05397	1.7
85.02838	5.4
85.38027	1.2
92.10345	1.5
95.08578	1.6
97.02831	5.7
99.89037	1.0
101.35221	1.1
104.57396	0.9
105.15670	1.3
107.08589	1.0
144.17972	1.2
247.00388	1.3
333.82907	1.1
347.09641	4.8
363.09204	1.4
405.13547	8.9
501.75275	1.2
523.32587	4.8
537.30371	4.4
685.37299	10.7
699.35889	4.1
819.55566	1.3
873.69934	1.2
892.01038	1.3
981.60925	100.0
982.61389	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	993.5602
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06982	3.7
70.06513	79.4
71.06827	0.9
72.08060	1.1
84.04395	1.4
84.08052	3.8
84.08546	0.8
86.09631	100.0
102.05495	1.0
103.05391	1.1
112.03941	0.9
120.08062	22.4
131.81827	1.0
138.12700	1.1
139.08612	4.0
157.05995	1.0
157.09657	8.7
167.08119	18.1
185.09247	7.7
207.11226	3.3
209.19403	0.9
225.12317	8.8
226.11792	1.0
235.10762	1.2
236.10271	7.7
243.13405	3.7
254.11313	17.6
272.12372	6.5
304.12830	1.7
328.22073	1.9
356.21683	9.6
373.18597	1.3
391.19659	1.9
401.18335	9.6
419.19135	1.9
453.26697	0.9
500.32535	0.9
504.27957	1.8
514.26239	1.0
532.27563	12.7
540.29510	1.0
609.32349	1.4
621.32312	27.1
622.32556	1.3
756.39624	9.1
757.38483	1.5
774.39917	3.3
887.47913	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	996.6379
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06992	16.4
71.08548	4.1
79.05406	2.3
81.06988	11.5
83.08537	12.2
86.09623	2.1
92.10294	2.0
93.06970	4.2
95.08540	11.6
97.10120	7.8
98.98403	8.7
104.10680	27.2
107.08549	4.6
109.10122	1.5
111.08051	1.2
111.11692	1.7
121.10104	6.1
123.11719	1.3
135.11693	5.6
143.86183	1.0
149.13213	1.3
155.01041	5.5
172.95256	1.6
185.67784	1.0
190.96324	3.3
265.25156	2.1
308.29443	15.4
326.65274	1.0
339.28891	100.0
340.29056	2.0
341.45416	1.1
387.58118	1.2
419.25275	6.4
462.29608	26.7
475.21210	1.5
480.30847	47.4
560.30774	1.5
591.39069	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.6054
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03360	3.1
69.06995	1.4
73.02850	3.3
79.05425	1.1
81.03302	0.8
81.06987	3.1
85.02843	3.9
91.03891	1.7
93.07003	1.0
95.08524	1.4
97.02847	4.7
99.21657	0.7
101.02316	0.9
127.03902	0.9
135.11639	1.0
200.04298	0.7
216.54514	0.8
223.05386	0.9
243.08499	1.1
347.09573	2.7
363.09302	1.0
405.13641	8.2
523.32306	6.7
553.29810	4.6
685.37689	10.7
715.34399	5.5
996.58411	1.6
997.60321	100.0
998.60986	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	998.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06972	1.1
70.06512	21.1
71.24339	1.1
72.08089	5.2
83.06082	1.1
84.04435	1.6
84.08085	7.5
86.09618	14.7
103.05435	1.4
110.07152	4.6
120.08098	6.6
129.10233	1.6
136.06761	1.2
136.07593	9.3
166.04768	1.4
185.09357	1.3
195.07671	1.4
207.11168	2.6
217.24495	1.1
219.11046	1.3
237.12209	6.0
298.17709	1.8
332.19696	2.1
350.20618	5.6
372.18881	2.2
459.22122	2.2
474.27225	1.5
475.84256	1.3
516.28265	2.6
534.28937	2.1
561.30048	1.7
573.30566	1.7
591.31403	2.1
603.31537	2.7
621.32343	6.3
998.51459	100.0
999.51813	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	1002.6067
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95900	5.5
80.06015	0.1
93.44301	0.1
96.96963	0.6
123.21220	0.1
152.99591	12.4
171.00600	1.0
227.03288	1.6
237.22321	0.2
245.04349	1.2
255.23315	100.0
256.23700	2.1
262.86966	0.2
483.27332	53.2
484.27377	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	1035.6836
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02923	0.6
78.95869	0.1
79.66712	0.1
83.01377	0.2
85.02941	0.7
87.00873	0.2
89.02435	2.5
91.83405	0.1
101.02440	2.8
113.02411	1.0
114.35598	0.1
119.03484	0.7
125.54453	0.1
128.37860	0.1
133.05070	0.2
152.99579	0.3
161.04510	1.2
179.05592	0.2
185.55930	0.1
235.08252	1.2
253.09288	9.4
254.09488	0.2
280.31754	0.1
281.24860	100.0
282.25235	3.1
517.33801	1.0
677.28180	0.1
894.69165	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.6796
Annotation	Unknow
Peak:m/z	Relative Intensity
73.46037	0.1
78.95898	12.3
80.49637	0.1
96.96902	0.1
116.92856	0.8
117.92886	0.1
122.98582	0.1
126.30584	0.1
134.26193	0.1
143.01622	0.1
152.99597	2.8
168.04300	2.5
174.05586	0.1
194.12898	0.1
215.92505	0.1
224.06944	8.0
237.22208	0.2
242.07957	1.6
255.23312	100.0
256.23679	1.8
268.59595	0.1
480.30972	62.2
481.31229	1.3
495.27554	0.3
511.96201	0.1
526.40942	0.1
554.34705	3.9
881.96857	0.1
896.15570	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	1071.6593
Annotation	Unknow
Peak:m/z	Relative Intensity
83.07072	2.9
92.11754	3.1
102.50381	2.8
109.86686	3.0
148.64542	3.1
255.23346	13.3
256.23642	5.1
281.24847	21.7
282.25067	3.9
553.31610	100.0
1072.28528	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	1087.618
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95898	60.6
91.13958	0.2
96.96943	5.7
109.88866	0.2
116.92839	0.2
135.12941	0.2
149.62111	0.2
150.98032	2.2
152.99583	100.0
153.99985	0.8
171.00618	2.1
255.23424	0.2
279.23267	1.8
433.23615	48.3
434.24011	1.2
460.94357	0.2
581.29840	0.2
847.20227	0.2
934.92346	0.2
992.80365	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.6346
Annotation	Unknow
Peak:m/z	Relative Intensity
77.69116	0.1
78.95896	60.5
84.00236	0.1
93.88805	0.1
96.96941	5.3
149.00136	0.1
150.98030	2.2
152.99579	100.0
153.99896	0.3
171.00633	2.3
234.02066	0.1
241.56802	0.1
255.23265	3.0
285.12509	0.2
341.47479	0.1
409.23608	43.7
410.23935	1.2
447.13150	0.3
653.30273	3.1
654.31097	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	1096.6916
Annotation	Unknow
Peak:m/z	Relative Intensity
75.73131	0.1
78.95897	4.6
96.96906	0.1
101.02437	0.1
116.92813	0.1
145.02922	0.4
152.99583	2.1
168.04294	1.5
224.07005	1.0
242.07976	2.0
253.09322	0.4
279.23300	3.9
281.24857	100.0
282.25195	3.3
290.07059	0.1
301.41849	0.1
376.66727	0.1
382.30194	0.1
435.25018	0.6
478.29352	0.6
480.51031	0.1
506.32516	47.7
507.32874	2.3
520.55365	0.1
521.28674	0.2
545.03503	0.1
580.36273	2.9
617.37866	0.1
637.75604	0.1
739.44434	0.1
953.33282	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	1096.6915
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95898	13.4
83.72669	0.1
88.46222	0.1
89.02465	0.2
104.65878	0.1
105.35690	0.1
116.92844	0.4
152.99573	3.6
153.00763	0.2
168.04294	2.9
170.82643	0.1
184.57098	0.1
208.08809	0.1
224.06941	8.6
242.07990	1.9
253.09375	0.6
279.23297	6.5
279.26361	0.2
280.23508	0.1
281.24863	100.0
282.25195	2.1
435.25137	0.9
506.32538	67.0
507.32834	1.9
515.31787	0.4
521.28729	0.4
580.36267	3.7
634.30890	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	1097.6799
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95905	15.5
84.60002	0.2
97.41711	0.2
104.30898	0.2
104.78149	0.3
121.01265	0.2
121.02917	0.2
144.91882	0.2
152.99574	3.0
161.40761	0.3
168.04309	3.7
224.06970	9.4
242.08006	1.4
245.31827	0.2
261.22293	0.4
264.80096	0.2
279.23322	100.0
280.23630	2.6
316.16522	0.2
502.85797	0.2
504.31046	66.7
505.31287	2.1
519.27515	0.3
578.34772	2.9
624.70886	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.6786
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95898	4.5
92.12443	0.2
100.08783	0.1
152.99559	1.6
154.93945	0.1
168.04262	1.9
189.08627	0.1
199.89471	0.2
224.06918	1.1
242.08046	2.6
261.22330	0.2
279.23297	100.0
280.23618	2.5
284.85910	0.2
446.03433	0.2
504.31018	50.1
505.30997	1.1
519.27216	0.3
578.34747	2.8
794.78387	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1101.7094
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95896	4.0
93.05737	0.1
126.40704	0.1
142.27802	0.1
152.99561	1.4
168.04291	1.4
224.06854	1.0
242.08006	2.5
281.24869	100.0
282.25238	2.8
506.32532	49.3
507.32797	1.5
521.28656	0.5
534.74146	0.1
580.36218	3.2
995.94171	0.1
1035.68298	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1101.7099
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95895	13.6
78.98270	0.2
80.52254	0.2
92.80715	0.2
97.24327	0.2
101.30882	0.2
102.65933	0.2
135.02345	0.2
148.43253	0.2
152.99582	3.6
168.04301	3.1
171.00504	0.2
224.04767	0.3
224.06943	9.4
241.73683	0.2
242.07957	1.9
281.24854	100.0
282.25180	2.7
308.77405	0.2
410.19504	0.2
506.32529	66.6
507.32837	2.0
577.44452	0.2
580.36298	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	1107.5873
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	45.7
89.26460	0.1
96.96956	6.2
97.51498	0.1
116.92830	0.7
119.33353	0.1
150.98038	2.2
152.99594	100.0
153.99951	0.2
154.23544	0.1
162.83669	0.1
171.00656	3.9
198.83559	0.1
277.21725	0.9
277.42676	0.1
431.22095	32.1
432.22400	0.5
569.41425	0.1
628.68921	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	111.0088
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.01886	2.8
60.66087	1.4
61.42628	1.2
67.01900	46.5
67.38895	1.5
76.94866	1.2
78.05413	1.6
78.95910	19.2
83.01398	7.6
108.29008	1.5
111.00886	100.0
112.01229	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	1111.6192
Annotation	Unknow
Peak:m/z	Relative Intensity
78.88247	0.0
78.95900	49.7
79.03330	0.0
92.11702	0.1
96.96952	6.5
105.04160	0.0
150.98022	2.4
152.79057	0.1
152.80151	0.0
152.99586	100.0
153.19713	0.1
153.99907	0.6
171.00639	3.7
241.01189	0.1
272.51273	0.0
279.23300	1.2
281.24875	0.2
400.87198	0.0
406.27914	0.0
433.23648	30.8
434.23990	1.5
597.30518	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1115.6506
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95900	47.6
96.96955	6.4
120.47668	0.1
150.98026	2.1
152.99586	100.0
153.99925	0.5
171.00641	3.8
181.84564	0.1
268.11664	0.0
281.24854	1.5
358.44595	0.1
435.25214	34.2
436.25574	1.0
1009.75824	0.1
1142.79993	0.1
1144.20935	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	1132.6762
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95896	13.8
107.75560	0.3
116.70676	0.3
122.00096	0.3
140.01170	4.2
145.53763	0.3
151.57382	0.3
152.99602	1.9
167.94594	0.3
196.03807	9.5
214.04933	1.9
255.23309	100.0
256.23618	3.3
299.57394	0.4
371.84647	0.4
373.31216	0.3
452.27863	62.3
453.28082	2.2
472.42865	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1137.6546
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95895	11.6
79.27406	0.1
80.02374	0.1
96.96944	1.0
139.01060	0.1
150.98032	0.2
152.99577	28.2
171.00612	1.4
181.14693	0.1
183.69844	0.1
227.03276	3.5
237.22292	0.2
245.04327	0.8
255.23300	100.0
256.23590	1.3
391.22809	0.2
483.27316	65.3
484.27853	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0401
Annotation	5-Oxopentanoate
Peak:m/z	Relative Intensity
52.24746	3.4
59.01390	8.9
71.01392	15.6
71.05026	6.8
76.57419	3.4
87.04528	9.0
92.11800	5.3
95.09986	3.4
114.93407	7.2
115.04002	100.0
116.07218	27.3
116.58809	3.7
123.33057	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	116.0506
Annotation	4-Ethynylaniline
Peak:m/z	Relative Intensity
53.20488	0.1
53.55445	0.2
54.82803	0.2
59.01389	1.9
68.92422	0.2
71.01379	0.5
71.05009	0.4
72.75787	0.2
73.02943	12.8
73.59705	0.2
74.02485	0.2
89.01449	0.9
98.13180	0.2
99.00857	1.4
99.92576	28.6
116.02563	4.6
116.05057	51.9
116.07166	17.3
116.92850	100.0
117.01936	3.0
117.05420	2.2
128.53300	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1163.6716
Annotation	Unknow
Peak:m/z	Relative Intensity
86.18882	0.1
96.96967	1.0
97.54507	0.1
123.50330	0.1
132.42213	0.1
134.98537	0.3
150.98041	0.3
152.99582	28.2
171.00620	1.4
216.73070	0.1
227.03249	3.1
237.22163	0.2
245.04323	0.9
255.23306	100.0
256.23639	2.3
281.24841	2.3
365.93466	0.1
391.22382	0.4
409.23547	0.1
483.27322	70.8
484.27625	2.1
509.28964	1.6
678.01941	0.1
1202.67236	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	117.0193
Annotation	Succinic acid
Peak:m/z	Relative Intensity
54.82877	0.2
55.01883	1.0
61.38879	0.2
71.48309	0.2
73.02950	100.0
74.03294	1.5
92.11658	0.5
94.20638	0.2
99.00877	10.2
99.92567	0.3
109.46190	0.2
116.92873	1.5
117.01934	23.8
118.02316	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0193
Annotation	Succinic acid
Peak:m/z	Relative Intensity
54.18129	0.2
55.01891	0.4
59.01383	0.3
65.77783	0.2
73.02947	100.0
74.03300	1.6
92.12371	0.4
99.00872	9.6
99.92586	1.3
103.78217	0.2
107.83469	0.2
116.92848	5.0
117.01926	20.8
118.02276	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1189.6871
Annotation	Unknow
Peak:m/z	Relative Intensity
88.67387	0.2
89.96164	0.2
100.18873	0.2
130.09856	0.2
152.01672	0.2
152.99590	16.5
171.00641	1.2
196.89487	4.9
201.95462	0.3
202.69075	0.2
227.03250	1.8
245.04309	1.3
246.66809	0.2
281.24866	100.0
282.25183	2.5
498.36652	0.3
509.28857	60.1
510.29355	1.3
570.61389	0.3
692.97760	0.3
724.69598	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.035
Annotation	3,4-Dihydroxybutanoic acid
Peak:m/z	Relative Intensity
51.06292	0.3
54.82318	0.4
55.01889	11.1
58.00600	1.9
59.01387	67.7
60.01707	0.5
66.59351	0.3
71.01381	100.0
71.48013	0.3
72.01713	1.5
72.99302	2.2
73.02969	2.7
75.00896	0.5
75.03371	0.8
83.01391	5.5
87.00864	0.6
88.08999	0.3
89.02448	7.8
93.67982	0.4
101.02428	4.2
103.38939	0.3
104.77869	0.4
118.93389	0.4
119.02407	0.8
119.03522	3.6
119.05023	0.7
121.21275	0.4
138.19554	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0294
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
58.72910	1.0
59.01374	1.2
61.98817	1.4
73.36248	1.0
80.07430	1.0
85.65314	1.0
91.82869	1.1
92.11712	2.2
92.19933	1.3
94.02965	2.0
121.02943	100.0
122.02468	4.5
122.03278	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	123.0451
Annotation	p-Hydroxybenzyl alcohol
Peak:m/z	Relative Intensity
53.00292	0.2
54.93704	0.2
55.25138	0.2
65.03978	0.3
80.05041	0.3
93.03446	59.3
94.02987	1.4
94.03783	2.4
95.01391	0.6
95.05001	0.4
96.04528	1.0
105.03490	0.4
121.02940	100.0
122.03243	4.1
123.00880	0.5
123.04506	27.7
124.04028	3.1
124.04852	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	127.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
57.03464	0.5
57.11691	0.5
59.01373	3.3
67.24429	0.5
71.05010	6.9
74.58678	0.7
81.03446	1.4
82.02962	2.9
83.01353	0.8
83.04990	1.3
85.02927	3.0
92.12376	1.0
97.02905	0.6
99.04504	1.1
104.00323	0.6
109.02934	1.2
109.06554	0.8
126.90415	3.6
127.00362	2.4
127.04002	13.9
127.07633	11.6
128.03523	100.0
128.07213	1.7
128.07973	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
57.03456	0.9
59.01382	4.4
63.04709	0.6
63.51342	0.6
71.05022	9.3
71.46690	0.7
76.42838	0.8
82.02985	1.9
82.99650	0.8
83.01389	0.9
83.05013	1.8
85.02956	3.4
87.72348	0.7
87.98224	0.7
89.06943	0.7
97.02997	0.8
109.02981	1.9
109.04103	0.9
126.90453	6.2
127.00378	1.1
127.04002	15.4
127.04951	1.3
127.07639	10.6
128.03531	100.0
128.07193	2.8
130.25697	0.8
131.98959	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.0353
Annotation	Pyroglutamic acid
Peak:m/z	Relative Intensity
82.02975	3.0
84.04544	0.8
85.02953	17.3
87.10327	0.5
95.84463	0.6
101.02426	1.0
104.83108	0.6
116.07637	0.5
128.03529	100.0
129.01996	1.0
129.03873	3.6
140.62378	0.6
146.91725	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0557
Annotation	2-Hydroxyethyl methacrylate
Peak:m/z	Relative Intensity
57.03443	7.0
61.16782	5.2
67.61541	4.7
73.02991	5.8
85.02950	66.6
85.87937	6.3
86.06126	5.1
88.04060	5.9
88.17236	4.7
92.11785	7.4
101.02445	11.3
129.01932	24.7
129.03876	20.1
129.05562	83.5
130.08727	100.0
135.26494	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	129.0557
Annotation	2-Ketohexanoic acid
Peak:m/z	Relative Intensity
51.66492	4.6
53.92320	3.8
56.65120	4.5
58.11764	4.2
65.61817	4.4
72.09763	4.8
85.02939	6.9
85.06561	6.4
85.25031	4.7
104.87070	4.3
109.75399	4.6
114.38650	4.9
129.05577	100.0
130.08720	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	129.0558
Annotation	2-Ketohexanoic acid
Peak:m/z	Relative Intensity
51.20332	6.2
51.80874	5.5
53.63251	5.0
62.91657	6.8
74.43112	6.4
76.57253	6.6
85.00305	7.4
86.70910	6.1
93.29088	6.4
117.93314	6.8
129.05582	100.0
130.08784	8.5
140.29404	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	130.0873
Annotation	L-Leucine
Peak:m/z	Relative Intensity
54.04242	0.5
63.07084	0.4
63.33055	0.4
64.88532	0.4
64.95180	0.5
72.59383	0.5
73.02946	1.2
78.84643	0.5
80.66437	0.5
87.04516	5.9
88.04025	2.2
113.02460	0.8
130.08728	100.0
131.03510	2.2
131.09053	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	131.0713
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
57.03445	2.7
59.01377	3.3
60.48825	0.5
69.03453	1.0
71.01382	4.6
71.01707	0.6
73.02942	10.1
73.15224	0.6
75.00871	0.9
75.89233	0.5
83.05027	0.8
85.02953	7.0
85.06586	100.0
86.06926	2.8
87.04510	6.1
88.04015	2.9
101.02447	1.2
113.02400	1.1
113.06032	0.9
131.03516	3.8
131.07129	67.4
132.03024	1.1
132.07452	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	133.0142
Annotation	Malic acid
Peak:m/z	Relative Intensity
57.30980	0.4
59.01378	0.9
70.96382	0.4
71.01383	61.4
72.99306	13.4
76.56980	0.5
87.00876	0.9
89.02438	6.9
115.00368	100.0
116.00706	2.6
133.01430	28.7
134.04710	1.9
134.24699	0.5
143.42010	0.5
144.87228	0.5
153.81871	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0142
Annotation	Malic acid
Peak:m/z	Relative Intensity
55.72698	0.6
57.97220	0.5
59.01400	0.9
64.34087	0.7
71.01392	59.6
72.99314	13.4
73.95918	0.6
89.02448	7.3
110.95471	0.7
112.68300	0.7
115.00371	100.0
133.01431	31.7
133.02458	0.9
142.55815	0.8
151.96126	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0141
Annotation	Malic acid
Peak:m/z	Relative Intensity
55.63981	0.5
56.13535	0.7
59.01389	0.7
63.64017	0.6
66.98574	0.6
71.01389	62.4
72.99306	14.9
86.76537	0.6
87.00863	1.6
89.02435	8.6
91.73454	0.7
103.26838	0.7
115.00368	100.0
133.01422	32.1
145.56711	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0141
Annotation	Malic acid
Peak:m/z	Relative Intensity
59.01387	1.1
63.91117	0.4
71.01389	63.5
72.01730	1.0
72.99313	12.3
73.02955	0.7
87.00849	0.8
87.04529	1.2
89.02444	7.2
89.81793	0.4
92.12341	0.6
95.51372	0.5
115.00368	100.0
116.00725	2.0
133.01427	31.0
133.05070	1.2
136.99361	0.5
137.00468	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0165
Annotation	3-Hydroxybenzoate
Peak:m/z	Relative Intensity
52.19896	1.2
59.79959	1.2
66.03491	1.6
83.04492	1.1
89.75587	1.2
92.05051	6.8
93.03447	100.0
94.03784	2.5
94.98072	1.9
95.01405	2.6
98.27492	1.4
105.85101	1.5
108.02165	36.8
108.04539	7.5
109.02985	1.8
119.05003	2.5
133.57855	1.2
135.89450	5.5
136.01657	48.8
136.03984	10.8
136.04869	20.8
136.07652	1.5
136.86327	11.4
136.89189	20.0
137.02455	38.3
137.03488	2.7
137.06081	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	137.0244
Annotation	Sodium 4-hydroxy-benzoate
Peak:m/z	Relative Intensity
57.37556	0.2
65.03959	0.5
67.91637	0.2
83.17211	0.2
84.41481	0.2
93.03451	100.0
94.03796	3.6
137.02444	24.6
138.02827	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0244
Annotation	Sodium 4-hydroxy-benzoate
Peak:m/z	Relative Intensity
56.67324	0.2
61.98794	0.1
63.13877	0.1
65.03985	0.2
66.03487	0.2
75.54253	0.2
82.02986	0.2
85.66726	0.2
89.89483	0.1
92.11817	0.2
93.03450	100.0
94.03784	4.4
98.37904	0.2
108.33778	0.2
109.02969	0.3
136.01624	0.2
136.86246	0.3
137.02440	17.3
138.02776	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0197
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
53.72666	0.2
55.01888	0.5
57.95919	0.2
58.20170	0.3
66.03489	4.3
72.26092	0.4
81.05176	0.3
81.10192	0.3
82.02986	0.6
86.30388	0.3
92.12424	0.3
94.02933	0.5
94.03780	1.8
94.06631	0.3
94.98080	0.3
95.05050	0.4
108.02175	48.5
109.02493	1.4
124.01611	0.4
138.01968	100.0
138.05614	1.6
139.00439	0.4
139.02338	2.8
139.03996	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	142.051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
57.03195	0.3
57.03456	6.4
57.93044	0.2
59.01370	1.9
67.19796	0.2
69.03465	2.0
71.01385	6.7
71.05016	3.2
72.55219	0.2
72.92469	0.2
73.02941	1.1
83.01383	1.2
85.02951	7.2
87.00865	0.6
87.04512	7.1
92.12047	1.6
94.77462	0.2
95.01419	0.3
97.02934	1.5
99.04522	2.9
100.04034	0.5
101.02442	0.6
111.00887	0.2
112.02300	0.3
113.02446	5.6
115.04005	100.0
116.04329	3.6
125.02465	1.8
143.03500	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	143.035
Annotation	2-Methyleneglutarate
Peak:m/z	Relative Intensity
54.00353	1.6
54.82531	1.6
55.01889	17.4
57.03459	100.0
57.03744	3.1
59.01389	12.7
60.60287	1.7
64.76612	1.4
69.03462	27.1
71.01390	69.1
72.01721	1.7
72.99302	3.6
73.02943	11.5
77.15417	1.9
81.03474	2.3
81.17036	1.7
83.01389	4.4
85.02462	3.8
85.02959	75.2
86.03281	1.9
87.00889	15.0
87.04523	24.8
97.02953	17.0
99.04514	16.5
101.02437	4.3
113.02448	61.4
114.02789	2.0
115.04000	8.3
125.02433	20.5
125.24728	1.9
134.28186	2.2
143.02510	2.8
143.03526	31.2
143.20605	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	145.0143
Annotation	Methyloxaloacetate
Peak:m/z	Relative Intensity
57.03461	22.7
59.01394	4.3
59.78055	1.0
61.65265	1.2
71.01400	22.6
73.02946	14.3
74.02479	2.7
83.01387	2.0
84.04549	5.2
85.02942	1.5
87.00875	8.2
92.11746	2.2
99.00893	1.6
101.02447	70.9
102.02781	1.5
102.05607	100.0
109.04059	2.3
115.00367	10.3
117.61433	1.1
118.75227	1.1
126.76212	1.2
127.05121	7.2
128.03526	48.3
145.01436	17.2
145.06219	6.4
146.04591	22.1
158.36946	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0142
Annotation	Methyloxaloacetate
Peak:m/z	Relative Intensity
55.01878	3.2
57.03454	29.7
58.03817	0.6
59.01382	4.2
70.44871	0.6
71.01378	16.4
73.02940	17.7
74.02462	2.5
74.93970	0.5
83.01372	4.2
85.02930	1.1
87.00865	6.0
99.00871	0.9
99.88126	0.6
101.02431	100.0
101.06079	4.2
102.02773	3.5
102.05598	43.2
109.04092	1.1
115.00375	6.7
127.00283	0.7
127.05116	2.7
128.03531	18.9
144.52036	0.6
145.01414	13.4
145.05109	0.7
145.06233	2.7
146.04601	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	145.0871
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
51.54639	0.5
54.82806	0.5
57.03444	1.3
59.01377	2.3
69.03448	0.7
71.01361	2.5
71.05022	0.7
73.02938	3.3
81.03460	0.8
82.10915	0.5
83.05025	2.9
85.02946	5.6
87.00867	2.7
97.06605	1.0
99.04472	0.8
99.08154	100.0
100.08503	3.4
101.02456	0.8
101.06073	3.9
102.04993	0.7
102.05610	12.4
102.63679	0.5
109.04112	1.0
118.02974	1.0
127.04046	0.9
127.05151	2.8
127.07632	3.7
128.03548	8.4
143.07126	1.1
145.04088	0.7
145.05040	5.1
145.06233	2.1
145.08707	54.2
146.02481	2.5
146.04565	3.7
146.09055	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	146.046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30902	0.3
52.08253	0.3
56.01065	0.3
59.40851	0.3
63.33726	0.4
74.02455	0.5
84.04543	0.7
85.02941	1.8
85.53963	0.4
101.02464	0.6
102.05603	100.0
103.05944	3.6
123.83871	0.4
128.03534	42.6
128.15230	0.4
129.03859	2.0
129.19719	0.4
135.88908	0.3
146.04602	25.1
147.04999	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	146.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	3.8
59.01381	5.0
71.01380	10.2
72.99304	3.6
73.02957	0.4
74.02455	3.0
83.03331	0.4
84.04536	2.1
85.02943	7.2
87.00868	7.5
98.02513	0.5
101.02431	2.3
102.02790	0.8
102.05601	100.0
103.03998	1.6
103.05923	3.8
103.28666	0.4
128.03528	45.2
129.01935	9.6
129.03848	2.1
146.04591	28.9
147.03015	4.8
147.04929	0.6
147.06589	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0453
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
53.12032	1.3
55.01878	3.4
59.01374	8.8
60.22493	1.5
61.98837	100.0
63.58894	1.6
69.12943	1.6
69.52312	1.7
71.01373	2.6
100.30488	1.6
123.61663	1.6
131.45879	1.8
133.98853	2.1
139.18977	1.7
147.04532	61.0
148.04807	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	147.0452
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
54.17149	0.7
55.01880	4.8
57.03444	1.6
57.81589	0.6
59.01390	9.2
61.98835	100.0
62.27978	0.6
69.88956	0.7
70.02971	1.7
71.01382	7.3
72.99297	1.0
75.00862	4.9
84.99308	1.1
85.02948	1.7
87.00854	1.2
88.98833	0.9
89.02424	0.9
99.00881	1.4
103.41216	0.7
120.06620	0.9
129.01942	1.4
147.02953	1.2
147.03181	1.3
147.04526	23.2
147.06575	1.3
148.04930	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0439
Annotation	L-Methionine
Peak:m/z	Relative Intensity
56.74818	2.0
59.01110	3.6
59.01395	100.0
71.01396	29.5
73.02944	4.1
88.64680	2.8
89.02428	12.0
91.42491	2.5
92.56606	2.9
100.04031	17.1
100.79478	2.8
104.42397	2.6
148.04393	25.7
149.04552	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	149.0455
Annotation	2-Deoxyribonic acid
Peak:m/z	Relative Intensity
54.82798	0.7
55.01887	7.5
55.60276	0.6
57.03445	1.5
58.00599	1.8
59.01387	100.0
60.01722	1.1
69.03448	1.1
71.00989	1.4
71.01381	40.7
71.42802	0.7
72.01745	0.7
72.99310	6.6
73.02950	20.0
75.00875	19.2
83.01378	1.0
85.02959	7.9
85.38471	0.8
87.00874	1.1
89.02441	18.2
92.11709	1.3
92.65593	0.8
101.02451	3.1
107.89227	0.7
131.03487	9.4
149.04549	26.8
149.05653	1.5
161.94225	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0401
Annotation	Vanillin
Peak:m/z	Relative Intensity
59.01395	3.0
66.03494	0.6
69.03457	0.2
70.36179	0.1
71.01389	0.7
89.02447	0.2
92.02686	0.2
92.12376	0.2
95.01363	0.9
101.02427	0.1
108.02174	6.7
117.47536	0.1
118.94698	0.1
123.04502	0.2
136.01659	100.0
137.01999	4.5
141.28706	0.1
151.04013	10.4
151.06033	0.3
152.04362	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0322
Annotation	Diethylphosphoric acid
Peak:m/z	Relative Intensity
60.34003	0.1
66.03484	0.2
78.95901	100.0
82.02962	0.3
93.90739	0.1
96.96942	0.9
98.84029	0.2
109.02950	0.9
109.06635	0.2
109.64767	0.1
111.04527	0.3
112.04093	0.2
125.00087	48.3
125.06015	0.2
126.00433	0.8
135.04515	0.3
138.03239	0.2
153.02034	0.6
153.03221	10.8
153.05545	1.9
154.03607	0.3
154.05046	0.3
154.06256	0.2
165.17500	0.2
169.28163	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	153.0557
Annotation	Hydroxytyrosol
Peak:m/z	Relative Intensity
51.13530	0.9
54.82874	1.2
61.64589	1.1
67.01907	12.3
69.03461	6.0
71.73949	1.1
79.05540	2.4
81.03464	23.3
82.02999	1.4
83.01406	1.1
84.64160	1.1
93.04541	1.6
95.01394	5.2
95.05024	18.2
97.02962	19.8
105.03443	1.3
107.05048	1.7
108.02161	7.5
109.02949	16.0
109.06609	1.5
111.04527	6.0
112.03978	1.1
112.98854	1.1
122.03725	1.5
123.04513	100.0
124.04844	2.2
135.04533	2.3
138.03242	2.4
153.01952	6.8
153.05568	14.4
154.90860	1.2
169.81645	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82923	9.3
51.96747	8.2
56.80625	9.6
59.01378	85.7
66.03479	15.3
74.83826	9.5
79.20878	10.6
80.05050	11.1
80.96539	11.8
81.03452	24.3
82.02973	49.0
84.04523	10.5
85.02931	19.4
109.02966	81.6
109.04050	12.3
109.06593	46.2
109.17499	11.0
110.00089	13.7
111.04449	16.7
112.04069	16.4
124.04024	53.9
124.77187	11.9
125.02428	17.7
125.06094	11.8
135.04556	13.7
137.99570	11.8
138.03264	15.2
153.01939	64.4
153.05591	100.0
153.09200	76.9
153.86868	19.3
154.05106	46.9
161.18689	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	153.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76160	10.9
52.91584	9.8
61.65024	10.3
82.02982	12.8
112.85881	10.4
147.65691	10.6
153.05544	19.0
153.09212	100.0
154.05048	12.5
169.08873	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	153.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56549	3.6
59.01394	100.0
61.90178	4.2
63.51575	3.8
66.03489	12.0
71.01389	4.7
81.03464	8.6
82.02972	11.0
83.05010	5.5
84.04557	4.5
90.57262	5.6
93.03455	4.8
97.06545	5.0
107.05053	4.9
109.02952	36.2
109.04086	5.7
109.06622	17.3
111.04520	5.9
123.04507	7.5
124.01694	8.3
124.04025	9.5
125.02403	6.7
126.01006	6.0
133.75905	4.9
135.04597	6.3
136.04037	6.3
138.03203	22.8
153.01926	18.8
153.03081	4.9
153.05579	61.4
153.09218	53.6
154.05107	5.0
154.30684	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	155.1077
Annotation	60046-50-6
Peak:m/z	Relative Intensity
56.04895	2.0
59.01114	5.1
59.01387	100.0
61.83471	2.0
64.34274	2.1
65.26443	2.3
65.89114	2.5
72.69252	2.2
73.02930	3.1
87.63400	2.3
93.49102	2.6
96.95960	3.4
97.15810	2.2
109.45542	2.7
114.05602	3.1
121.65936	2.7
137.09727	4.7
138.22601	2.5
155.10776	97.7
156.11101	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	156.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82536	0.3
59.01384	4.0
62.58490	0.3
85.02945	0.7
85.06580	1.5
92.12273	0.4
93.11980	0.3
101.06065	1.3
125.79276	0.3
127.16751	0.3
129.05576	100.0
130.05910	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	157.0506
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
55.34111	0.4
59.01106	1.0
59.01392	24.8
60.51088	0.4
69.03042	0.4
71.01380	0.7
75.00864	1.2
85.02982	0.9
85.84573	0.5
86.02486	0.8
96.96035	0.9
113.06087	100.0
114.06430	5.6
115.00347	0.6
116.63828	0.5
128.05090	2.4
129.05580	2.3
130.05823	7.8
130.06639	2.3
132.34122	0.5
156.89439	0.7
157.05057	11.6
157.08702	2.6
157.12347	1.0
158.06186	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	157.0506
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
55.81385	0.5
57.77871	0.5
59.01108	1.0
59.01388	22.9
60.20720	0.5
71.01370	0.5
75.00864	1.0
85.02959	0.6
96.96021	0.6
97.02924	0.5
113.06086	100.0
113.94098	0.6
114.06442	4.5
127.26628	0.6
128.05087	3.9
129.05621	2.2
130.05806	6.9
130.06653	3.7
156.89532	1.1
157.05090	9.8
157.08673	2.1
158.06181	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	158.0823
Annotation	5-Acetamidopentanoate
Peak:m/z	Relative Intensity
53.14838	0.3
55.01878	1.9
55.10334	0.4
55.71064	0.4
56.63766	0.4
57.03462	1.5
58.02976	0.9
59.01386	9.6
60.01716	1.8
69.03430	0.8
71.01390	5.4
71.05009	0.4
72.00916	2.1
72.99319	0.6
73.02944	10.9
75.00877	1.0
83.01379	1.0
85.02941	3.3
86.02474	1.1
86.99114	0.7
87.00881	3.8
87.04505	2.1
97.02943	2.2
97.06572	2.7
98.00069	0.4
99.00874	2.1
99.04535	0.5
99.92586	5.0
101.02437	3.9
103.02234	0.7
105.93185	0.5
111.00891	3.4
113.02449	1.7
114.05622	0.4
114.09224	6.3
114.94920	2.6
115.07635	1.0
116.07169	100.0
116.92852	14.5
116.93790	0.7
116.93962	0.6
117.07516	4.2
122.61685	0.4
128.05052	2.4
129.01938	3.9
130.06631	5.9
158.04807	0.9
158.06168	6.7
158.08205	20.2
158.89301	3.5
158.93900	2.5
159.02992	8.0
159.06596	2.0
159.08549	0.9
159.10239	1.8
172.04126	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0402
Annotation	Phenylpyruvic acid
Peak:m/z	Relative Intensity
52.06005	0.8
59.01406	1.1
66.21545	0.9
76.80630	1.0
91.05539	100.0
92.05872	5.9
99.15699	1.4
119.05001	1.7
135.04533	8.1
146.25792	0.9
163.04025	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	163.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84866	12.3
71.07964	12.0
86.60818	11.7
88.23608	11.6
116.92083	13.2
119.04974	100.0
163.11307	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0716
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
55.28831	0.5
61.30884	0.5
72.00912	37.6
75.00874	1.0
77.62949	0.6
89.30746	0.6
91.05534	4.6
119.05038	0.7
121.02953	5.0
147.04523	100.0
148.04881	6.4
164.07172	53.0
164.08571	1.2
165.07516	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	164.0717
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
64.87353	0.7
66.49857	1.0
67.60669	0.9
71.17712	0.7
72.00533	1.4
72.00907	40.0
73.66187	0.8
80.92589	1.0
91.05545	2.1
129.26051	0.9
147.04520	100.0
148.04869	4.6
164.07164	57.9
165.07527	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	165.0557
Annotation	3-(3-Hydroxyphenyl)propanoic acid
Peak:m/z	Relative Intensity
59.01387	4.2
66.03490	1.2
67.45928	0.5
72.99306	28.8
75.00887	0.9
77.03970	7.0
91.05512	0.6
93.03441	2.8
94.02979	0.6
97.69992	0.6
101.03935	2.1
107.70538	0.4
119.05017	30.1
120.05382	2.2
121.02947	100.0
121.06585	0.9
122.03245	6.1
122.06110	2.2
137.02402	0.7
146.92484	0.5
147.04526	74.7
148.04877	5.5
150.03212	3.3
164.89760	0.6
165.01949	8.3
165.05566	31.8
166.06007	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0349
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
52.72688	0.4
55.68383	0.4
56.19999	0.4
60.10446	0.4
65.00329	0.9
69.03432	0.5
79.70657	0.4
80.02654	1.9
81.03455	0.7
85.33399	0.5
91.01883	6.9
95.01366	1.6
95.05013	0.5
97.02929	2.6
101.34265	0.5
108.02171	57.0
108.04540	2.4
108.28821	0.5
109.02494	2.1
111.00874	0.6
111.04520	0.5
111.36243	0.4
112.78946	0.5
121.02989	0.7
123.00887	0.7
123.04514	25.7
124.01627	2.1
124.04880	1.0
125.02417	2.7
139.04013	1.1
152.01155	100.0
153.01495	4.8
167.03508	28.3
167.06108	15.4
167.07393	0.9
168.03899	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44939	1.4
58.02985	100.0
69.41280	1.6
79.10030	1.7
82.95404	2.9
87.00845	4.0
97.02937	2.1
100.77232	1.5
108.04519	2.2
127.66283	1.6
137.36496	1.8
168.13907	8.3
169.05066	2.2
188.67563	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	168.9993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20270	0.6
53.62096	0.7
54.54502	0.7
54.82315	0.7
59.01385	5.7
60.01670	0.8
61.41770	0.7
65.02049	0.8
71.01386	8.2
74.99382	1.9
78.47047	0.9
80.96507	4.1
117.00454	0.9
125.00964	17.4
126.98875	100.0
127.98929	7.9
130.35809	0.8
134.66235	0.9
141.97571	19.5
142.97713	1.3
150.97084	4.8
154.63474	0.9
168.98151	6.5
168.99934	25.4
170.00032	1.8
172.12578	0.9
177.69890	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04890	2.0
57.77997	2.1
60.99298	4.7
66.32403	2.0
66.32764	2.3
66.51593	2.1
66.84074	1.8
69.29217	2.0
82.08886	2.3
95.04990	2.3
97.02950	9.2
102.72829	2.8
107.06154	100.0
109.02853	2.9
109.04856	4.3
111.04466	2.4
111.65158	2.9
139.03995	2.6
142.05124	31.0
151.04073	3.0
169.05080	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	171.0663
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
50.28024	0.4
53.22733	0.5
54.40125	0.4
58.00599	2.2
59.01392	6.6
62.28056	0.5
63.39412	0.4
66.51962	0.5
67.05521	0.9
67.63190	0.4
71.01382	0.8
71.05018	0.8
77.45102	0.6
81.14817	0.5
88.01968	0.6
103.04234	0.6
109.06590	6.9
127.07643	100.0
128.08031	4.8
130.08742	1.0
139.04022	0.7
142.69122	0.5
143.42952	0.5
144.04578	0.5
166.56143	0.6
168.96867	0.6
171.06660	6.4
171.10226	4.8
176.33672	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1026
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
58.82692	0.7
83.79863	0.9
86.33671	0.9
99.80301	0.9
125.09696	1.5
127.11300	6.0
153.09236	0.9
171.10268	100.0
172.10553	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	172.0979
Annotation	N-Acetylisoleucine
Peak:m/z	Relative Intensity
55.01883	1.0
57.03458	1.1
58.02975	2.5
59.01387	3.6
59.68545	0.5
67.01904	0.6
69.03472	0.5
71.01392	6.1
72.62208	0.5
73.02938	2.6
78.95914	0.8
81.03473	0.6
83.01407	1.0
83.05025	2.9
85.01180	3.8
85.02960	23.5
87.04523	2.7
87.84832	0.6
93.03491	0.7
96.96975	0.9
99.00864	2.7
100.07692	0.6
101.02436	2.5
108.57961	0.6
110.06139	1.1
111.00879	12.1
111.04536	2.2
111.08155	6.0
115.03962	0.6
116.05054	21.5
116.66953	0.6
124.98766	2.1
128.07138	0.7
128.10808	7.0
129.00220	0.6
129.01921	3.7
130.06642	2.5
130.08728	100.0
131.03760	3.8
131.08247	8.2
131.09119	3.4
142.99869	3.2
143.06119	2.6
144.04552	36.9
144.44341	0.5
145.01448	0.9
145.04890	3.2
146.06093	0.9
154.05328	0.8
154.99841	0.7
155.06102	0.7
162.05579	2.6
172.04036	8.3
172.06223	1.1
172.09746	16.0
173.00914	1.3
173.04590	2.4
173.06932	4.4
173.08403	1.5
173.10376	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.098
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
51.07571	0.4
58.02984	1.0
60.42210	0.5
61.27608	0.4
64.16778	0.4
66.72330	0.5
84.93381	0.4
85.02954	2.0
94.94884	0.4
100.28601	0.5
111.76591	0.5
128.10828	4.2
130.08730	100.0
131.09064	4.4
138.63356	0.5
154.58681	0.5
172.09785	16.6
173.70119	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.009
Annotation	trans-Aconitate
Peak:m/z	Relative Intensity
50.73748	0.7
55.01879	5.5
57.03450	5.8
58.02972	1.7
58.99895	0.6
59.01386	1.4
67.01888	7.7
68.99824	0.9
69.95518	0.8
70.42511	0.8
71.01384	38.8
72.01706	1.2
72.99303	1.2
73.02918	1.3
83.01386	4.6
85.02950	97.5
86.03275	1.3
87.00880	0.7
87.87096	0.7
88.04034	6.1
96.99319	1.1
99.00883	17.1
100.07682	0.8
101.02441	4.4
102.02758	1.1
104.33614	0.7
111.00879	100.0
112.01192	1.8
112.98806	1.6
124.98795	16.5
128.07207	0.9
129.01924	16.8
142.99858	19.3
154.99899	4.0
173.00885	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	173.009
Annotation	trans-Aconitate
Peak:m/z	Relative Intensity
50.73748	0.7
55.01879	5.5
57.03450	5.8
58.02972	1.7
58.99895	0.6
59.01386	1.4
67.01888	7.7
68.99824	0.9
69.95518	0.8
70.42511	0.8
71.01384	38.8
72.01706	1.2
72.99303	1.2
73.02918	1.3
83.01386	4.6
85.02950	97.5
86.03275	1.3
87.00880	0.7
87.87096	0.7
88.04034	6.1
96.99319	1.1
99.00883	17.1
100.07682	0.8
101.02441	4.4
102.02758	1.1
104.33614	0.7
111.00879	100.0
112.01192	1.8
112.98806	1.6
124.98795	16.5
128.07207	0.9
129.01924	16.8
142.99858	19.3
154.99899	4.0
173.00885	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	173.0818
Annotation	Suberic acid
Peak:m/z	Relative Intensity
57.03457	5.4
64.59409	0.5
70.49657	0.5
78.99445	0.5
81.03458	0.5
83.04523	0.6
83.05022	16.0
101.54620	0.5
101.75346	0.5
104.80148	0.5
108.49180	0.5
109.06574	4.3
111.08154	100.0
112.08482	4.6
129.09203	7.5
149.49597	0.5
155.07080	0.8
173.08179	41.4
174.08484	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	175.0248
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
57.03457	1.1
59.01387	26.6
71.01384	32.6
72.99307	5.2
73.02945	1.4
84.10954	0.9
85.02955	4.0
87.00874	100.0
88.01222	2.1
112.98789	1.9
113.02452	1.4
115.00369	98.5
116.00706	1.5
175.02492	28.5
184.74719	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0611
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
55.18367	0.6
57.03456	1.1
59.01383	7.2
71.97206	0.8
85.02916	1.1
85.06584	42.4
86.06915	1.1
87.04476	1.5
94.28401	0.8
102.72675	0.6
113.06082	40.1
114.06398	0.9
115.04002	100.0
116.04314	3.2
129.05534	1.2
131.07114	8.7
154.80229	0.6
157.05038	10.1
175.06111	50.1
176.06468	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	175.0611
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
55.64678	0.5
57.03447	1.0
59.01384	5.0
63.80141	0.6
64.40245	0.5
71.04996	0.7
71.25321	0.6
76.57494	0.8
78.63663	0.7
85.02909	0.8
85.06585	43.5
86.06924	0.9
87.04508	1.5
107.55254	0.6
113.06082	38.8
114.06419	1.0
115.04004	100.0
116.04333	2.6
119.62946	0.7
129.05533	1.3
131.07092	6.8
153.93967	0.8
157.05060	8.8
175.06114	51.2
176.06487	1.2
192.50514	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	21.1
60.15755	0.8
70.43161	0.9
87.83097	1.0
104.02682	100.0
105.02959	3.9
105.03552	1.7
120.02146	10.8
123.00874	5.3
133.02959	10.1
148.00490	2.2
148.01678	63.6
149.02020	1.6
176.01155	66.4
177.01927	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	177.0194
Annotation	Esculetin
Peak:m/z	Relative Intensity
59.01392	14.9
62.19454	0.3
71.37036	0.4
75.70284	0.3
77.03959	0.4
81.03468	2.7
86.48660	0.4
89.03966	10.9
93.03443	0.9
95.05008	1.7
98.74039	0.4
105.02786	0.8
105.03457	16.8
105.39080	0.4
106.03794	0.5
109.02892	0.4
121.02916	0.5
133.02945	33.1
134.03267	1.7
139.03989	1.6
149.02426	4.5
159.52594	0.4
177.01935	100.0
178.02280	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	178.9507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98884	0.3
53.05860	0.4
59.01386	13.4
59.98098	0.3
60.73917	0.4
71.01378	10.1
72.99306	0.6
78.95914	1.0
89.02444	5.4
101.02464	0.5
134.96097	5.9
136.94002	100.0
137.94075	6.3
151.92723	14.0
152.92839	0.5
178.95055	40.2
179.95160	3.3
196.20863	0.5
196.96034	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.056
Annotation	alpha-D-Glucose
Peak:m/z	Relative Intensity
55.01888	1.2
57.03456	0.7
58.00596	3.3
59.01385	100.0
60.01719	0.9
67.15659	0.5
68.24886	0.5
71.01380	73.8
72.99297	4.4
73.02946	1.3
73.95132	0.5
75.00873	7.6
75.80770	0.5
83.01403	1.1
85.02939	6.1
86.90052	0.5
87.00890	2.7
89.02437	38.5
95.01381	2.1
99.00884	0.6
101.02432	8.5
103.88864	0.5
106.32346	0.5
108.04360	0.6
113.02446	6.6
117.48544	0.5
119.03506	2.1
128.25011	0.4
161.04591	1.1
179.05600	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	179.056
Annotation	alpha-D-Glucose
Peak:m/z	Relative Intensity
54.26846	0.4
54.89927	0.5
55.01884	2.4
56.20254	0.4
57.03464	0.7
58.00600	4.2
59.01390	100.0
60.01733	0.9
67.15952	0.4
71.01384	75.5
72.01728	2.0
72.99306	3.7
73.02969	1.0
75.00877	3.4
81.28362	0.5
83.01403	2.5
85.02967	6.8
87.00897	2.5
89.02441	35.8
90.02787	0.7
95.01380	2.2
101.02433	10.2
113.02445	7.6
119.03519	1.8
155.43825	0.6
161.04662	0.7
162.81180	0.5
179.05690	2.9
197.92178	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.056
Annotation	alpha-D-Glucose
Peak:m/z	Relative Intensity
52.94635	0.4
54.42650	0.5
55.01868	1.1
58.00591	4.2
59.01385	100.0
60.01699	0.7
71.01379	79.3
72.01701	0.9
72.99291	3.5
73.02954	0.7
83.01381	3.2
85.02950	5.6
85.44164	0.5
87.00849	2.5
89.02436	37.4
95.01382	2.8
100.44310	0.5
101.02435	10.0
113.02434	5.8
119.03465	2.2
161.04579	0.6
188.01952	0.6
193.44443	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0667
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
59.01384	11.0
60.01706	4.7
70.60571	0.7
71.01375	6.5
71.01707	0.7
72.00533	1.4
72.00907	30.0
72.01718	4.6
74.02460	1.6
78.86087	0.8
81.08205	0.9
89.02444	1.8
90.02751	1.5
92.12326	0.9
93.03442	24.1
102.02766	1.0
106.04201	2.0
107.05008	2.0
119.05014	69.0
120.05322	3.6
134.06020	2.0
136.07635	0.9
146.86723	0.9
152.81561	0.9
157.87244	0.9
162.05573	0.9
163.04002	89.4
164.04358	2.2
174.21507	0.8
180.06653	100.0
181.05109	1.3
181.06969	6.5
183.83543	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0459
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
56.09904	0.3
59.01387	2.3
61.98854	0.4
64.88068	0.4
66.03489	0.5
67.03023	0.5
71.01374	0.7
73.28419	0.4
79.95075	0.3
81.33584	0.3
83.05033	0.5
92.05048	4.7
93.03460	1.5
93.58900	0.4
94.02999	1.4
94.03725	0.5
96.04553	0.6
97.02929	1.4
100.05476	0.4
108.04552	62.6
108.50793	0.3
109.02952	2.5
109.04890	2.8
110.06147	0.8
111.04518	2.4
112.05177	8.7
116.89456	0.4
120.04552	6.7
122.02467	0.7
122.06142	0.6
123.03254	0.9
123.04510	0.7
128.11072	0.4
136.04045	0.5
137.06041	0.6
138.05605	100.0
139.04111	0.5
139.05956	5.0
139.07640	0.4
182.04587	21.3
182.09326	0.7
183.04944	1.7
183.06540	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1026
Annotation	Crocusatin B
Peak:m/z	Relative Intensity
57.03448	56.0
59.01386	39.9
67.15600	8.1
68.99580	19.0
69.03452	40.6
71.01366	12.2
73.02946	14.2
75.95170	10.5
83.05044	15.2
85.02982	13.2
93.03500	14.5
94.02984	71.8
94.03510	10.0
97.02943	20.8
101.02444	24.3
101.87768	10.8
105.37552	9.6
108.04521	22.0
109.02964	98.2
111.00883	14.8
111.04520	21.7
111.08163	21.6
112.04051	19.0
112.98540	18.7
115.39095	10.8
121.10233	80.6
122.02486	53.2
124.04062	89.0
128.03273	9.9
136.04022	17.4
137.09778	12.2
139.07684	23.0
139.11278	95.9
147.33992	10.7
165.05606	25.6
183.06662	46.1
183.10245	100.0
184.06160	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	183.1026
Annotation	(3R)-3-Isopropenyl-6-oxoheptanoate
Peak:m/z	Relative Intensity
50.76459	0.5
57.03447	0.9
59.01397	2.0
61.98829	1.0
67.01904	0.5
68.98637	0.5
69.03455	3.0
71.01392	1.0
73.02958	0.7
83.05037	5.0
85.06598	7.1
87.00812	0.5
92.65903	0.5
93.03423	1.0
94.02989	2.1
95.05039	2.3
97.06593	9.0
101.02415	6.1
108.04549	0.6
109.02943	3.9
111.04498	3.3
111.08155	2.3
121.06584	0.7
121.18300	0.6
122.02534	1.1
123.04491	0.6
123.08143	3.8
124.04051	0.7
136.04019	0.6
137.09700	1.0
139.07683	1.2
139.11287	100.0
140.07179	2.3
140.11600	7.1
165.05600	0.8
165.09196	0.6
183.06728	2.0
183.10269	6.1
184.06133	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	185.0819
Annotation	cis-2-Carboxycyclohexyl-acetic acid
Peak:m/z	Relative Intensity
52.47853	0.5
59.01381	1.2
69.03446	1.1
75.09328	0.6
76.57574	0.7
80.02658	1.0
81.07083	5.5
85.27412	0.6
85.70282	0.6
95.05020	11.4
105.07096	1.0
121.06594	6.8
123.08158	100.0
124.08467	5.8
127.11591	0.6
141.09227	51.9
142.09549	3.0
176.43164	0.6
185.08194	87.9
186.08524	5.0
200.05951	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.082
Annotation	cis-2-Carboxycyclohexyl-acetic acid
Peak:m/z	Relative Intensity
59.01383	2.7
61.09984	0.3
63.44682	0.4
69.03454	0.4
75.55559	0.4
80.60404	0.3
85.02988	0.4
93.26472	0.4
97.02937	0.4
120.47926	0.4
121.06603	0.6
123.08174	12.2
124.08447	0.4
125.02453	0.5
141.09227	100.0
142.06641	4.1
142.09558	5.6
185.04594	0.5
185.08163	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	185.082
Annotation	cis-2-Carboxycyclohexyl-acetic acid
Peak:m/z	Relative Intensity
50.26305	0.3
53.47715	0.4
57.03440	0.7
59.01397	3.8
61.98805	0.5
62.80333	0.4
64.04565	0.4
69.03446	0.8
71.01382	1.1
97.02955	0.7
97.06597	0.7
100.04091	0.5
111.37370	0.4
123.08156	10.9
124.89215	0.5
125.02435	0.9
141.01985	0.5
141.09225	100.0
142.09566	5.5
185.04527	0.7
185.08237	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	185.1184
Annotation	Epomediol
Peak:m/z	Relative Intensity
59.01380	4.7
69.03451	0.6
71.01378	1.0
73.14184	0.6
75.17169	0.5
81.51566	0.6
83.05016	0.9
85.02959	0.9
97.02914	0.7
123.08135	0.6
124.92107	0.5
125.02423	0.7
139.11267	2.5
141.09293	2.0
141.12886	0.7
149.09756	1.2
155.10783	13.7
156.11130	0.7
167.10770	32.9
168.11061	2.5
169.97899	0.7
185.11829	100.0
186.12117	3.6
204.05954	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01104	0.6
59.01384	88.4
62.42120	0.7
64.33723	0.9
71.05009	0.8
85.02937	1.2
97.06577	1.1
114.05393	0.8
115.02496	3.5
117.00438	11.2
123.08157	1.2
124.39841	0.8
125.09711	13.3
127.05098	1.3
127.87094	2.0
142.89359	8.7
144.99976	1.5
159.01491	100.0
160.01587	10.4
167.75630	0.8
186.88281	2.5
187.01010	9.2
187.09741	8.2
188.01097	1.1
190.92992	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37038	1.4
55.01873	12.5
57.03445	7.6
58.02980	2.7
58.58937	1.6
59.01389	40.9
63.78019	1.4
69.03434	6.5
71.01382	100.0
71.05019	6.9
72.99322	2.4
73.02940	28.9
83.01394	16.8
83.05040	6.5
85.02950	54.2
87.00888	2.1
89.02480	2.0
95.01360	9.1
97.50785	1.7
99.00879	31.8
101.02435	32.9
102.05618	7.6
111.04539	3.2
113.02462	35.5
114.01862	4.3
114.09246	2.3
116.07170	8.4
127.04095	1.8
127.07641	30.2
129.05583	29.1
130.08749	1.9
142.08743	2.6
143.07129	9.6
144.02878	2.4
157.01427	2.4
159.03200	2.1
161.04547	9.1
171.06682	3.0
188.09274	7.3
189.07693	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.093
Annotation	Swainsonine N-oxide
Peak:m/z	Relative Intensity
53.59348	0.7
55.01878	1.3
58.02708	1.1
58.02982	22.1
59.01381	13.1
60.34724	0.7
68.05048	4.3
69.03445	3.4
70.45628	0.6
71.01381	6.8
72.99293	1.2
73.02926	2.7
82.88709	0.7
83.01414	1.1
83.05018	4.3
85.02953	5.1
89.02384	0.7
97.06572	2.9
98.06096	1.0
99.00886	1.2
99.04496	3.0
100.04018	1.0
100.07682	22.4
100.31618	0.6
101.02428	1.7
102.05613	1.6
109.06565	1.4
111.00876	0.7
111.04516	2.7
113.02442	3.1
114.09238	57.7
115.09577	1.2
125.06074	1.1
127.04026	1.2
127.07642	21.0
129.05571	21.5
142.08736	80.4
143.07187	9.6
143.09076	3.9
145.06596	0.6
146.08224	6.2
157.01480	1.4
170.08304	1.1
171.03011	0.8
171.06606	3.3
185.28189	0.7
186.07802	0.7
188.09291	100.0
188.12863	2.9
189.04079	0.9
189.07698	20.3
189.09625	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	190.051
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82319	0.6
55.81719	0.5
57.03454	0.9
59.01107	1.0
59.01385	25.0
71.38639	0.5
79.37762	0.6
85.02939	6.1
86.41777	0.5
87.00885	9.9
91.05527	100.0
92.05861	4.1
93.03420	0.7
111.00875	18.2
135.04504	6.6
136.98677	0.7
144.99986	0.6
163.04001	40.6
164.04324	1.5
176.01149	2.6
191.01945	2.3
191.03490	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0544
Annotation	N-Acetylmethionine
Peak:m/z	Relative Intensity
57.03469	7.8
57.03712	1.0
58.55394	1.3
59.01109	2.0
59.01395	45.3
66.00192	1.0
66.55349	0.9
67.01878	2.8
73.02940	2.1
75.85864	1.0
84.04551	26.6
85.02954	33.8
87.00874	53.3
98.06120	14.6
100.04033	1.6
109.46932	1.0
111.00880	100.0
112.04042	10.8
128.08015	1.6
129.01930	6.2
130.05913	6.7
130.38518	1.1
130.99870	1.3
142.05101	41.6
142.83249	1.2
148.04398	61.6
149.04730	1.3
172.04012	1.7
173.00900	4.5
176.01036	1.3
179.45387	1.2
190.05423	27.8
191.01970	13.5
191.03569	2.2
191.05692	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	191.0197
Annotation	Citric acid
Peak:m/z	Relative Intensity
55.60704	0.4
56.25270	0.4
57.03457	6.5
57.50819	0.4
58.28136	0.4
62.65335	0.4
67.01878	2.5
72.99300	0.7
73.02937	0.9
76.72100	0.7
81.30952	0.5
85.02949	31.2
85.03470	1.0
86.03256	0.6
87.00867	48.6
88.01191	0.6
111.00876	100.0
112.01217	3.8
112.15461	0.5
114.39751	0.6
129.01921	4.7
154.99866	0.6
173.00868	3.6
191.01982	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	191.0198
Annotation	Citric acid
Peak:m/z	Relative Intensity
53.70329	0.4
57.03456	6.7
57.50861	0.3
58.26698	0.4
59.01387	34.6
61.98838	0.9
62.74479	0.3
67.01887	2.0
71.01379	2.3
72.99301	0.8
73.02940	1.6
78.24353	0.3
78.24836	0.4
79.20982	0.4
83.01376	0.5
85.02950	30.8
87.00874	53.0
88.01202	1.0
99.92580	0.4
104.02679	0.7
111.00880	100.0
112.01204	3.1
115.00387	2.6
116.92869	4.7
117.01936	0.6
129.01935	5.5
132.86763	0.6
133.01436	3.6
135.90239	0.6
138.76741	0.5
154.99834	0.8
165.02098	0.7
172.99664	0.4
173.00903	3.0
176.01122	3.6
191.02020	11.3
191.03606	1.7
191.10782	6.0
192.03120	1.7
214.12929	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.02
Annotation	Citric acid
Peak:m/z	Relative Intensity
57.03457	6.0
59.01390	14.5
64.34166	0.5
67.01890	2.6
72.97848	0.4
73.02940	1.0
85.02953	29.7
85.03471	1.0
86.03307	0.7
87.00875	53.4
88.01194	0.8
88.12130	0.4
101.02444	1.1
103.19743	0.6
111.00882	100.0
112.01221	3.7
116.92828	1.1
117.01962	0.6
129.01950	6.9
130.99849	0.7
133.01407	0.6
147.74341	0.5
157.98491	0.5
173.00899	3.6
176.01149	1.2
191.01979	12.5
191.10829	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	Citric acid
Peak:m/z	Relative Intensity
57.03465	8.2
59.01398	17.7
63.28314	0.5
67.01905	2.4
71.01375	0.6
72.99298	1.0
73.02943	1.3
82.73863	0.5
83.01389	0.7
85.02962	37.4
87.00881	51.5
88.01234	0.7
93.01860	0.5
97.46846	0.5
101.02448	0.9
102.57380	0.5
111.00887	100.0
112.01232	3.6
115.00322	0.8
117.01938	0.6
119.01280	0.6
129.01953	5.7
130.99834	0.8
146.41920	0.6
150.18581	0.7
154.99908	0.9
165.02046	1.4
173.00897	2.5
176.01176	2.6
191.02032	14.5
191.05612	0.6
191.10794	13.4
192.03192	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	191.0197
Annotation	Citric acid
Peak:m/z	Relative Intensity
54.99237	0.5
57.03452	7.0
59.01382	8.4
63.04507	0.4
65.55876	0.5
66.05896	0.4
67.01891	4.4
72.99304	0.6
73.02936	1.1
85.02946	33.0
86.24245	0.5
87.00868	55.0
111.00877	100.0
112.01196	3.5
117.01904	0.9
126.91411	0.6
129.01933	6.0
130.99873	0.9
138.42719	0.6
168.31371	0.6
173.00891	3.7
176.01143	2.3
191.01984	13.1
191.10822	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	191.035
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
51.79323	0.2
54.82648	0.2
56.47721	0.2
57.03461	5.4
57.45996	0.3
59.01393	36.2
67.01904	1.9
71.01384	0.5
72.99306	1.5
73.02954	3.5
83.01428	0.5
85.02959	25.0
85.29376	0.3
86.03242	0.4
87.00880	36.2
88.01221	1.1
92.11773	0.4
101.02448	0.5
103.04050	0.5
104.02682	24.6
105.03019	0.7
111.00883	73.2
112.01195	2.6
117.01939	1.7
118.99305	0.4
120.02158	2.8
123.00900	1.1
129.01930	4.6
130.99962	0.4
131.03510	2.3
146.06030	0.3
147.03114	0.4
148.01672	24.4
149.02010	1.3
154.99835	0.4
173.00903	2.7
176.01152	100.0
177.01477	5.1
191.01949	8.0
191.03526	18.9
191.07121	0.5
192.03831	1.3
192.06641	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05466	0.1
59.01376	0.7
62.00517	0.1
63.50806	0.1
67.95461	0.1
85.02950	0.6
87.00865	0.9
95.01346	0.2
96.96002	0.2
104.02677	25.4
105.03027	1.1
111.00893	1.4
114.38701	0.2
116.93272	0.1
120.02147	2.3
123.00850	0.9
148.01668	25.7
149.02026	1.5
176.01147	100.0
177.01482	5.3
177.02913	0.3
191.03508	18.3
192.03862	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0352
Annotation	Anemonin
Peak:m/z	Relative Intensity
59.01113	0.8
59.01389	19.1
65.27042	0.3
66.56701	0.4
66.65621	0.4
71.74699	0.3
79.38458	0.4
84.41105	0.4
85.02934	2.0
87.00871	2.4
92.64845	0.4
93.74841	0.4
101.59481	0.4
104.02679	0.6
111.00887	4.0
119.05019	2.6
121.02950	100.0
122.03273	4.4
129.39951	0.4
147.04521	7.1
176.01132	3.4
191.01981	0.7
191.03534	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	197.0456
Annotation	3-Methoxy-4-hydroxymandelate
Peak:m/z	Relative Intensity
54.83222	0.7
59.01381	1.2
67.01887	9.0
69.03454	15.3
69.37020	0.8
70.72792	0.8
72.80126	0.9
72.85926	0.8
79.05497	1.6
79.34473	0.8
80.02669	0.8
81.03450	14.7
83.05006	1.0
85.02932	1.3
85.11155	0.8
90.88494	0.7
92.11890	1.0
93.03439	1.7
95.01398	7.3
95.05019	13.2
97.02943	26.0
102.69106	0.7
107.05009	0.8
108.02203	1.3
108.04529	1.2
109.02947	6.0
110.03736	0.9
111.04489	5.3
121.02953	1.3
122.03712	4.8
123.00858	6.8
123.04507	100.0
124.04851	3.7
125.02422	3.6
135.04558	1.1
138.03186	1.0
153.05574	58.9
154.05878	1.7
166.99854	1.9
182.02173	7.9
197.04626	6.3
198.07642	1.2
205.41585	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0821
Annotation	cis-2,3-Dihydroxy-2,3-dihydro-p-cumate
Peak:m/z	Relative Intensity
62.36760	0.5
63.01093	0.5
65.33092	0.5
72.36056	0.5
73.02942	1.4
80.49440	0.6
93.25453	0.6
95.01390	1.1
96.35148	0.6
102.90680	0.6
111.04533	4.5
120.61469	0.6
121.02950	0.8
123.00867	4.7
124.83788	0.5
135.08121	1.3
153.09222	100.0
154.09557	5.7
155.60873	0.6
166.99884	3.6
179.07172	1.0
182.02240	7.4
197.04594	3.2
197.08221	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	197.0822
Annotation	cis-2,3-Dihydroxy-2,3-dihydro-p-cumate
Peak:m/z	Relative Intensity
52.00080	2.1
59.01387	3.2
61.98840	3.1
71.71557	2.5
87.00964	2.2
95.01384	13.6
104.80328	2.2
108.04558	3.7
111.04520	4.7
111.11356	2.3
121.02948	14.6
123.00880	77.8
123.04436	2.7
125.02433	4.2
130.08907	2.3
138.03229	15.2
153.05574	14.6
153.09222	100.0
166.99847	37.2
182.02217	87.0
197.04559	25.9
197.08188	3.8
197.11873	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	197.0821
Annotation	cis-2,3-Dihydroxy-2,3-dihydro-p-cumate
Peak:m/z	Relative Intensity
50.93036	0.6
56.41596	0.6
59.01387	43.7
59.12080	0.6
61.98823	0.9
62.73997	0.6
67.99889	0.6
71.01391	0.9
73.51233	0.6
73.53768	0.7
95.01371	7.3
107.05033	0.9
107.08648	0.8
108.04607	2.3
121.02957	5.4
123.00867	21.7
125.02362	1.5
135.08179	9.2
136.08536	0.8
137.02501	0.9
138.03239	4.8
151.03981	0.8
153.05597	4.2
153.09212	100.0
154.09572	4.3
157.55838	0.7
166.99844	14.6
181.01324	0.9
182.02219	27.4
197.04575	12.1
197.08186	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0773
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
55.01899	14.2
57.03452	5.7
59.01395	10.8
61.98833	2.3
64.33645	1.0
65.04004	0.9
66.03481	6.3
69.03438	4.0
71.01373	6.3
71.05036	16.0
72.99306	1.9
73.02962	8.8
81.03439	1.3
83.01393	1.4
83.05027	4.4
85.02963	9.5
87.00870	4.0
92.12012	1.0
97.02942	1.7
99.04498	7.3
108.04560	32.2
109.02960	4.3
110.02457	1.1
111.00894	1.7
111.04483	5.5
111.70415	1.3
112.04049	1.6
113.02448	19.0
116.07165	1.2
116.92850	1.7
117.01882	1.2
117.05552	1.1
120.04559	1.3
122.06087	8.8
123.00891	2.3
123.04542	1.5
124.01208	5.4
125.02418	4.9
127.04012	11.9
132.04533	2.5
134.03767	2.3
135.04088	9.3
136.04031	12.5
137.06097	1.9
138.02908	1.1
138.05632	14.4
139.03978	2.4
148.04060	1.1
148.54549	1.2
150.05530	4.8
150.06485	4.6
151.03963	1.2
153.05496	1.2
155.03450	1.8
155.07101	3.9
156.89493	5.1
162.96208	1.3
176.24985	1.2
181.05013	1.9
182.02257	1.1
183.02560	7.0
198.04858	3.6
198.07735	100.0
199.06134	14.5
199.07884	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	199.0977
Annotation	Masutakic acid A
Peak:m/z	Relative Intensity
50.29937	0.5
56.31445	0.4
56.33377	0.3
73.02936	2.8
85.95304	0.4
112.35917	0.4
120.30743	0.4
135.08139	2.0
137.09709	9.5
154.06250	0.4
155.10786	100.0
156.11127	4.7
199.09801	7.3
200.10077	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1341
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
55.01879	0.6
57.03446	1.7
59.01374	1.7
60.35359	0.4
61.06554	0.3
61.98834	0.5
65.73434	0.4
69.03444	1.6
71.01326	0.6
71.05013	4.2
73.02933	2.4
78.03479	2.6
81.03453	0.5
82.64721	0.4
83.05022	1.8
85.02954	1.7
86.79271	0.3
86.98629	0.4
87.00845	0.4
92.65326	0.4
96.04510	0.4
97.02937	0.8
99.00885	1.0
99.04494	1.7
101.02392	0.5
108.10167	0.3
111.00845	0.5
111.08089	0.5
112.03992	0.4
113.02445	4.3
116.92830	2.5
116.97247	0.6
120.57079	0.4
125.02451	0.7
125.09750	1.5
127.03987	2.6
127.11302	3.8
130.92654	0.4
137.09763	0.5
139.03938	0.9
140.03517	0.5
153.12825	1.9
155.10785	4.8
156.89442	0.8
181.12296	0.6
197.11807	0.9
199.06131	3.5
199.13414	100.0
200.13748	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	199.1343
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
51.25206	0.4
57.03240	0.5
57.03456	9.5
63.59566	0.7
69.47198	0.5
71.05024	8.5
76.87907	0.6
78.03535	0.5
79.27045	0.6
83.29227	0.5
100.82362	0.7
103.08479	0.7
113.02424	0.8
118.06215	0.6
125.09714	1.0
153.12868	17.2
155.10739	0.9
172.74852	0.7
199.13419	100.0
200.13718	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	199.134
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
54.82561	1.0
55.01879	1.3
56.09384	0.8
57.03453	7.4
59.01373	6.2
61.42499	0.9
61.98823	5.0
63.23687	0.8
63.97939	0.9
66.35158	0.8
69.03453	5.2
71.01376	6.5
71.05015	28.4
72.99276	1.0
73.02937	11.0
78.03484	9.1
81.03431	1.1
83.01362	1.7
83.05022	1.8
85.02955	10.2
87.00884	3.8
88.98747	0.9
93.03433	1.3
94.60659	0.9
96.04534	1.5
97.02939	2.2
98.35404	1.0
99.00852	4.8
99.04517	8.4
99.92568	1.0
101.02444	1.8
109.02918	3.7
111.00852	1.4
111.04527	1.3
111.08154	1.2
113.02442	39.2
113.06013	1.0
114.02785	1.4
116.15047	1.1
116.92841	11.8
116.97235	4.7
117.01921	1.7
117.96472	0.9
125.02434	7.8
125.06065	1.7
126.90372	1.0
127.04002	15.9
127.23013	0.9
137.02412	1.0
137.06070	1.5
139.04012	4.1
140.03543	4.3
148.67793	0.9
153.12845	1.8
155.10782	12.7
156.89490	1.3
169.12390	8.9
181.05083	2.3
181.12337	22.1
182.12537	1.3
184.02705	1.0
199.06145	6.7
199.13409	100.0
200.13791	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89205	0.3
59.01385	100.0
60.01722	0.7
86.07219	0.3
91.65901	0.3
115.02491	0.4
115.07967	0.4
127.95750	0.3
135.85455	0.4
154.42171	0.4
157.03555	3.5
158.03702	0.5
159.01495	3.7
178.92722	0.4
187.92842	0.3
200.36545	0.4
201.02570	15.7
201.04414	0.6
202.02792	1.8
217.58226	0.4
217.60265	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.9576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86045	0.4
53.15045	0.4
57.03465	0.5
59.01392	88.9
60.01714	0.8
60.22138	0.4
61.98839	0.5
62.42878	0.4
62.53836	0.4
88.43144	0.4
92.11774	0.5
99.92582	100.0
100.92602	5.5
103.92041	1.0
104.97715	0.8
113.02444	0.8
113.37428	0.4
115.92055	2.8
116.92858	7.5
125.02444	0.8
127.87096	0.5
141.86806	20.6
141.93637	76.5
142.93655	4.3
143.03531	0.7
148.95432	0.9
159.87878	11.4
159.89241	1.4
160.89325	1.1
164.83673	0.8
166.83301	0.6
174.93423	0.6
174.99261	0.7
183.86462	0.5
201.95755	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	202.0723
Annotation	7a-Epialexaflorine
Peak:m/z	Relative Intensity
54.30825	1.0
55.01873	1.9
57.03450	10.9
58.02986	8.1
58.03215	0.9
59.01160	0.9
59.01391	16.8
69.03459	11.9
69.46684	1.0
69.81422	1.0
70.02969	7.2
71.01371	10.0
71.05042	1.1
72.04546	78.5
73.02943	2.6
82.02982	35.0
83.01395	14.4
84.04525	7.2
85.02953	11.5
85.91682	0.9
86.06100	4.9
87.00860	1.2
94.02945	1.3
97.02936	14.7
97.06560	1.1
98.02468	60.8
98.06087	6.2
99.02790	1.5
100.04029	25.0
108.04458	1.7
110.06139	12.1
112.07693	4.5
113.02447	2.6
114.05585	1.6
115.00357	1.7
116.07155	14.5
123.03225	1.0
128.07173	73.6
130.08748	15.6
138.05605	20.2
140.07176	16.8
141.01935	2.3
156.06667	52.6
157.06998	1.3
158.08228	91.0
159.08665	1.1
162.96985	1.2
185.09288	2.1
202.07228	100.0
203.01971	16.6
203.07550	2.6
203.10379	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	202.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.6
55.75275	0.3
57.03453	1.9
58.02987	3.0
58.60041	0.3
59.01387	39.7
61.63449	0.3
69.03473	0.4
69.69867	0.3
71.01380	0.7
73.02953	0.4
81.03465	0.3
83.05022	1.7
85.02960	1.3
91.09475	0.3
92.12302	0.6
92.65742	0.3
97.02928	0.5
99.08194	0.5
103.91989	0.5
113.02464	3.6
114.09248	10.1
116.07178	100.0
117.07526	2.0
119.71554	0.3
125.02465	2.8
125.06106	1.5
131.75122	0.3
141.09233	2.0
143.03508	2.0
143.07140	11.5
148.95479	0.5
158.08220	18.9
159.08633	0.5
159.89397	0.4
160.89252	0.3
184.09802	1.2
202.10867	14.3
203.09427	3.0
203.11067	0.6
221.70587	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0198
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
51.02369	1.3
52.64917	0.7
55.01873	5.3
55.02107	0.7
57.03453	7.4
58.02943	0.9
59.01112	1.7
59.01385	39.2
60.99299	1.7
67.01875	1.1
69.03452	76.8
70.03802	1.0
71.01380	53.3
71.45287	0.8
72.01686	0.8
72.99291	7.0
75.00864	7.0
79.01887	6.8
83.01370	4.4
85.02946	12.8
87.00868	17.3
92.11732	2.0
95.01385	11.3
97.02939	100.0
98.03271	2.0
99.00883	1.4
111.00845	4.0
113.02458	10.8
115.00363	8.7
115.04000	2.2
116.07169	1.5
123.00869	2.1
125.02464	5.0
129.01923	4.6
141.01927	19.6
142.02231	1.5
143.03433	2.1
157.43828	0.9
158.08220	1.1
159.02927	1.3
168.98022	1.0
185.04543	1.2
185.09305	1.0
203.01990	94.4
203.10432	1.6
204.02341	2.1
205.62019	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0827
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
72.00914	21.9
74.02477	34.7
75.30604	1.0
84.65715	0.9
116.05058	100.0
117.05389	4.3
124.24455	0.9
130.06604	1.5
132.08157	0.9
142.06624	30.9
159.09283	17.0
186.05618	2.0
203.08293	60.9
204.08603	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	203.0927
Annotation	Phellodendric acid A
Peak:m/z	Relative Intensity
51.12339	0.5
55.01878	3.2
57.03447	4.0
58.72203	0.5
59.01388	92.8
60.01714	1.0
61.98832	0.9
63.02327	0.4
69.03450	1.3
71.01376	3.2
71.84602	0.5
72.99277	0.6
73.02944	1.2
74.02477	1.1
81.03429	0.8
83.05013	1.1
83.73837	0.5
85.02950	3.3
87.00877	0.5
92.11835	0.7
97.02942	1.3
103.54810	0.5
103.92051	2.0
104.97748	0.9
106.99028	0.5
109.06543	0.7
111.04517	0.9
111.08166	5.6
113.02457	6.7
113.09715	5.4
116.05070	2.3
123.08170	3.0
125.02459	6.0
130.94357	2.2
139.07675	3.0
141.09229	39.9
142.09514	2.0
143.03494	3.8
148.95445	0.9
157.08711	62.6
158.09052	2.3
160.89331	0.8
161.04611	1.0
162.24254	0.5
185.08195	5.9
202.94218	0.9
203.09290	100.0
204.06551	0.6
204.09628	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	205.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82515	0.4
55.01894	0.6
56.94529	0.4
57.03447	2.1
59.01386	25.3
59.01686	0.8
60.54707	0.4
61.98814	0.4
67.01891	7.3
67.72779	0.3
71.01384	4.0
71.05001	1.0
72.99307	36.0
73.02949	9.2
74.02471	0.6
75.00854	0.4
76.57407	0.4
78.73875	0.4
80.37296	0.4
81.51633	0.4
83.01385	5.9
83.05023	0.9
85.02953	9.8
85.85767	0.4
87.00872	18.2
99.00874	4.8
99.04500	2.5
101.02451	3.3
106.48284	0.4
107.34126	0.4
111.00876	100.0
112.01198	2.7
115.00401	0.6
115.03995	3.0
118.03373	0.5
125.02445	2.6
127.03957	0.5
129.01947	2.7
143.03484	6.2
145.05110	1.9
154.99857	9.9
169.05130	0.5
173.00908	9.9
180.41641	0.4
187.06186	0.4
205.03535	4.6
205.05144	1.6
205.07069	0.9
205.16058	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	206.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59261	0.6
58.02980	100.0
58.96770	0.6
59.01384	9.9
70.02979	1.6
75.71729	0.7
80.53874	0.7
91.05521	3.7
147.04527	8.3
164.07155	39.4
165.07515	0.8
192.00679	2.9
206.08234	29.4
207.08447	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49870	0.5
58.02985	100.0
58.80848	0.5
59.01390	13.8
59.03299	1.2
68.46421	0.6
70.02983	1.4
72.00916	0.8
73.00381	0.7
82.90432	0.6
84.48066	0.7
86.71542	0.6
91.05537	3.6
92.11781	0.7
99.00923	0.7
111.29691	0.6
112.29994	0.7
123.00799	1.0
129.01921	1.3
131.79997	0.6
139.62534	0.7
147.02983	1.1
147.04494	7.3
161.04591	1.2
163.56902	0.7
164.01163	1.2
164.07176	37.7
165.07538	1.6
192.00659	31.1
192.86041	0.7
205.16023	0.8
206.08241	29.3
207.02985	6.6
207.08429	0.8
228.57599	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96313	0.2
55.01902	0.4
56.67172	0.3
57.03435	0.3
58.02984	100.0
59.01393	8.5
59.03328	0.6
60.85563	0.3
63.94418	0.3
65.95373	0.3
67.10679	0.3
69.03453	0.5
70.02980	0.3
71.01394	0.5
71.10257	0.3
85.02951	0.5
99.21099	0.3
120.02209	0.4
123.00917	0.6
129.01955	0.8
130.22165	0.3
134.06125	0.3
147.03024	0.8
147.04567	0.8
164.01201	0.5
164.07164	21.8
165.07442	0.7
175.00397	0.6
192.00658	25.9
206.08250	22.0
207.03038	8.7
207.08566	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0122
Annotation	2-Naphthalenesulfonic acid
Peak:m/z	Relative Intensity
51.02890	0.3
53.83021	0.3
55.01876	2.3
57.03441	1.6
59.01389	50.4
66.74223	0.4
71.01389	3.4
72.99294	2.4
73.02955	0.5
73.47431	0.4
75.00862	4.0
79.95732	19.9
83.01366	0.4
85.02947	3.1
89.02439	2.0
92.78201	0.4
99.00874	0.9
101.02422	2.4
115.05572	0.6
117.01878	0.8
119.05012	1.8
123.04477	0.5
129.01959	7.4
131.03523	1.7
143.05029	41.8
144.05365	2.6
145.02858	0.4
147.03003	6.9
147.04526	10.5
148.05080	0.4
148.53333	0.4
161.04572	5.7
165.05556	9.1
174.03185	0.5
189.05585	0.7
192.00693	2.4
192.04274	0.5
198.07178	0.4
207.01233	100.0
207.06479	3.2
208.01561	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	207.03
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63378	0.2
56.30843	0.2
59.01403	1.8
63.59596	0.2
65.56772	0.2
69.03470	0.5
75.00876	0.2
97.02953	0.5
108.02191	1.6
114.37939	0.3
120.02160	2.4
123.00886	4.1
128.72495	0.3
129.01956	0.3
135.94321	0.3
136.01720	0.6
147.03059	0.5
164.01169	5.1
164.64178	0.3
175.00377	1.5
192.00658	100.0
193.00984	4.3
199.44334	0.3
207.03001	25.3
208.03362	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0306
Annotation	D-Glucarate
Peak:m/z	Relative Intensity
57.03459	16.9
59.01387	21.2
60.54353	1.8
71.01375	33.7
72.99301	11.8
74.99093	4.5
75.00862	4.7
76.47596	2.0
85.02469	4.2
85.02954	100.0
89.02449	17.2
104.47668	2.2
120.99645	2.2
129.01945	4.2
133.01433	16.1
147.02946	3.4
191.02042	17.9
209.03072	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1185
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
57.03453	3.2
59.01396	100.0
59.48678	0.4
60.01704	0.5
71.01375	0.6
71.49163	0.5
73.17154	0.5
76.57406	0.5
80.02653	0.6
81.03460	0.6
90.80264	0.5
92.11729	1.0
95.41270	0.6
97.06589	2.4
101.75845	0.6
109.06592	4.5
121.02939	6.5
124.04103	0.6
165.12848	3.6
184.52644	0.5
209.04567	0.6
209.11847	15.2
210.12180	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0649
Annotation	Chlorotoluron
Peak:m/z	Relative Intensity
59.01390	2.7
64.69406	0.2
70.02975	0.2
71.01374	0.6
79.95728	1.1
85.02920	0.4
89.02435	0.5
96.95999	100.0
101.02424	0.6
108.02175	0.5
109.71928	0.3
123.03310	0.3
125.02425	0.5
139.03976	0.3
145.63124	0.3
151.03970	0.3
151.06110	3.3
152.01173	0.5
153.01901	0.4
159.37634	0.3
167.06104	0.6
193.05101	0.3
211.06464	45.6
212.06735	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	211.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88269	0.7
56.89107	0.7
57.84992	0.7
59.01384	8.6
66.50872	0.7
71.01373	1.2
74.94956	0.7
89.02438	1.8
151.06125	10.0
167.14439	1.0
183.13895	15.0
193.12340	3.9
198.74472	0.8
200.57469	0.7
211.13422	100.0
212.13791	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89162	0.3
76.36327	0.4
83.98573	0.4
167.14430	0.7
174.96863	0.4
175.62662	0.4
182.82555	0.5
183.13887	5.5
195.13904	16.0
196.14244	0.6
209.37579	0.4
211.13358	0.8
213.14975	100.0
214.15305	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	213.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.5
77.80177	0.2
92.11735	0.5
98.03675	0.2
132.93806	0.3
165.12872	0.3
183.13902	32.5
184.14275	1.6
191.69783	0.3
195.13918	21.6
196.14281	0.7
211.13570	0.3
213.14989	100.0
214.15308	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	215.0828
Annotation	Lycoperodine 1
Peak:m/z	Relative Intensity
51.77329	1.4
57.74808	1.6
59.01377	2.2
71.81380	1.5
72.00919	24.9
86.02471	96.6
92.05049	96.6
92.05614	3.9
116.04233	4.1
116.05048	100.0
116.05853	4.0
117.05370	3.4
129.05864	4.4
130.06630	3.5
130.08701	14.4
131.87202	2.1
140.85983	1.6
142.06609	46.1
144.08208	18.5
154.06638	11.7
156.06969	14.0
161.04845	2.6
167.06149	2.7
169.07724	18.9
171.09264	97.1
172.09734	10.9
178.25577	2.0
215.08255	53.1
216.08661	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	216.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48034	0.2
58.02979	1.6
59.01389	16.5
59.83130	0.2
68.37104	0.2
85.02977	0.2
89.02460	0.4
89.10793	0.2
91.55151	0.2
128.10811	5.5
130.08733	100.0
131.09081	2.0
132.98206	0.4
169.08528	0.3
172.09799	32.2
173.10175	0.6
174.99275	3.9
204.55867	0.2
217.00330	3.3
221.33099	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	26.6
67.71212	1.3
71.01373	9.0
71.05008	5.1
72.99298	1.3
73.04060	14.2
80.05039	2.3
81.17123	1.2
83.05051	8.0
85.02913	1.8
88.04030	13.0
89.02427	4.8
115.03988	4.6
125.06065	2.5
127.04025	4.7
130.08725	100.0
131.09052	1.4
143.11891	23.9
146.08229	6.7
150.33546	1.2
155.07109	7.8
175.54645	1.1
178.74110	1.2
187.06129	6.4
187.10880	96.3
188.11243	1.8
199.06081	9.3
216.35635	1.2
217.07249	1.9
217.11946	48.4
218.10359	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	219.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07360	0.1
50.92861	0.2
52.24604	0.2
59.01387	100.0
60.01725	1.2
61.98822	0.3
66.58339	0.2
84.04581	0.2
89.60789	0.2
96.52734	0.2
138.78346	0.2
142.80170	0.2
209.61024	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52434	0.2
51.55157	0.2
57.03456	0.3
59.01387	39.6
69.03470	0.7
71.01366	0.5
73.02943	1.0
81.03467	0.6
83.01389	0.5
83.85589	0.3
85.02955	3.2
89.02455	1.1
91.01894	0.3
92.11731	0.7
95.09105	0.3
97.02946	0.4
101.02470	0.6
107.01377	4.1
119.01384	1.9
125.02441	0.6
131.03506	1.8
132.34563	0.3
132.35588	0.3
134.99846	0.5
135.00879	13.6
147.00871	1.7
150.03264	0.6
161.04555	5.6
163.00374	28.2
178.02585	0.4
190.99872	100.0
192.00186	2.5
205.01447	1.2
206.02219	73.1
207.02466	2.7
207.14935	0.3
221.04564	19.7
222.04883	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0463
Annotation	Nifuradene
Peak:m/z	Relative Intensity
53.20467	0.8
55.01872	1.7
55.47858	0.8
57.03440	5.6
59.01370	5.1
69.03446	3.4
71.01369	4.4
72.99313	44.1
73.02959	1.1
73.84632	0.7
75.00876	8.8
77.72251	0.7
79.88216	0.8
81.03463	21.1
85.02955	40.9
86.03265	0.8
87.00860	4.5
91.52180	0.8
96.96006	0.9
97.02960	3.6
99.00883	26.1
106.68700	1.0
110.54234	0.9
111.16677	0.9
113.02442	8.4
115.03965	0.9
117.01932	4.1
125.02437	56.0
125.03351	2.2
126.02808	1.2
129.01936	78.7
130.02295	1.2
143.03467	8.0
147.02998	29.4
164.52928	0.9
169.01451	1.7
188.17549	0.9
205.03539	30.1
223.04613	100.0
224.04984	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57236	0.5
57.03437	0.5
58.19248	0.4
59.01387	100.0
60.01714	2.7
61.01804	7.6
61.98538	0.8
61.98834	17.7
71.01392	5.1
72.99283	0.5
73.02945	2.2
75.00835	0.5
83.01397	0.5
83.11188	0.5
85.02930	2.3
87.86297	0.5
89.02444	6.6
101.02435	1.0
121.02988	1.5
135.11740	0.7
141.01698	16.3
150.94815	1.0
161.04602	0.8
163.05016	2.9
163.06204	1.2
165.01863	1.1
179.10776	7.2
193.01500	0.7
207.62038	0.6
223.06178	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	223.1704
Annotation	beta-Isocyclolavandulyl isobutyrate
Peak:m/z	Relative Intensity
50.99319	0.4
51.40831	0.4
59.01386	100.0
60.01708	3.0
60.05150	0.5
61.01796	5.7
61.91516	0.6
61.98536	0.8
61.98833	15.1
63.48141	0.5
71.01369	2.6
73.02932	1.0
83.05002	0.5
85.02934	1.4
89.02412	3.1
101.02417	0.6
104.52724	0.5
141.01701	21.1
142.02086	0.6
163.04997	1.3
205.15959	2.5
223.06189	0.8
223.17043	43.5
224.17322	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1134
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
54.39488	1.1
59.01106	1.8
59.01385	38.1
59.79781	1.1
61.98832	12.1
71.01385	18.0
73.02947	23.0
75.00850	1.4
85.02943	2.6
89.02443	23.9
101.02438	4.4
113.02437	2.7
113.35157	1.2
119.03524	1.8
137.06029	1.5
143.03500	1.5
151.03886	1.4
163.11324	10.7
165.07703	2.7
178.26273	1.3
179.05582	2.3
181.12344	100.0
182.12656	2.4
207.10255	1.9
225.11314	10.1
225.14948	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	225.1134
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
50.31665	0.3
51.89018	0.3
56.92984	0.3
59.01386	100.0
60.01735	0.4
61.98825	1.7
71.01394	3.6
72.99284	0.4
81.03448	0.7
85.02966	0.4
89.02426	3.7
92.85844	0.4
93.03463	1.6
95.05023	1.5
96.96007	0.6
97.06577	4.5
101.02467	0.6
107.05013	0.4
109.06593	0.5
113.02439	0.5
114.10508	0.4
123.00883	2.0
135.08208	0.8
137.02448	0.7
140.77583	0.4
147.08136	3.6
151.11266	0.7
165.09204	1.0
179.05617	0.7
181.12372	0.4
195.02971	3.7
201.78770	0.4
210.05385	3.0
225.07661	3.0
225.11331	29.7
226.11673	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1498
Annotation	Methyl jasmonate
Peak:m/z	Relative Intensity
50.66050	0.5
54.68353	0.5
55.85048	0.4
56.88359	0.5
59.01383	7.0
61.98832	0.7
64.34806	0.5
69.60189	0.6
71.01367	1.2
89.02442	2.4
92.19628	0.5
93.49287	0.6
95.28733	0.6
98.31280	0.6
123.27201	0.6
137.00906	0.6
169.12314	0.9
181.12379	0.9
195.13937	10.2
197.15498	5.6
207.13927	25.5
225.14984	100.0
226.15323	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1611
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
59.01390	20.5
61.98825	1.3
63.44537	0.6
64.12295	0.6
67.01881	0.9
71.01391	12.9
72.61040	0.7
72.99306	1.5
79.37411	0.6
81.03463	18.5
83.01413	0.6
83.05038	99.7
84.05355	1.5
85.02951	1.8
88.98737	0.7
89.02453	13.7
93.03461	4.9
101.02444	1.9
107.06142	0.9
108.04583	1.0
109.30955	0.7
113.02436	1.6
119.03494	1.1
119.05019	5.4
123.04516	0.9
125.07248	5.3
137.02522	1.3
143.08313	2.7
163.04048	1.3
165.07799	0.9
179.05608	1.1
181.07762	1.1
181.09933	0.7
207.15024	11.9
225.04144	3.2
225.07654	1.0
225.16119	100.0
226.16426	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	225.1862
Annotation	Myristoleic acid
Peak:m/z	Relative Intensity
53.81360	0.5
54.82343	0.6
59.01387	15.2
59.50011	0.6
61.98825	2.9
63.60747	0.6
71.01368	3.6
77.49152	0.6
82.43450	0.6
89.02432	3.9
93.03429	0.8
101.02471	0.9
207.17497	1.3
225.18614	100.0
226.18951	2.7
231.31966	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1862
Annotation	Myristoleic acid
Peak:m/z	Relative Intensity
53.37540	1.9
59.01387	58.1
61.98838	44.0
64.19239	2.3
66.64584	2.1
71.01389	32.8
73.03758	2.5
77.64239	2.5
83.01402	2.3
85.02947	3.3
89.02443	31.1
93.03434	4.0
101.02421	4.4
101.44813	2.1
113.02423	4.9
136.47345	2.3
143.03436	3.2
143.85295	2.6
143.99185	4.2
165.07669	5.3
206.70393	2.6
225.16452	5.3
225.18605	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	227.1293
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
58.00603	1.9
58.70189	1.4
59.01399	12.8
61.98845	2.1
71.01377	2.3
73.86031	1.4
75.53188	1.6
76.40946	1.8
76.79310	1.5
81.03452	2.8
82.27592	1.4
83.05028	8.4
84.02183	6.7
95.05042	1.7
103.14056	1.7
112.98826	2.6
131.07838	1.4
132.28949	1.6
139.11302	1.7
163.11299	6.9
165.12833	6.3
169.01164	1.6
173.00806	1.9
192.02582	1.6
193.74445	1.6
199.13448	10.6
208.93446	11.5
209.11855	100.0
210.12215	3.9
227.12901	21.9
227.20181	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	227.129
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
54.45881	0.3
57.03416	0.4
59.01370	0.7
61.88467	0.4
64.46787	0.4
87.64945	0.4
96.62376	0.4
109.56022	0.4
111.08148	0.9
120.61026	0.4
165.12836	18.1
166.13191	0.7
183.13896	100.0
184.14241	3.6
208.93405	0.6
209.11848	2.3
227.12910	20.6
227.20300	0.7
228.13269	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
52.55546	0.2
57.03448	0.5
59.01385	2.0
59.22348	0.2
61.98812	0.3
69.03441	0.3
71.01375	0.3
76.32821	0.2
84.85804	0.3
84.86711	0.2
85.02932	0.4
86.29375	0.3
111.08144	1.5
112.98739	0.3
130.05479	0.3
145.06172	0.3
165.12842	19.3
166.13173	0.5
183.13901	100.0
184.14249	4.4
208.93506	1.1
209.11864	1.7
227.12909	23.8
227.20265	1.1
228.13301	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1654
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
57.03445	4.2
59.01373	3.6
61.98824	0.9
64.62019	1.0
65.96722	1.0
68.54588	1.0
70.31346	0.8
73.89349	0.9
81.07098	17.8
85.06587	13.3
90.13828	0.9
96.38823	1.0
99.08144	7.7
125.06115	1.4
125.09709	6.3
125.69939	1.0
126.90392	1.1
127.07599	3.8
139.11353	1.2
153.05597	5.8
154.96130	0.9
167.10872	1.0
168.91443	1.5
173.92868	1.0
181.15974	10.4
183.13864	1.6
208.93422	5.6
209.11845	2.2
227.13025	28.5
227.16534	100.0
227.20157	6.1
228.16980	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1655
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
57.03453	4.8
59.01378	3.8
59.78805	0.5
61.97181	0.5
61.98822	0.6
69.21557	0.5
71.01382	0.7
71.05018	2.2
83.04979	0.6
90.43035	0.5
101.06057	0.5
120.72404	0.5
135.36600	0.5
141.21240	0.5
165.12740	0.7
181.15958	7.3
183.13901	30.3
186.15280	0.5
208.93385	3.2
227.13141	15.5
227.16548	100.0
227.20218	5.1
228.16841	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	229.0484
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	19.6
61.98834	14.7
65.48106	8.8
67.31716	7.9
70.30626	8.5
84.91914	7.4
99.92575	12.8
115.92114	8.1
116.92888	100.0
193.25522	8.3
228.20508	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	229.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.2
67.01891	5.3
69.03464	9.9
71.01395	0.6
79.05538	0.8
80.02714	0.6
81.03464	8.1
83.05038	1.3
85.02953	1.0
93.03427	0.9
95.01395	5.9
95.05022	10.5
97.02953	21.5
97.06544	0.5
107.05014	0.9
109.02921	4.0
110.03802	0.5
111.04515	5.7
111.26820	0.5
114.00166	2.1
122.03734	3.8
123.04515	80.8
124.04810	1.8
129.98660	0.6
142.03348	2.3
151.83401	0.5
153.05574	100.0
154.05972	3.9
197.04564	16.9
214.02258	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45614	0.8
51.48061	0.8
54.83093	1.0
59.01376	5.5
68.22092	0.9
72.00910	12.4
74.02471	4.5
82.02959	1.0
92.05054	15.1
100.04044	83.3
116.05063	100.0
117.05407	0.9
118.85720	1.1
130.08708	10.6
135.63678	0.9
141.09271	1.6
142.06630	47.7
143.11906	9.4
144.08206	2.0
154.41418	0.9
156.06934	10.1
156.08200	11.5
158.09752	4.3
158.74261	0.9
168.08202	6.0
183.09247	7.1
185.08362	1.5
185.10840	45.1
186.11177	1.0
229.09837	73.5
229.11913	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	229.1445
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03448	1.9
59.01386	1.7
61.40176	0.4
62.40343	0.4
67.01901	0.4
71.05032	0.5
83.05016	0.6
125.09724	2.3
127.11282	4.3
130.06566	0.5
138.70461	0.4
167.14394	3.2
171.10257	4.7
183.13889	1.9
193.12364	0.6
209.11891	2.8
211.13425	11.9
229.14453	100.0
230.14847	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	229.1447
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
51.42649	0.2
57.03453	2.1
58.98190	0.2
71.05005	1.4
83.05021	1.0
84.02168	0.5
85.02939	1.0
86.44319	0.3
92.12270	0.3
125.09700	4.7
127.11290	6.1
155.14407	3.6
165.12848	1.1
167.14388	2.6
172.19234	0.3
183.13875	1.1
183.15886	0.2
209.11830	1.9
211.13402	3.9
211.67256	0.2
225.30171	0.2
229.14459	100.0
230.14793	4.1
242.31387	0.3
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
52.88398	0.3
57.03438	2.0
59.01378	2.0
59.12845	0.3
71.01362	0.4
71.04994	0.6
77.25164	0.4
82.02970	0.5
85.02938	0.4
87.77339	0.4
89.27075	0.4
92.12342	0.5
97.06555	0.5
101.61836	0.4
107.68497	0.3
117.10928	0.4
125.09722	3.0
127.11272	5.6
136.17751	0.4
155.14388	2.7
165.12854	0.8
167.14351	2.7
171.10312	5.4
183.13982	0.6
196.52434	0.4
201.15045	0.6
209.11826	3.7
211.13470	8.7
222.46526	0.4
229.14474	100.0
230.14810	4.8
242.25467	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93882	0.8
59.01357	2.3
60.27754	1.1
67.29863	0.9
69.59953	1.0
70.20167	1.1
71.01398	1.1
73.86488	1.1
74.06773	0.9
82.02953	1.9
82.06618	4.1
84.08192	1.3
88.04019	1.6
92.66315	1.0
93.53292	1.0
98.26724	1.2
99.00858	1.2
100.07693	1.8
102.87717	1.1
112.07654	1.4
116.06356	2.2
116.07167	44.3
117.96951	1.1
118.42780	1.1
122.67897	1.1
127.58491	1.1
130.08749	1.9
143.11844	1.9
144.03075	1.8
168.13945	8.0
185.16585	42.0
186.16940	1.7
189.54413	1.1
218.64890	1.2
229.15590	100.0
248.46863	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	9.0
59.85462	0.9
71.01376	3.9
72.99316	1.5
73.11004	0.8
78.95891	2.0
80.03622	0.8
82.02995	1.4
82.06605	1.6
85.02935	1.3
87.00877	1.8
88.99191	0.9
90.60036	0.9
96.00897	0.9
96.96040	1.1
96.96947	1.3
97.02979	1.0
99.00899	1.6
109.02933	1.2
111.04447	0.9
112.98811	5.5
115.08759	1.6
116.07166	14.4
130.08733	20.3
168.13953	4.1
173.00870	1.8
185.16588	39.5
229.05107	1.6
229.15591	100.0
230.15799	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	231.1602
Annotation	3,12-dihydroxydodecanoic acid
Peak:m/z	Relative Intensity
50.24553	0.5
57.03442	2.6
59.01153	0.4
59.01388	7.9
61.98819	0.6
67.10847	0.4
72.99294	1.6
74.05545	0.4
84.17280	0.4
87.00855	0.5
87.92529	1.8
103.92074	0.5
123.94637	1.9
127.11266	2.5
132.98199	0.5
155.14426	0.8
170.88362	1.9
171.10277	5.1
188.97266	0.6
191.73242	0.5
201.07486	0.4
213.14934	3.9
229.14465	3.5
231.16023	100.0
232.16415	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	232.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09060	0.4
56.51449	0.4
59.01387	8.6
71.01376	2.1
74.02472	100.0
81.03473	0.8
83.05036	4.2
87.92529	0.6
97.06577	2.1
114.09241	7.4
115.07652	1.0
123.94628	0.7
126.09248	8.8
128.10815	6.3
134.04538	0.7
140.10869	0.7
152.10870	1.0
154.08745	14.6
155.09019	0.6
161.02650	0.6
172.09796	57.7
173.10159	2.1
204.23293	0.6
232.11923	16.9
233.04456	0.7
239.04967	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40672	0.7
53.36550	0.7
56.04744	0.7
59.01112	1.2
59.01385	32.3
62.89782	0.7
64.70541	0.8
65.79855	0.7
71.01377	9.9
72.00918	0.9
75.00858	3.0
80.77594	0.7
85.06586	35.2
87.92516	5.0
88.04037	100.0
89.02432	0.9
89.04359	1.1
96.96004	1.4
103.91978	3.0
109.06599	0.8
113.06067	6.3
116.03588	0.9
123.94653	7.0
130.08725	1.1
160.09781	23.9
171.10225	0.9
172.87978	1.0
173.08220	1.7
190.98801	1.9
200.87666	0.9
215.09413	1.0
215.96997	1.0
232.11919	19.0
233.10252	1.8
233.15431	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51522	0.7
59.01107	1.4
59.01383	27.2
61.98798	0.8
71.01361	1.2
74.99048	3.7
75.00867	16.4
91.02208	1.1
93.00131	8.4
116.92789	1.4
121.27974	0.8
130.96638	1.0
134.99403	8.2
136.97299	2.0
148.97676	4.1
149.00951	68.8
150.00905	1.6
159.08441	1.2
161.06404	4.5
172.88017	1.2
172.97714	1.2
179.35962	0.9
190.98715	11.3
201.04170	0.9
215.05548	1.0
217.07213	100.0
218.07323	5.0
233.10345	82.5
233.15237	6.8
234.10460	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	234.0985
Annotation	CHEBI:133389
Peak:m/z	Relative Intensity
57.03446	0.6
59.01389	9.2
60.41821	0.7
68.30544	0.6
69.02972	0.6
71.01365	1.0
71.05017	17.2
72.00900	1.5
72.99296	0.7
73.02940	3.5
85.02929	1.1
86.02473	9.4
87.00869	2.9
99.04513	7.3
99.70385	0.7
104.03528	100.0
116.07115	1.0
127.17995	0.6
129.05550	1.0
132.03001	4.2
146.08247	15.1
147.06558	0.8
158.08240	0.8
188.09273	7.0
234.09830	74.1
235.10242	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1499
Annotation	Metolachlor morpholinone
Peak:m/z	Relative Intensity
51.19949	0.1
59.01387	10.6
73.02953	0.2
75.00906	0.2
85.03034	0.2
120.18408	0.2
129.81641	0.2
130.74249	0.2
134.89520	0.2
148.93871	0.3
152.45453	0.2
175.06233	0.2
179.07144	1.0
207.13936	1.1
218.11870	3.0
219.12451	0.3
234.15007	100.0
235.15320	4.1
251.11639	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	235.0724
Annotation	N-Formyl-D-kynurenine
Peak:m/z	Relative Intensity
50.85843	1.6
50.96001	1.2
58.35954	1.2
58.63489	1.2
59.01390	36.7
61.98829	3.3
71.01373	2.8
71.60919	1.3
72.00903	19.6
73.02932	7.8
74.26336	1.4
85.02941	1.7
86.02416	1.8
87.05628	72.6
91.05500	2.8
92.05042	16.6
92.12342	1.9
94.02991	2.7
98.51738	1.5
101.02435	2.8
115.04004	2.9
116.05009	11.9
118.02972	2.7
118.06607	9.1
120.04528	6.7
127.04004	2.3
128.05058	10.0
129.05800	3.0
130.06615	100.0
131.03764	32.9
132.04539	1.6
134.06110	3.1
144.04552	56.4
145.05276	2.4
145.07724	2.8
146.02461	2.0
146.06129	29.7
147.03481	1.6
147.04530	16.5
147.09337	1.6
148.04056	43.7
154.05370	3.2
155.06088	6.9
159.03154	1.5
160.04028	14.7
161.04825	1.8
164.07182	8.6
172.04033	7.9
173.07184	12.0
174.05585	66.3
175.06113	3.2
190.05099	42.7
191.08226	8.5
191.11867	1.9
217.06310	2.2
218.04596	2.9
235.07368	25.5
235.10858	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1089
Annotation	Phe-ala
Peak:m/z	Relative Intensity
59.01387	57.9
60.29729	0.9
61.98829	7.3
66.03477	1.0
70.02963	3.6
71.01379	6.4
72.00913	1.1
72.99329	1.2
73.02946	8.6
83.04996	1.0
85.02959	6.1
87.00878	1.3
87.05634	100.0
89.02438	2.2
91.05540	6.2
92.05024	0.9
92.57426	0.9
92.65028	0.9
94.02978	5.3
95.65380	0.9
101.02450	2.2
110.03591	1.1
111.04472	0.9
113.02460	1.1
115.04007	4.7
118.82107	1.0
120.04537	1.0
121.02942	1.0
127.04007	4.0
130.06650	1.4
131.03584	0.9
135.04543	1.6
141.53542	1.1
145.05048	1.1
146.06140	1.5
147.04517	22.5
148.04074	3.7
164.07161	7.8
174.05603	1.6
175.06140	8.6
190.05086	1.4
191.11938	2.2
221.80975	1.1
235.05904	7.4
235.10904	73.9
236.11206	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	236.0202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58198	0.6
58.61412	0.6
59.01400	4.3
61.16555	0.5
61.98834	2.4
63.52929	0.5
69.03456	3.1
73.02956	0.6
75.02408	2.3
76.01928	2.9
91.01884	3.8
94.03036	0.8
95.01381	1.5
96.75978	0.5
97.02931	1.1
100.19976	0.7
103.01882	3.4
104.01412	1.0
107.01405	3.8
110.87718	0.6
119.01378	8.8
122.02485	14.8
123.00884	3.3
132.00917	13.8
137.02449	3.3
147.00893	13.4
152.70885	0.6
165.01979	1.3
175.00377	17.1
175.99841	1.0
176.39874	0.6
193.01451	4.1
194.98174	1.5
220.99684	100.0
222.00021	2.2
236.02020	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90640	0.7
54.69696	0.7
55.60237	0.8
57.28226	0.8
59.01382	5.5
61.98828	3.8
62.13239	0.8
63.96244	100.0
70.50409	0.8
75.00867	1.5
79.95734	5.6
87.00899	1.1
88.03506	0.8
88.14417	0.9
91.07976	0.8
99.00340	0.9
116.05392	56.0
116.06207	2.0
119.92570	0.9
126.12865	1.2
135.22624	0.9
188.11153	19.1
194.98164	4.5
236.09595	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	236.0929
Annotation	Fumariflorine
Peak:m/z	Relative Intensity
53.32692	0.5
57.03454	0.8
59.01389	6.7
60.01744	0.6
61.98823	2.8
62.13364	0.5
71.01360	3.2
72.00908	2.7
72.99277	2.6
73.02932	2.9
75.00449	1.3
75.00869	30.0
85.02953	1.0
86.02439	0.6
87.00858	2.7
88.04038	100.0
89.02435	1.1
89.04361	0.9
91.05533	5.3
99.00877	0.8
100.04043	10.7
113.02445	1.0
118.06677	2.3
120.04546	0.7
129.01897	1.2
144.04558	1.2
146.06128	0.8
146.09778	7.5
147.04524	22.6
147.06404	0.8
148.04028	1.1
149.06094	1.2
162.05571	1.0
162.06772	2.3
164.07173	20.5
174.05600	0.7
174.09233	2.6
177.04080	0.8
190.08730	2.4
192.10316	14.3
209.20844	0.7
236.05666	1.7
236.09286	62.5
237.09613	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	239.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.6
57.03442	1.0
58.00604	2.4
59.01385	100.0
71.01378	39.9
72.99309	2.2
73.02946	0.8
83.01398	1.1
85.02941	6.9
87.00876	5.4
89.02436	46.8
91.53246	0.4
95.01382	3.6
100.60648	0.4
101.02430	11.4
101.32318	0.4
108.48054	0.6
113.02446	11.4
116.64035	0.6
117.01929	0.7
119.03498	12.6
131.03520	2.1
143.03520	2.1
149.04613	0.6
151.62775	0.5
154.55063	0.5
161.04564	5.2
178.51483	0.5
179.05608	19.6
220.81377	0.5
221.06708	0.6
239.07861	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15049	0.1
51.86464	0.1
54.19981	0.1
61.98832	100.0
79.60287	0.1
81.30952	0.1
89.85004	0.1
92.11775	0.2
109.43108	0.1
122.72466	0.1
135.69576	0.1
156.34468	0.1
233.06111	0.1
238.80009	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	242.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85899	0.1
56.79393	0.1
61.98834	100.0
116.83475	0.2
179.81801	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0622
Annotation	Uridine
Peak:m/z	Relative Intensity
59.01383	1.7
61.98836	67.9
62.98524	2.5
66.03492	15.1
66.80431	1.6
68.01410	2.7
71.01376	2.4
80.54762	1.5
82.02985	34.5
87.00860	1.5
94.02972	3.7
97.50287	1.7
108.04599	1.6
110.02480	100.0
111.02037	12.3
111.02669	1.6
122.02457	12.2
124.04053	2.6
140.03537	9.2
150.76247	1.5
152.03511	20.5
153.03076	6.6
186.29062	1.6
200.05678	33.8
227.27765	1.5
243.06248	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.124
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
55.36219	0.9
57.03462	1.0
57.55707	0.8
59.01388	5.5
61.98838	14.2
64.34901	1.0
64.36811	0.8
66.24697	1.0
71.05014	6.1
73.02953	2.4
78.21421	0.9
83.05006	1.0
96.36726	0.9
97.02931	7.1
97.06592	2.3
99.00879	17.0
109.06560	1.9
110.03719	4.3
111.51093	0.9
125.09704	9.8
127.11343	1.2
136.05246	1.1
142.02721	2.2
144.39209	0.9
147.83191	1.0
150.56133	1.0
155.14488	1.3
163.11305	12.5
181.12355	28.4
197.11917	1.5
199.13426	24.4
207.10301	57.2
225.11353	86.2
226.11668	4.0
243.12387	100.0
243.15916	7.5
244.12718	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	243.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08345	0.7
57.03445	3.9
59.01395	75.6
61.98844	22.7
62.98531	1.1
73.02930	4.3
95.04983	0.9
106.16500	0.9
107.69875	0.8
110.02483	2.1
120.83257	1.0
137.09741	1.4
139.11284	42.4
146.30156	0.8
161.34373	1.1
163.11256	1.7
165.09258	1.5
181.10866	1.2
181.12364	22.6
183.10266	49.8
192.18381	0.9
199.13416	17.3
207.10312	4.1
210.76674	0.9
225.02449	1.1
225.11359	21.3
225.44598	1.1
243.12381	100.0
244.12837	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	243.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.6
61.98838	7.3
71.05012	3.5
73.02946	1.2
83.05010	0.8
91.07396	0.7
97.02956	6.1
97.06561	1.5
99.00872	15.1
108.42418	0.6
109.06612	1.5
115.27534	0.6
119.48242	0.7
123.08149	1.2
125.09690	7.2
135.08186	0.7
142.02707	0.7
146.34500	0.6
155.14429	1.6
163.11292	9.0
181.12341	23.1
192.50586	0.6
199.13379	13.3
203.75105	0.7
207.10281	43.8
208.10570	1.0
225.11351	68.8
226.11748	1.2
243.12386	100.0
244.12735	3.4
258.99341	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1713
Annotation	Ile Leu
Peak:m/z	Relative Intensity
59.01389	4.2
61.17390	0.4
61.98835	4.8
82.06613	1.4
92.11767	0.5
95.05017	0.5
109.01677	2.4
110.02470	0.5
112.07690	0.9
114.09242	0.8
119.05025	1.9
127.54762	0.4
129.10335	5.1
130.08730	55.6
153.09296	0.5
160.56117	0.4
163.04013	0.6
178.01675	0.4
182.15562	0.7
199.09717	0.5
199.18182	30.1
200.18401	0.7
225.07732	2.1
243.03369	0.8
243.08754	2.4
243.17140	100.0
244.17442	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	245.1395
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
50.44135	0.6
55.18446	0.5
57.03448	1.4
59.01379	3.2
69.51408	0.5
71.04998	0.9
73.02956	0.7
83.05019	1.2
95.34642	0.6
97.06590	1.1
107.58338	0.5
111.08154	3.8
125.09692	1.1
125.89359	0.6
130.99138	0.6
155.14435	2.5
155.91194	0.6
163.11307	1.1
165.12845	25.7
183.13905	25.3
193.92165	0.6
199.13417	1.2
201.14966	13.1
209.11888	15.4
225.11440	1.2
227.12930	59.3
228.13268	1.3
243.12340	0.6
245.13965	100.0
246.14304	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	245.1758
Annotation	CHEBI:79279
Peak:m/z	Relative Intensity
53.98096	0.6
54.82571	0.6
55.27710	0.7
59.01384	100.0
61.63303	0.8
61.63641	0.7
61.98833	1.5
69.19730	0.8
82.95396	1.3
87.00853	5.2
98.13702	0.8
98.99776	0.9
99.92605	0.8
113.71937	0.9
124.26701	0.9
138.31985	0.8
160.04143	1.0
173.07185	3.3
174.99263	3.8
185.15430	1.3
192.46460	0.8
197.90295	0.8
245.17575	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21639	0.3
59.01385	12.5
60.45322	0.3
61.98819	0.4
71.01375	0.4
72.57110	0.3
72.99312	2.4
74.02464	1.3
87.17223	0.3
92.43523	0.3
116.05063	5.5
128.05060	2.8
130.06621	2.2
132.98193	0.5
142.06624	100.0
143.06937	1.4
158.06108	13.4
162.72574	0.4
172.04211	0.4
174.99283	0.6
186.05595	18.6
186.11301	0.6
186.95605	1.6
204.06673	34.7
246.07901	0.5
247.78020	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0984
Annotation	Valinopine
Peak:m/z	Relative Intensity
51.19286	0.5
54.82780	0.6
55.01863	0.7
57.15912	0.5
59.01384	6.5
69.61717	0.6
70.02993	0.6
71.01377	9.6
72.04538	3.5
72.11020	0.6
73.95901	0.7
82.02982	1.5
96.00900	4.1
99.91996	0.6
109.01696	33.7
114.01967	0.8
114.09251	8.4
115.00340	1.0
130.08734	100.0
138.09238	1.5
140.10825	18.4
142.08737	18.7
156.10233	0.7
166.08754	7.9
168.06743	0.8
174.99278	0.9
184.09827	5.7
186.07713	2.7
210.07729	28.9
212.23752	0.6
228.08829	11.6
246.09828	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	246.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46918	1.3
54.21305	1.3
55.01891	6.6
57.03458	3.1
58.00617	1.6
59.01108	2.9
59.01396	78.6
59.30874	1.5
71.01389	100.0
72.99307	2.8
73.02947	24.9
76.04127	1.5
76.30172	2.0
83.01394	9.2
85.02952	49.9
87.00840	1.9
89.02448	28.4
92.12363	2.2
92.25600	1.7
95.01397	9.5
98.02428	2.4
99.00881	8.6
101.02442	46.2
109.01675	3.6
113.02448	37.3
118.17049	1.7
119.03508	3.8
130.08743	9.0
146.34363	1.6
159.03050	8.7
161.04553	68.1
166.08755	1.7
210.07793	3.0
220.96497	1.9
224.02199	1.7
228.08858	2.0
245.35052	1.8
246.09978	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	246.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05751	0.5
54.82430	0.6
55.01876	1.4
57.03432	0.6
59.01145	0.6
59.01382	9.8
60.22926	0.5
70.02965	0.6
70.63772	0.5
71.01377	10.2
72.04530	3.4
80.05047	0.6
82.02962	1.0
84.22652	0.5
85.02938	0.6
90.95459	0.5
90.97128	0.7
96.00884	2.5
98.85566	0.5
99.00914	0.6
106.41598	0.6
109.01685	33.6
114.01942	3.9
114.09219	7.0
115.00356	0.6
130.08725	100.0
132.98163	2.1
136.64626	0.5
138.09259	1.2
140.10815	15.0
142.08734	18.7
166.08710	7.5
174.99254	0.6
184.09822	5.4
186.07722	4.5
186.95589	2.5
195.96677	0.6
210.07724	27.6
218.02911	0.5
228.08794	11.4
240.40434	0.7
245.17751	0.7
246.09830	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	247.1704
Annotation	5-Hydroxy-8-methoxycalamenene
Peak:m/z	Relative Intensity
53.43020	0.1
55.97748	0.1
59.01393	1.2
63.83392	0.1
86.82085	0.2
126.77656	0.2
140.62260	0.2
146.43553	0.2
154.22107	0.2
205.15948	0.3
220.17126	1.1
231.13945	0.4
247.17055	100.0
248.17395	2.3
268.10410	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1863
Annotation	9-Oxo-2beta-methoxyclovane
Peak:m/z	Relative Intensity
50.11267	1.3
51.60180	1.4
57.58521	1.5
59.01381	10.8
61.98822	12.0
71.61213	1.7
75.51293	1.7
87.00887	8.4
95.62991	1.7
154.85571	2.0
189.12880	1.8
201.26344	2.0
205.15990	40.4
217.16049	2.6
249.07701	2.4
249.14978	55.3
249.18628	100.0
250.14473	24.5
250.19118	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	250.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47792	0.3
57.24849	0.3
58.02984	100.0
59.01385	6.1
65.00695	0.4
70.03011	0.4
72.00928	0.5
74.33344	0.4
78.82928	0.4
91.05530	0.6
91.97668	0.4
94.68037	0.4
108.96805	0.4
130.94409	0.9
147.04526	5.7
164.07181	51.6
204.30119	0.4
206.08258	55.9
229.12811	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0737
Annotation	Neopterin
Peak:m/z	Relative Intensity
59.01388	19.5
61.98837	0.6
76.77659	0.4
79.95735	100.0
81.68562	0.5
85.02978	0.4
89.02436	0.8
101.02460	0.7
114.38862	0.4
134.81380	0.4
144.90553	0.4
170.88376	0.5
170.91188	0.8
188.11176	6.1
192.37132	0.4
193.07182	3.5
252.07329	32.2
253.05150	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	253.2173
Annotation	Delta2-cis-Hexadecenoic Acid
Peak:m/z	Relative Intensity
54.12307	0.4
59.01383	12.2
65.23238	0.4
65.50204	0.4
73.16447	0.5
76.57539	0.5
106.82096	0.6
135.08311	0.6
141.85226	0.6
142.64452	0.5
144.65404	0.6
193.07143	2.2
202.97850	0.5
253.21727	100.0
254.22038	2.2
261.68930	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2173
Annotation	Delta2-cis-Hexadecenoic Acid
Peak:m/z	Relative Intensity
54.12307	0.4
59.01383	12.2
65.23238	0.4
65.50204	0.4
73.16447	0.5
76.57539	0.5
106.82096	0.6
135.08311	0.6
141.85226	0.6
142.64452	0.5
144.65404	0.6
193.07143	2.2
202.97850	0.5
253.21727	100.0
254.22038	2.2
261.68930	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	6.5
61.62868	0.2
61.98837	0.4
71.01395	5.3
72.99323	1.4
75.00880	100.0
81.41570	0.2
83.01388	0.3
88.04078	0.4
89.02449	6.5
101.02443	3.2
103.17760	0.3
113.01695	0.2
113.02463	1.3
119.03493	1.5
124.00765	0.7
179.05608	2.3
187.99649	0.2
213.36235	0.3
218.10280	0.3
219.10701	0.3
222.15979	0.2
255.07487	0.5
255.23325	5.4
259.74857	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04962	1.6
55.26220	1.3
59.01106	3.3
59.01389	80.5
60.76568	1.6
63.55891	1.5
67.28867	1.4
70.02974	1.6
74.66485	1.7
84.04518	1.8
100.05493	1.5
108.04562	1.8
108.71458	1.8
112.10275	1.6
116.05158	1.9
117.58196	1.6
121.78469	1.9
125.09724	23.4
133.26746	1.9
135.08167	7.5
153.09218	62.4
155.42320	1.6
157.07742	10.1
169.08757	3.5
169.53447	1.7
171.10312	10.0
197.08200	39.3
204.49127	2.0
215.09300	100.0
246.71941	1.7
256.23770	2.2
257.10370	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	257.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.0
59.01386	53.0
60.41372	0.8
61.98832	1.2
62.96058	0.9
69.33749	0.9
72.99336	1.0
74.22569	0.9
75.00861	2.4
94.70978	1.0
125.09721	24.3
125.35961	1.1
135.08177	8.4
153.09215	77.1
169.08716	6.8
171.10255	10.1
179.71582	0.9
197.08212	30.5
215.09279	100.0
256.23679	4.7
257.10324	14.4
257.24139	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	4.7
58.00605	0.3
59.01386	2.5
59.48799	0.3
69.03458	2.8
71.04997	0.5
72.99311	0.4
73.02946	0.6
75.05438	0.3
79.27425	0.4
79.95716	0.4
83.04988	0.4
85.02972	0.5
85.33920	0.3
87.99909	0.5
89.00643	1.4
90.77827	0.3
95.05033	0.6
97.06580	1.8
104.43304	0.3
107.05003	0.4
109.06581	1.7
113.06085	0.6
121.06595	0.7
123.08161	1.9
123.15440	0.3
124.35909	0.3
135.08124	0.7
137.09718	10.7
137.10760	0.6
149.09732	2.2
151.11305	2.3
153.09180	1.4
153.12836	2.6
163.11313	2.9
165.12863	4.0
167.10803	0.6
171.06693	0.4
179.10773	1.2
181.12346	7.4
181.13829	0.6
183.01248	0.4
183.13911	8.3
193.12349	2.7
195.10304	0.6
211.13420	13.8
213.11388	0.5
227.12990	0.4
239.13013	0.5
256.23633	1.1
257.04895	1.2
257.13968	100.0
258.14227	0.6
265.45850	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	3.6
59.01392	13.6
61.98830	2.4
62.47535	0.6
71.01365	0.7
73.02961	4.8
75.00863	1.2
78.84982	0.5
85.02951	0.6
99.08160	21.1
109.06590	4.9
111.08145	3.3
113.09701	2.8
120.69652	0.6
123.08183	0.8
127.07656	48.9
129.09221	21.1
139.07660	0.9
141.72208	0.7
143.10762	2.6
149.13339	0.9
154.91391	0.6
157.08646	0.8
177.16595	1.4
197.66251	0.6
211.17058	3.1
219.84515	1.0
221.15450	1.0
221.84250	2.8
239.16612	8.2
257.17606	100.0
258.18033	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82466	0.8
58.00624	1.0
59.01390	10.9
69.94554	0.8
75.00860	1.4
92.12298	1.3
99.08151	14.3
109.06560	1.0
109.39193	0.7
111.08096	0.9
111.83472	0.8
114.43024	0.7
116.92862	1.4
127.07645	24.8
128.94017	0.9
129.09229	10.5
147.86334	0.9
154.95918	1.2
155.14456	1.2
163.65242	0.8
196.92427	1.0
196.97203	0.9
211.17038	1.5
219.84586	1.6
221.84282	4.5
239.16455	7.1
257.05029	1.3
257.17587	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	258.1458
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
55.31798	0.9
56.62721	1.1
58.02980	13.5
59.01381	11.3
70.02979	11.9
73.02938	1.0
74.02460	4.6
78.95901	22.3
81.43305	1.4
83.04998	1.1
84.04543	1.3
88.04032	2.4
96.96017	3.7
96.96947	38.9
101.07198	2.2
108.04554	2.3
110.02480	15.7
111.00904	1.1
113.02441	5.7
114.09182	1.3
120.99638	1.3
127.03951	1.3
127.05108	2.8
130.08730	86.1
140.07117	1.3
141.10320	5.9
143.11882	17.1
155.11887	2.9
155.98853	1.6
171.15071	2.4
196.14630	9.8
197.12981	11.6
199.06287	2.2
205.12831	1.1
214.15639	5.6
233.18770	1.3
241.11952	6.3
246.07310	1.2
246.97308	1.1
258.14594	100.0
259.02362	5.3
259.12985	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	258.9401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22155	0.4
57.03458	0.4
59.01385	6.6
64.19847	0.4
64.34465	0.3
71.01389	0.6
71.05015	0.7
71.36909	0.3
73.02960	0.6
78.95888	0.4
85.02944	0.9
99.92563	6.6
101.02465	0.5
103.94762	0.4
112.13936	0.4
113.02454	5.1
114.93366	0.7
116.92849	100.0
117.92855	0.8
119.58411	0.4
125.02473	0.6
127.04027	0.9
146.21916	0.5
156.90852	4.2
176.98103	8.3
198.91943	3.3
199.06190	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	259.0226
Annotation	D-Glucose-6-phosphate
Peak:m/z	Relative Intensity
53.81583	0.3
62.50607	0.3
64.64034	0.3
78.95900	78.0
85.96920	0.4
93.46423	0.3
95.13150	0.3
96.96954	100.0
129.79237	0.4
138.98044	5.7
155.68666	0.3
168.99069	1.8
171.58801	0.4
199.00162	2.9
241.01244	0.8
259.02252	13.1
269.91342	0.4
272.51816	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59848	2.6
51.89754	2.7
57.03451	4.6
59.01391	89.4
64.34755	2.9
65.96416	3.7
69.03459	4.2
70.14331	2.8
71.01371	5.8
71.05012	13.5
72.00905	17.6
73.02939	15.0
78.95905	64.9
85.02938	6.3
86.02480	72.7
92.05053	70.6
96.96043	23.5
96.96961	86.0
101.02444	4.6
112.13467	3.2
113.02451	45.3
113.06035	3.8
116.05046	81.6
121.73154	3.0
125.02417	3.6
127.04006	17.1
130.08710	7.2
139.03987	3.2
139.37456	3.7
142.06601	31.9
144.08250	6.7
153.34973	3.2
161.04840	5.1
169.07681	15.7
171.09290	79.4
171.10675	5.7
198.92102	3.7
199.06085	31.4
215.08295	100.0
221.84105	10.1
223.84032	4.5
235.45686	3.1
259.02252	13.1
259.12048	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	259.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10366	0.4
53.73711	0.5
57.03427	0.8
58.02979	1.1
59.01395	5.9
64.42116	0.4
66.03552	0.4
71.01385	0.4
71.05023	4.5
73.02926	0.9
73.04076	5.4
77.06944	0.5
78.95897	3.2
85.02988	0.5
92.11849	0.6
96.96947	3.7
98.02474	8.7
99.04508	1.9
99.08114	0.6
107.15016	0.6
108.82355	0.5
113.02448	3.6
115.05152	0.5
127.03985	0.7
128.03540	0.8
130.08731	86.8
137.09752	0.8
143.10840	6.1
143.11899	100.0
144.04549	9.3
155.11896	8.0
181.12318	0.6
185.12935	5.5
187.05157	5.2
187.10907	3.2
195.13998	0.8
199.06065	1.1
208.00087	2.2
211.13496	0.6
213.14911	0.7
229.11948	66.5
230.12210	0.6
241.12109	0.8
241.14334	0.8
259.07336	5.3
259.12946	13.6
259.15527	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59853	1.2
55.01878	9.9
57.03461	10.4
58.00596	2.3
59.01110	2.9
59.01387	67.1
59.01686	2.3
64.17553	1.5
71.01382	100.0
72.99297	2.4
73.02946	26.6
73.04028	1.6
81.03313	1.3
83.00924	1.8
83.01362	10.4
85.02950	48.7
87.00878	1.9
89.02441	25.0
95.01373	12.8
96.96973	2.8
99.00856	10.5
101.02433	44.8
113.02447	42.7
114.41308	1.5
119.03500	8.2
128.03502	1.8
130.08731	1.8
143.03528	2.2
159.02988	7.5
161.04538	62.5
261.04388	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	261.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
59.01389	11.9
70.02977	8.3
72.04546	4.7
74.02473	100.0
83.39626	0.8
95.51621	0.9
96.36459	0.8
98.02477	27.3
103.53275	1.0
103.92039	1.0
116.03530	35.8
116.07181	1.7
118.89245	0.9
122.36315	0.9
128.03537	5.5
130.08740	8.5
132.04549	40.4
141.93765	0.9
144.03575	0.9
144.04536	7.0
175.00343	1.0
175.08722	1.6
201.06635	9.2
219.07787	3.5
248.42619	0.9
261.08865	25.4
261.12897	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	263.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84743	0.8
57.03454	1.1
59.01385	40.7
60.34465	0.8
69.03448	1.1
72.00910	10.4
73.02948	0.9
74.02472	22.2
82.95402	13.6
85.02940	1.4
89.02466	1.1
92.12343	1.9
93.04957	1.0
101.02447	6.4
109.01687	1.1
110.02450	5.8
116.05054	66.4
130.06610	1.4
142.06618	19.1
148.04367	5.4
149.04605	1.0
159.09294	10.6
167.00285	0.8
175.12393	1.1
186.05553	1.9
187.71648	1.0
203.08279	100.0
204.08673	1.0
221.14574	0.9
228.03371	7.1
235.34357	0.9
263.03864	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	263.129
Annotation	CHEBI:69731
Peak:m/z	Relative Intensity
53.43054	1.0
56.39764	1.1
57.03444	5.6
59.01385	15.9
71.01366	2.4
72.33816	1.2
82.23437	1.2
82.95396	5.4
83.05036	5.8
85.02878	1.6
87.89050	1.2
95.05050	1.7
97.02970	9.7
105.07103	2.7
107.05021	2.4
108.05789	5.3
109.02947	9.1
109.06599	7.1
111.04516	12.3
113.06085	8.0
119.08642	7.8
121.06551	5.6
122.03741	23.3
122.12778	1.3
123.04474	1.7
123.08146	8.7
125.06071	26.2
135.08167	5.0
136.05283	23.1
137.05182	1.3
137.06093	12.7
137.09735	1.7
138.06868	30.8
139.07648	43.4
148.05339	14.6
149.06104	5.6
151.07651	83.4
152.04774	8.5
152.08423	39.9
153.09239	14.3
159.11790	6.4
161.09738	7.9
163.07657	18.5
167.07204	1.8
171.08171	1.9
177.12828	1.4
185.09645	2.2
186.10455	1.4
188.08409	7.2
189.09244	12.7
201.12883	40.7
203.10785	45.9
204.11562	80.0
219.13910	100.0
263.12961	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	263.1401
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
59.01388	37.5
59.01687	1.4
60.17575	0.6
64.45532	0.7
71.01380	0.9
72.00908	1.4
82.95418	6.6
89.02393	0.7
90.89407	0.6
91.05550	6.4
94.06185	0.6
101.02434	4.0
109.82429	0.7
115.08766	85.3
118.06754	0.8
135.04498	1.1
143.27364	0.8
147.04524	23.1
164.07170	11.6
203.05650	1.6
219.15022	6.7
248.11479	1.0
263.14020	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	263.2019
Annotation	KDC 165
Peak:m/z	Relative Intensity
52.50394	0.4
58.32910	0.4
59.01390	6.7
63.83275	0.4
67.36725	0.4
78.21864	0.5
80.04705	0.5
82.95399	2.7
99.36248	0.6
101.02464	0.8
106.75864	0.5
127.49043	0.7
134.34554	0.5
219.21158	0.6
244.34125	0.5
245.19096	0.8
263.20172	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	265.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57845	0.7
55.24241	0.6
57.03431	4.5
58.00598	1.2
58.29227	0.7
59.01383	67.9
67.76382	0.7
71.00989	0.9
71.01379	24.7
72.99295	0.9
73.02921	1.2
83.01369	1.2
85.02467	1.5
85.02943	32.6
89.01877	1.2
89.02435	28.6
95.01390	1.9
101.02442	18.4
103.04002	44.5
103.04694	1.8
113.01690	1.1
113.02427	13.0
119.03488	12.1
122.07289	0.7
123.97875	0.8
134.04739	1.2
145.05054	0.9
150.98038	0.8
265.09290	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	265.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.1
60.71893	0.9
61.98832	14.1
65.23376	0.9
67.45511	1.3
71.02509	1.0
72.00910	4.7
73.04069	100.0
84.95131	2.1
89.79606	1.0
91.05527	4.6
95.86523	1.0
103.04017	1.3
116.07143	2.2
118.87993	0.9
147.04533	28.6
164.07170	53.1
185.16608	1.2
186.65527	1.0
191.49974	1.0
205.15962	1.2
221.07196	2.4
221.09338	65.0
229.15613	9.5
265.09204	2.5
265.11945	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1811
Annotation	tetranor-12(S)-HETE
Peak:m/z	Relative Intensity
54.82378	0.6
59.01387	6.8
61.98828	1.1
64.34008	0.6
70.21003	0.6
71.01376	0.6
78.95902	1.4
81.03458	2.4
82.95425	1.3
84.95119	3.6
96.95977	0.9
101.02414	2.7
134.04724	0.8
138.09958	0.8
149.09727	1.5
151.11330	1.0
153.12813	3.7
165.12700	0.7
191.14336	0.9
197.11795	1.4
205.16008	3.6
214.59665	0.8
219.17529	0.9
221.19151	4.6
246.03899	0.8
247.17058	3.9
261.76669	0.7
265.18106	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	265.2175
Annotation	(7S)-Hydroprene
Peak:m/z	Relative Intensity
51.20617	0.7
59.01373	1.1
62.08735	0.7
72.58056	0.8
120.71668	0.8
124.14474	0.9
194.59207	0.8
214.75533	1.1
224.82721	0.9
265.21735	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	265.2176
Annotation	(7S)-Hydroprene
Peak:m/z	Relative Intensity
54.31041	0.7
58.41368	0.7
59.01376	3.7
61.98819	1.9
71.35881	0.7
76.71599	0.8
82.95413	1.4
84.95117	1.9
96.96008	4.2
101.02430	2.0
102.31615	1.0
116.92862	3.4
205.15930	1.9
241.34169	0.9
265.21744	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	266.0896
Annotation	Adenosine
Peak:m/z	Relative Intensity
52.83437	0.1
59.01372	0.8
60.16658	0.1
61.98831	0.3
62.20790	0.1
64.34365	0.1
82.28690	0.2
87.00891	1.0
89.02475	0.1
92.02542	1.5
92.12418	0.1
107.03639	6.1
121.50240	0.1
134.04732	100.0
135.04420	0.2
135.58492	0.1
189.06703	0.2
223.05383	0.2
266.08984	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0662
Annotation	Dorstegin
Peak:m/z	Relative Intensity
59.01387	90.7
73.02934	1.6
84.95119	1.9
85.02981	1.6
87.00867	24.3
97.36135	1.7
103.60309	1.4
121.02972	2.9
177.05403	1.5
197.06085	100.0
223.07669	2.3
261.58139	1.5
266.18671	2.0
267.06653	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.233
Annotation	cis-10-Heptadecenoic acid
Peak:m/z	Relative Intensity
54.82790	0.5
58.11126	0.4
74.16454	0.4
76.57803	0.4
80.45882	0.4
87.79507	0.5
128.38052	0.5
131.01886	0.5
184.49088	0.5
227.74776	0.5
267.23297	100.0
268.23846	0.5
273.88312	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.2332
Annotation	cis-10-Heptadecenoic acid
Peak:m/z	Relative Intensity
57.94699	0.4
59.01392	5.8
61.98798	0.4
71.01316	0.5
82.91068	0.4
87.00889	3.8
92.92781	0.7
116.92783	0.5
117.52474	0.4
122.60170	0.5
130.02890	0.4
164.93056	0.4
178.82080	0.4
206.17157	0.5
247.87436	0.4
267.23328	100.0
288.55991	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48980	0.3
55.01888	0.5
59.01387	10.0
60.99316	0.7
61.98826	2.1
62.74512	0.4
63.02403	2.0
64.23734	0.4
64.25393	0.5
64.25910	0.4
65.00321	0.5
65.06314	0.4
67.01894	9.2
69.03461	0.9
69.53123	0.4
71.01376	7.1
73.02949	0.7
75.00859	1.0
76.57289	0.4
81.03458	8.0
83.01368	0.7
85.02944	0.6
87.00861	2.2
88.98802	8.3
89.02438	100.0
91.01885	0.5
95.01371	7.4
96.96001	3.6
97.02938	0.5
101.02434	2.8
107.01393	9.0
108.02176	38.9
109.02983	3.2
110.09386	0.5
111.00880	8.3
112.98784	0.6
113.02438	0.9
115.00321	0.7
119.03497	1.0
123.00889	9.7
123.04514	96.6
124.01656	0.4
124.04807	0.5
125.02434	9.1
133.01436	0.6
133.02934	4.9
134.03726	5.8
135.04500	0.8
136.42975	0.4
137.02440	7.0
138.03186	2.9
139.00380	7.1
142.98557	0.5
149.04590	0.7
151.00377	0.7
151.03964	0.8
159.04521	1.0
161.04608	0.6
167.03499	1.1
179.05611	2.4
182.05913	1.8
183.04547	0.9
189.07823	0.5
201.05640	0.5
224.04834	0.6
241.07201	3.3
269.04492	37.7
269.06775	3.9
270.04831	0.8
286.93414	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	6.5
61.98838	33.4
62.56999	0.4
71.01382	6.4
72.99316	0.3
77.89341	0.3
84.55506	0.2
85.02975	0.3
87.00880	0.7
88.04042	0.6
88.98802	4.2
89.02444	100.0
96.95992	0.4
99.39934	0.3
100.76852	0.3
101.02448	1.8
108.55708	0.3
113.02464	0.7
115.00337	1.2
119.03512	0.4
133.01474	1.7
158.27724	0.3
161.04536	0.3
179.05574	2.6
185.72697	0.3
248.09654	0.3
269.04514	0.7
276.45380	0.3
281.38034	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.155
Annotation	Hexestrol
Peak:m/z	Relative Intensity
53.64844	0.2
63.37109	0.2
75.00839	0.2
85.06577	1.5
89.02433	0.3
93.91331	0.2
97.06583	0.5
100.00372	0.2
133.02925	0.4
143.59929	0.2
157.06601	0.3
159.04552	0.3
170.07382	0.8
171.08168	77.2
172.08385	0.3
173.09734	7.2
173.48932	0.2
183.08134	0.4
184.08978	0.8
199.11330	0.3
211.07607	0.3
213.12897	0.8
239.11046	0.3
253.12448	0.3
254.13158	0.4
269.04578	4.3
269.15503	100.0
270.15884	1.3
284.17474	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.0985
Annotation	(S)-Tetraphyllin A
Peak:m/z	Relative Intensity
58.00605	1.2
59.01389	35.2
61.60889	0.5
61.98822	2.9
65.41654	0.5
69.03475	1.0
71.01393	41.1
72.99306	1.3
73.02930	1.2
83.59453	0.7
84.69403	0.6
89.02454	8.9
92.05064	43.2
94.02905	0.6
97.02940	1.3
101.02420	1.0
104.59883	0.8
106.06615	1.2
111.86253	0.7
111.97829	0.7
116.05060	9.0
118.06631	14.8
120.04517	1.5
130.06712	0.9
132.07190	1.2
132.08180	34.7
134.06119	11.7
136.04022	1.5
145.89796	0.7
146.06158	2.9
158.06163	1.3
160.07680	28.4
162.05667	0.8
164.07153	1.1
176.01169	4.0
176.07130	2.6
191.03488	4.3
193.54517	0.7
204.06734	1.4
226.10942	2.7
248.75291	0.8
269.04663	1.4
269.21017	0.8
270.05353	15.2
270.09845	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	270.9921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83001	0.2
53.47901	0.2
58.92879	0.3
59.01390	3.4
72.99311	0.4
85.11077	0.2
87.00863	0.3
93.08067	0.3
100.44766	0.3
104.02686	7.6
105.99892	0.3
148.01678	13.1
165.68604	0.2
167.06424	0.4
175.59471	0.3
176.01158	100.0
177.01503	0.6
179.47626	0.3
180.00827	0.3
191.03522	80.9
192.03894	0.5
200.76407	0.3
270.99261	6.9
271.15509	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1707
Annotation	beta-estradiol
Peak:m/z	Relative Intensity
50.43623	0.2
57.41318	0.2
59.01384	2.1
61.98806	0.3
62.51848	0.3
70.48766	0.3
74.73568	0.3
79.81523	0.3
91.11229	0.3
92.65905	0.3
99.45290	0.3
118.98943	0.3
170.07364	2.0
171.08147	5.1
173.09749	0.6
173.14304	0.3
183.08115	1.8
187.37471	0.3
215.14409	2.5
239.14417	4.6
255.13951	0.5
271.17044	100.0
272.17429	0.7
280.92453	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.5
74.99376	0.5
77.35086	0.2
82.66939	0.2
86.73910	0.2
87.00878	2.0
89.15269	0.2
111.00903	0.6
112.39394	0.2
114.38306	0.3
117.00423	1.2
125.00943	24.5
126.98872	55.9
141.00478	0.4
141.97571	4.7
157.03555	1.3
159.01506	1.9
168.99927	100.0
170.00027	1.2
183.01500	3.8
185.03033	1.1
211.01106	1.7
212.98834	0.4
220.28458	0.3
236.98875	0.5
254.99974	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75906	0.4
57.03446	0.5
59.01385	5.8
71.01356	0.7
71.80509	0.5
75.86433	0.5
77.10561	0.5
83.05044	0.6
87.00877	0.6
115.21329	0.6
119.05015	2.2
121.02945	100.0
122.03311	0.7
126.37327	0.6
147.04533	7.2
170.18465	0.6
191.03503	61.2
192.03847	0.7
214.20311	0.6
215.29883	0.5
227.69165	0.7
273.17206	0.8
273.20541	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.077
Annotation	Phloretin
Peak:m/z	Relative Intensity
57.03441	4.0
59.01389	5.4
65.00323	3.6
81.03453	41.7
83.01392	11.6
86.41746	0.9
93.03455	9.8
95.05051	1.2
99.04547	0.9
107.01352	3.1
107.22871	0.7
119.05017	36.6
123.04515	63.1
125.02431	15.8
149.02449	1.4
151.00385	8.1
152.22499	0.8
163.83536	0.8
165.11603	0.8
166.02711	1.3
167.03499	100.0
179.03450	6.7
189.05591	5.1
222.73520	1.0
230.13808	0.8
273.07712	63.5
273.17194	0.8
273.20712	1.0
290.01611	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82674	0.4
59.01375	1.6
62.58765	0.3
66.73945	0.4
92.11784	0.6
110.08216	0.3
110.29176	0.3
114.05595	0.4
116.05064	11.2
118.45968	0.3
122.97495	0.4
135.55467	0.3
136.51288	0.4
141.04596	30.8
142.06627	20.0
143.06213	0.4
148.01616	0.4
153.05859	24.7
154.05383	1.4
154.06570	0.8
167.06143	19.6
167.14809	0.3
168.04602	0.5
169.07718	100.0
170.06100	5.1
176.01132	2.6
181.05391	4.3
182.04900	0.6
183.05618	0.6
191.03539	1.9
192.77170	0.4
193.04118	0.6
195.05672	4.7
197.07216	43.9
201.06725	0.6
213.06720	12.1
229.09862	0.5
234.11130	0.4
241.06183	11.1
246.49489	0.4
273.08868	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	274.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71244	0.8
58.02991	71.0
59.01390	7.3
61.98828	1.4
68.99574	1.1
86.27072	0.9
92.46554	0.9
104.06777	1.0
116.07141	1.2
116.92865	24.9
127.88085	1.2
150.94827	4.7
159.90567	0.9
168.13943	100.0
172.88625	1.8
192.95885	18.5
212.12981	5.7
214.89761	1.8
274.18140	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	275.2021
Annotation	9,12-Octadecadiynoic Acid
Peak:m/z	Relative Intensity
59.01405	14.9
61.98845	2.2
68.21149	1.6
68.99579	13.7
80.07153	1.9
111.62915	1.8
112.98550	9.5
116.92854	30.4
119.94694	1.9
124.05295	1.9
128.51393	2.0
134.64273	2.0
172.88409	1.9
192.95897	9.5
214.89656	3.0
275.20181	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	276.9182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40089	0.1
54.46922	0.1
55.43252	0.1
58.01607	0.1
59.01337	0.6
64.33883	0.1
71.01322	0.1
78.95896	21.2
79.95696	0.3
93.29830	0.1
96.96004	23.0
96.96931	5.3
110.99420	0.2
128.03554	0.3
134.96080	0.3
136.94000	44.2
137.28131	0.2
137.94078	0.1
151.92732	0.2
154.95099	0.6
168.72078	0.1
170.75412	0.1
178.94925	9.9
196.97221	0.3
198.40891	0.2
198.90572	22.1
213.89493	0.1
214.93660	3.8
216.90678	100.0
217.90813	0.3
218.91061	0.2
226.04863	0.2
232.99847	0.2
234.91779	37.2
240.91628	5.8
258.92374	14.0
276.92706	1.0
276.98950	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0329
Annotation	Unknow
Peak:m/z	Relative Intensity
76.20970	0.1
78.95899	46.8
79.95766	0.1
88.31229	0.1
89.02608	0.1
96.95963	3.6
96.96954	100.0
108.10993	0.1
113.84315	0.1
130.95073	0.1
134.59158	0.2
140.47884	0.1
147.22235	0.1
233.17641	0.2
290.76126	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	277.0329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68433	0.2
62.96424	0.3
66.78482	0.3
74.53970	0.2
76.17876	0.3
78.95901	52.0
79.95740	0.3
89.42067	0.3
96.96033	16.3
96.96954	100.0
111.53302	0.3
112.43262	0.3
116.24757	0.3
118.51900	0.3
185.37814	0.3
198.22568	0.3
210.85054	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79918	0.4
59.01146	0.4
59.01388	6.2
59.39149	0.3
61.87942	0.3
73.03001	0.6
78.95899	0.7
85.02944	1.5
96.96001	4.2
96.96931	2.6
97.06566	1.4
102.76392	0.4
115.07644	0.5
120.99648	100.0
121.53870	0.5
127.04034	2.5
145.06915	0.6
159.06592	0.5
189.05934	0.4
191.44633	0.3
197.05457	0.4
217.07191	0.5
232.03371	0.4
277.07468	5.8
277.21713	0.8
286.09836	0.5
290.02948	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84777	0.4
54.61443	0.4
59.01389	100.0
61.98845	1.0
71.01392	0.5
73.02943	0.5
78.95904	1.6
85.02946	0.7
86.61245	0.5
89.18986	0.4
96.96002	5.3
96.96940	3.5
99.04528	0.8
109.10447	0.5
115.02565	0.4
115.04111	0.4
115.53123	0.5
127.04024	3.4
137.95682	0.4
152.91800	2.7
152.94571	0.4
188.83282	0.4
194.92915	1.7
194.95572	3.0
205.15974	9.1
277.14450	0.5
277.21802	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	277.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85563	0.4
55.38013	0.4
55.64835	0.4
59.01387	4.4
61.19342	0.4
61.98841	0.7
65.95514	0.4
70.20132	0.4
71.01373	0.4
114.39181	0.6
116.92839	0.6
127.03970	0.6
134.89494	0.7
188.99068	0.5
259.20609	0.5
275.20160	0.5
277.21729	100.0
278.22052	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17147	0.6
59.01392	0.7
59.42492	0.7
59.73559	0.6
75.21798	0.6
75.72733	0.6
86.94172	0.8
141.09276	0.8
238.84561	0.7
269.18393	0.9
277.21741	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	278.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62513	2.4
58.02987	22.5
59.01391	30.5
61.98835	11.8
63.90884	2.5
65.92514	2.5
70.02982	3.1
71.01389	11.9
71.02503	28.5
72.00918	6.1
74.13166	2.7
74.81648	2.7
77.63205	2.9
78.95920	24.3
85.02986	4.3
91.05539	3.7
94.04717	3.4
96.96026	44.1
96.96967	47.2
97.95979	4.0
98.02454	25.2
98.95589	5.4
99.04549	3.4
108.67781	3.2
113.03558	22.7
116.07169	21.8
116.92841	3.6
117.05527	5.0
118.06631	22.9
126.04356	12.5
128.04353	4.0
130.06224	14.5
144.92737	3.2
147.04530	43.4
148.07607	3.8
164.07185	100.0
175.08742	33.9
195.70351	2.7
200.07198	3.0
216.11308	3.5
217.09869	11.9
261.08774	26.7
273.67770	3.0
277.21118	3.3
278.11508	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12788	0.4
58.13354	0.3
67.99027	0.3
71.01384	23.8
72.99303	4.3
87.00869	0.5
89.02429	3.1
92.12408	0.9
92.28349	0.4
105.09452	0.5
114.99187	0.5
115.00371	54.2
119.05023	51.7
133.01431	100.0
163.04019	29.9
163.05392	1.0
167.77754	0.5
209.61325	0.4
220.66103	0.4
279.23315	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	279.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.9
71.01389	21.7
72.99313	4.7
80.33510	0.4
87.00904	0.9
89.02428	2.4
92.11739	0.4
115.00376	53.2
116.17347	0.4
119.05026	49.3
133.01430	100.0
163.04015	29.9
164.31638	0.4
175.09131	0.4
177.09203	0.4
227.82465	0.4
247.49350	0.4
279.23370	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	279.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	7.9
66.04971	1.0
70.02960	1.0
72.00911	11.9
72.99314	1.2
74.02481	3.7
75.00868	100.0
79.84497	1.0
80.26538	1.0
82.03008	1.7
87.05634	2.0
91.05524	5.8
95.02509	1.2
98.95571	2.0
99.00891	1.1
108.25542	1.0
109.01688	6.8
109.32687	1.0
110.02431	3.5
112.05140	1.0
113.03567	15.0
116.05062	4.4
118.06614	5.3
125.03551	1.1
126.04344	46.3
129.05568	1.5
134.04742	1.6
147.04529	34.8
147.18970	1.2
148.07706	8.8
160.02681	4.5
164.07176	60.0
164.08574	1.9
174.05663	1.0
174.09238	1.9
175.08754	13.2
183.06914	1.3
199.08778	4.0
200.07153	8.2
203.08171	7.2
217.09801	15.2
224.78906	1.1
243.03069	1.0
244.06152	6.8
261.08801	26.9
279.23297	29.5
279.26047	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	279.1604
Annotation	brefeldin A
Peak:m/z	Relative Intensity
58.66094	0.4
59.01372	3.3
59.09813	0.5
61.98825	1.3
68.70339	0.5
75.00870	2.1
96.95975	1.2
118.91541	0.6
184.44923	0.6
199.17087	0.6
219.05167	1.2
219.84544	1.1
279.16049	100.0
279.23282	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.233
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
51.16410	0.4
66.91321	0.5
95.50980	0.5
100.82609	0.4
119.34734	0.4
120.07751	0.4
178.56311	0.4
200.92004	0.5
214.28665	0.5
279.23288	100.0
296.36591	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.3
61.93262	1.0
66.66145	1.1
70.02975	1.9
71.01386	13.0
72.00916	16.8
72.45403	1.0
76.57490	1.2
82.02971	2.3
85.01660	1.2
88.04029	2.6
91.05513	12.7
92.19203	1.2
96.00924	5.7
99.00861	7.0
109.01687	87.2
114.01962	5.1
115.00358	15.7
116.00706	7.2
118.06614	22.7
119.05008	8.3
120.05345	9.0
133.01414	23.8
134.01765	11.6
147.04517	47.4
147.08171	1.9
148.07693	3.1
153.49040	1.4
163.04024	2.1
164.04367	6.2
164.07161	100.0
174.09264	6.5
176.07167	29.1
186.26933	1.3
190.64336	1.3
200.07175	7.1
214.57195	1.4
218.08305	2.1
244.06145	64.9
262.07147	20.9
279.23380	8.1
280.08276	5.5
280.23636	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	281.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67742	0.3
53.30216	0.3
54.35719	0.3
54.71245	0.3
58.14473	0.3
59.01389	42.4
61.67374	0.3
61.98837	100.0
64.94358	0.3
69.36383	0.3
71.01391	3.7
71.58517	0.3
73.02942	3.1
85.02975	1.2
88.04062	1.9
89.02441	2.1
95.56320	0.3
101.02435	7.5
101.03056	0.4
113.02511	0.8
119.03499	0.5
119.71545	0.3
126.00452	0.3
130.08804	0.5
146.08257	0.7
161.04558	0.7
218.10316	2.9
221.06731	0.6
280.23654	0.4
281.11420	0.4
281.24915	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	281.1184
Annotation	Juncunone
Peak:m/z	Relative Intensity
56.91278	0.4
57.03474	0.5
59.01389	92.4
71.01392	5.1
73.02956	2.8
80.62536	0.5
83.01408	0.8
85.02975	2.8
87.00871	1.8
89.02442	2.4
101.02425	6.7
110.27682	0.6
113.02486	4.2
116.92898	0.5
123.49603	0.5
129.01939	0.8
131.03522	1.0
131.26459	0.6
161.04584	1.1
177.62111	0.5
213.60146	0.6
221.06728	5.6
221.10425	2.3
223.07671	64.8
224.08365	2.0
237.09232	2.1
238.10027	1.1
251.07153	6.1
265.08591	0.6
266.09503	100.0
267.09897	0.7
270.99805	0.6
280.23633	3.0
281.11847	51.0
281.24875	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1394
Annotation	Carolenalol
Peak:m/z	Relative Intensity
54.04581	1.4
55.01879	1.8
56.92098	1.2
57.03453	18.5
59.01102	2.4
59.01381	42.1
61.58276	1.2
61.74875	1.4
65.03952	2.9
71.01344	2.4
72.91660	1.3
76.41380	1.3
80.88611	1.3
83.05015	17.5
87.00863	19.9
93.03464	1.6
95.05030	2.0
109.01681	2.4
111.04520	6.1
111.08138	3.3
119.08640	2.6
119.72943	1.5
121.06603	11.7
121.07328	1.4
123.08141	33.1
124.05280	3.2
125.09597	1.6
129.07089	2.6
137.06087	2.0
137.09723	2.8
139.07635	8.2
145.10191	5.9
151.07642	2.6
153.09210	3.4
165.07495	1.7
169.10181	5.4
171.11804	41.8
178.14029	1.5
187.11307	1.4
189.12897	15.2
201.12845	15.2
207.13921	10.1
209.17891	1.7
219.13939	6.1
237.14964	45.4
280.23792	2.2
281.13934	100.0
281.24789	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	281.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04937	0.2
57.03466	1.9
59.01384	100.0
59.82969	0.2
61.98830	0.3
62.05378	0.2
64.35076	0.3
71.01383	2.4
72.99303	0.3
73.02945	1.0
73.13646	0.3
75.81231	0.3
83.05031	1.2
85.02959	1.0
87.00877	0.5
87.04505	1.8
89.02459	0.5
95.05051	0.3
97.06606	0.6
101.02441	3.5
108.02203	1.1
111.31484	0.2
113.02463	1.2
119.03546	0.3
123.04546	0.4
129.01947	0.2
137.09731	0.4
148.62621	0.2
161.09767	1.2
165.09222	0.4
170.05862	1.1
179.10799	1.3
191.07294	0.6
195.13913	0.3
203.10858	0.3
206.09537	3.1
208.71550	0.2
221.06648	2.2
221.11861	8.6
237.14973	2.0
280.23608	0.9
281.14066	0.4
281.24863	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	281.1395
Annotation	Carolenalol
Peak:m/z	Relative Intensity
55.01859	1.4
57.03456	10.1
59.01387	97.4
69.03465	1.7
71.01385	9.2
73.02934	4.5
73.10356	0.9
79.05498	1.2
83.01375	1.6
83.05023	8.7
85.02932	2.3
87.00881	1.6
89.02455	1.4
93.03454	1.1
95.05033	9.9
97.02961	1.8
97.06580	2.2
101.02415	8.4
107.05014	1.9
109.02962	1.2
109.06573	2.3
111.04524	1.9
111.08146	5.1
113.02498	4.0
113.06070	1.7
119.08637	5.8
121.06587	5.7
122.03703	4.7
123.08167	4.1
124.05289	17.6
125.06055	1.7
129.07100	5.7
135.08218	1.7
137.06078	4.6
137.09695	2.5
139.07655	34.9
143.08643	1.5
149.09596	1.4
151.07729	1.4
152.56201	1.0
159.11681	1.1
163.07629	1.4
169.10233	6.2
171.11800	86.4
174.10468	1.1
175.11311	2.2
187.11285	16.8
189.12857	23.1
201.12794	11.8
207.13951	10.9
215.10741	1.7
217.12378	5.0
219.13963	2.6
221.06679	7.4
221.10245	1.6
237.14969	34.8
246.72330	1.0
274.50598	1.2
280.23569	4.2
281.13953	100.0
281.24847	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2487
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
50.91714	0.3
51.46384	0.3
60.69072	0.4
61.76277	0.3
61.83555	0.3
72.96622	0.4
93.68490	0.4
96.75418	0.4
104.94133	0.4
105.11199	0.4
281.24875	100.0
286.91702	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0845
Annotation	Guanosine
Peak:m/z	Relative Intensity
59.01379	4.2
61.98816	1.6
66.00951	0.5
71.01360	0.7
73.02928	0.7
75.67554	0.3
82.04101	1.4
89.02430	0.8
97.88049	0.4
99.87722	0.4
101.02431	2.1
102.02808	0.8
107.03634	3.8
108.02025	7.4
113.22218	0.3
117.65177	0.3
126.03080	8.6
133.01552	35.1
148.43900	0.3
150.04210	100.0
151.02647	0.4
170.36868	0.4
189.09926	0.4
281.24854	1.6
282.08438	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	282.1249
Annotation	8-Hydroxyergine
Peak:m/z	Relative Intensity
59.01387	50.1
60.01732	2.9
61.98831	2.0
64.78999	1.8
66.86409	1.8
85.02946	2.6
88.03271	2.1
93.74651	2.3
101.02435	2.2
105.37787	2.1
122.90556	2.1
128.05045	14.1
130.06628	22.5
132.04544	4.2
142.06590	3.5
154.06660	3.3
156.08194	100.0
156.09412	4.3
157.05313	16.8
158.06116	33.1
161.04572	2.0
163.99846	2.0
172.04031	3.4
184.07658	31.3
193.07625	2.3
201.02568	13.4
211.12393	9.1
212.10858	4.7
218.77631	2.2
221.10745	2.5
236.08398	2.4
239.11900	68.4
240.04329	8.6
240.25362	2.3
255.11525	2.8
268.03888	18.1
268.06335	2.0
278.91608	2.3
281.24802	38.8
282.12476	78.7
282.15436	3.4
282.25168	33.0
283.06070	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	283.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28427	0.3
59.01390	100.0
60.01752	0.4
61.21518	0.3
61.98839	1.5
71.71735	0.3
72.70199	0.2
82.69556	0.4
82.94076	0.4
89.02435	0.7
89.06479	0.3
100.46393	0.3
103.03972	0.5
116.92860	0.4
117.00449	0.4
139.94211	0.7
140.94249	0.4
149.70773	0.3
157.03596	3.8
159.01494	6.6
201.02571	68.1
268.03741	1.4
282.25153	1.6
283.06100	0.5
283.26398	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11704	7.3
51.39538	7.8
51.74743	9.5
59.01390	75.0
69.05042	8.0
69.10168	8.4
72.92936	9.4
87.00893	10.0
89.20392	10.4
95.28211	11.7
98.34527	9.8
103.03929	11.4
133.09070	10.6
135.68904	9.7
160.01614	11.0
203.10809	43.7
209.11809	23.2
221.11844	85.8
234.99200	11.8
235.01511	9.8
235.09598	12.5
239.12976	14.1
253.10829	49.5
268.03702	16.7
283.06253	16.0
283.11832	100.0
283.26395	85.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1188
Annotation	Clonostachydiol
Peak:m/z	Relative Intensity
53.02581	1.3
59.01114	1.4
59.01389	35.5
61.98825	1.7
66.45004	1.6
67.82655	1.6
71.98481	1.4
74.67185	1.4
76.08615	1.4
87.58499	1.5
89.02473	2.1
97.02948	1.7
103.00379	2.6
103.51118	1.3
114.66876	1.5
118.97340	1.3
121.02921	3.2
121.74192	1.4
123.08133	2.9
135.04500	3.7
135.08131	6.2
137.09709	2.2
137.80141	1.4
146.97809	1.6
159.08177	2.8
161.09807	2.4
163.11330	19.8
165.05737	1.5
165.07495	1.4
165.09180	3.3
165.12805	2.2
167.22975	1.4
173.09714	7.3
175.07570	1.5
175.11316	20.6
176.08415	8.2
177.09215	27.0
181.12181	1.8
185.09650	2.4
191.10764	40.5
193.08809	1.6
201.02574	5.6
203.10800	74.0
209.11887	17.2
221.11845	100.0
223.14369	1.5
224.26096	1.7
235.09738	22.5
239.12839	12.2
240.04262	3.1
247.09804	3.8
253.10854	46.5
265.10934	14.7
268.03830	3.8
282.25238	3.6
283.11877	98.5
283.26413	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1341
Annotation	1,3-Di-O-[2',2'-di-(p-phenylene) isopropylidene] glycerol
Peak:m/z	Relative Intensity
56.38614	0.2
59.01382	1.6
59.01629	0.2
61.38039	0.2
85.82932	0.2
95.06934	0.2
98.00832	0.2
133.89209	0.2
185.06009	0.3
201.02592	0.9
210.06830	0.4
211.07686	0.8
212.08435	3.1
213.09293	1.2
224.08530	0.3
225.09236	11.3
226.10040	1.0
238.06389	1.2
239.07072	0.4
239.10765	5.4
240.04253	0.4
240.07935	1.3
240.11571	1.7
252.07945	2.0
253.08723	27.9
267.10291	12.6
268.11081	100.0
269.11359	0.5
283.13431	99.0
283.26447	1.3
284.13760	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04335	0.2
57.03477	0.2
58.24903	0.2
59.01388	100.0
60.01725	0.2
61.98837	2.3
62.62319	0.2
63.02095	0.2
85.06598	0.2
102.98621	0.4
103.03988	0.4
103.16930	0.2
109.01713	0.3
111.00890	0.3
114.38186	0.2
135.00803	0.3
141.09242	0.5
161.09773	0.2
205.44078	0.2
209.15628	0.3
239.16643	0.5
246.98848	0.9
264.99997	0.3
268.03848	0.3
282.25305	0.3
283.15607	1.1
283.26382	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	283.1706
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
54.69674	0.2
59.01382	1.8
63.67026	0.2
74.53017	0.2
83.35303	0.2
89.61162	0.2
106.04243	0.3
107.05030	95.8
108.05379	0.8
123.04566	0.3
163.11292	100.0
164.11604	0.9
198.07465	0.2
201.02541	0.8
243.57071	0.2
269.60968	0.2
273.97372	0.2
283.17068	64.0
283.26291	4.2
284.17422	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2281
Annotation	Muricatacin
Peak:m/z	Relative Intensity
50.42126	0.7
57.31931	0.7
59.01385	8.2
61.98832	1.8
71.05021	15.3
83.05020	3.9
92.11663	1.6
103.00383	1.2
139.95271	0.8
193.48370	0.9
204.14244	1.1
211.20622	1.3
237.22285	4.4
239.23862	29.7
240.04320	1.5
265.21732	7.1
268.03769	4.1
283.06216	4.6
283.22815	74.7
283.26431	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	284.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55298	0.8
54.32926	1.2
54.82335	1.0
59.01394	22.7
60.01699	1.2
61.01822	4.6
61.98845	100.0
65.80514	0.9
71.74699	0.9
88.04043	1.7
101.02500	1.0
103.03990	1.6
104.03532	5.2
114.05606	5.2
122.02471	1.2
132.03015	4.9
170.00906	1.3
191.94699	0.9
194.08324	1.1
206.01399	1.0
220.71584	1.0
269.04147	2.3
283.26324	2.1
284.07224	13.8
284.16223	2.1
284.26886	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	285.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98982	0.3
55.01871	0.6
57.03463	0.7
58.00602	2.6
58.69695	0.5
59.01388	100.0
61.98867	0.4
66.65093	0.4
71.01384	41.1
72.99316	2.8
83.01384	0.7
83.05042	0.9
83.74059	0.5
85.02946	8.9
87.00875	0.7
89.02441	56.0
95.01402	2.0
97.02921	0.5
101.02441	13.3
102.43773	0.5
112.41109	0.4
113.02446	15.2
113.03231	0.5
119.03495	16.0
119.05029	1.9
120.99683	2.8
131.03537	1.7
143.03554	2.8
149.04555	1.1
161.04591	3.2
179.05617	12.3
225.16171	1.0
285.09909	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1498
Annotation	16beta-Hydroxyestrone
Peak:m/z	Relative Intensity
57.03460	0.3
58.28511	0.2
59.01387	7.3
59.35200	0.2
61.98814	0.6
68.35972	0.3
71.05019	0.3
78.95901	0.6
79.52251	0.3
84.99102	0.2
92.64743	0.3
105.01909	0.5
113.06092	3.3
115.98325	0.3
121.82689	0.3
170.07385	4.2
171.08157	58.0
174.99319	0.6
176.51923	0.3
184.08925	0.7
185.06105	1.4
185.09709	4.3
197.09637	2.9
198.06923	1.4
199.07623	0.4
202.94208	0.3
202.98787	0.4
203.02425	1.4
211.11322	7.0
212.12102	0.5
213.12891	5.1
255.10202	0.4
270.12601	0.4
284.26822	0.4
285.14984	100.0
285.20605	4.1
286.15240	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1498
Annotation	TBS-Corey Lactone Aldehyde
Peak:m/z	Relative Intensity
50.01265	0.1
56.26752	0.1
56.50410	0.1
59.01374	0.6
62.85405	0.1
66.38905	0.1
68.57484	0.1
71.04794	0.1
78.95899	0.7
172.05272	0.2
173.06071	1.4
185.06032	1.2
186.06862	2.4
187.07634	3.2
199.07652	3.1
206.05852	0.2
213.09216	0.4
214.10013	0.5
215.10844	1.0
227.07080	0.2
234.82661	0.1
241.08760	1.4
241.12476	0.1
254.09532	0.4
255.10271	2.3
269.09021	0.2
269.11853	4.4
269.45361	0.1
270.12698	0.6
285.14987	100.0
286.15369	1.4
295.99442	0.1
302.11377	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	285.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82722	0.2
57.18688	0.2
57.73219	0.2
59.01396	100.0
59.07635	0.2
63.86986	0.2
67.51483	0.2
77.30563	0.2
83.05044	0.3
87.00877	0.4
92.11735	0.2
95.02525	0.3
104.83640	0.2
105.01959	0.9
265.96136	0.2
285.13440	0.3
285.16934	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.171
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49073	0.2
59.01386	100.0
61.98845	0.5
70.01035	0.2
87.00873	0.3
95.02526	0.4
101.99541	0.3
105.01917	0.5
114.50471	0.3
137.46037	0.2
160.45856	0.3
216.84430	0.3
223.07748	0.3
285.13455	0.3
309.54385	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.9869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74825	0.4
59.01386	5.7
61.98817	0.5
64.53612	0.4
69.03452	0.7
71.01360	2.1
76.22829	0.5
87.00887	0.5
89.02428	0.7
93.28189	0.5
97.02902	0.5
98.35799	0.5
101.02448	0.5
105.09145	0.5
106.64083	0.6
107.05007	0.9
108.02135	0.8
120.62857	0.4
121.06591	0.6
123.00880	2.2
125.02451	0.9
125.06091	0.7
130.08707	0.8
137.02448	0.6
149.06100	1.2
164.01170	2.4
185.16574	0.6
186.07623	0.5
192.00650	100.0
197.25728	0.5
207.02992	82.2
286.98627	7.8
287.14935	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.9869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74825	0.4
59.01386	5.7
61.98817	0.5
64.53612	0.4
69.03452	0.7
71.01360	2.1
76.22829	0.5
87.00887	0.5
89.02428	0.7
93.28189	0.5
97.02902	0.5
98.35799	0.5
101.02448	0.5
105.09145	0.5
106.64083	0.6
107.05007	0.9
108.02135	0.8
120.62857	0.4
121.06591	0.6
123.00880	2.2
125.02451	0.9
125.06091	0.7
130.08707	0.8
137.02448	0.6
149.06100	1.2
164.01170	2.4
185.16574	0.6
186.07623	0.5
192.00650	100.0
197.25728	0.5
207.02992	82.2
286.98627	7.8
287.14935	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0564
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
53.24508	0.7
57.03457	16.5
57.32910	0.7
58.59349	0.7
59.01387	15.3
63.02393	6.1
65.00328	9.5
73.92693	0.8
81.03432	3.3
83.01389	11.6
86.97495	0.7
92.12369	1.2
93.03423	1.6
95.01364	1.0
97.02934	0.8
107.01394	7.3
107.05058	1.0
109.02956	3.8
111.00925	0.8
121.02862	1.3
123.04498	2.0
124.01639	3.7
125.02437	100.0
131.05002	1.6
133.02954	3.2
134.03716	1.9
135.04491	3.5
151.00401	12.9
152.01128	9.6
153.01921	1.5
157.06554	1.9
158.03714	1.0
159.04500	1.5
169.01453	1.9
173.06056	5.5
175.04109	1.1
177.05573	18.8
178.99852	4.1
191.43121	0.8
195.82002	0.8
199.07719	1.3
201.05614	8.7
203.03574	0.8
213.05643	3.3
214.41953	0.9
215.07109	6.2
221.27351	0.9
225.05765	1.0
227.12953	2.0
241.05025	1.9
243.06651	13.6
258.39359	0.9
259.06113	63.8
269.04486	3.3
287.05606	47.0
287.18677	2.9
289.26703	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68981	11.8
59.01385	100.0
60.21902	10.9
61.98829	14.6
63.80857	10.5
66.01684	10.6
66.87457	11.6
69.03445	12.6
78.95884	18.3
85.02935	14.5
96.91901	13.4
96.96972	29.6
101.02413	11.6
113.02431	18.2
123.04494	14.1
125.02433	91.8
139.04039	13.4
143.04544	19.3
163.12814	12.3
167.03537	14.9
167.07173	52.1
180.04745	12.7
180.73492	12.2
208.15964	11.7
263.45291	12.2
286.72412	19.7
287.09039	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68981	11.8
59.01385	100.0
60.21902	10.9
61.98829	14.6
63.80857	10.5
66.01684	10.6
66.87457	11.6
69.03445	12.6
78.95884	18.3
85.02935	14.5
96.91901	13.4
96.96972	29.6
101.02413	11.6
113.02431	18.2
123.04494	14.1
125.02433	91.8
139.04039	13.4
143.04544	19.3
163.12814	12.3
167.03537	14.9
167.07173	52.1
180.04745	12.7
180.73492	12.2
208.15964	11.7
263.45291	12.2
286.72412	19.7
287.09039	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.0
61.98824	0.2
64.62400	0.1
68.99095	0.1
125.02467	0.2
173.06042	0.9
185.06088	1.0
186.06848	2.1
187.07660	0.1
199.07655	6.7
203.07138	0.1
218.05891	0.5
248.10687	0.1
255.13925	10.6
257.11832	0.5
269.15457	0.2
271.13245	0.9
287.16562	100.0
288.16946	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.9
75.57937	0.1
83.10114	0.1
92.65364	0.1
97.37463	0.1
101.19381	0.1
109.44833	0.1
121.02939	2.3
125.02407	0.1
147.04535	0.2
173.06071	1.0
185.06017	0.8
186.06900	2.1
191.03529	1.2
191.81392	0.1
199.07661	5.8
200.08545	0.1
218.05904	0.7
255.13925	9.3
257.11838	0.3
269.15594	0.7
271.13525	0.9
272.14200	0.2
287.16565	100.0
288.16953	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1655
Annotation	4-hydroxyestradiol
Peak:m/z	Relative Intensity
54.13508	1.3
54.52833	1.3
58.03334	1.7
59.01385	13.6
61.98823	1.7
70.54260	1.3
73.41240	1.5
92.65641	1.8
101.07726	1.3
122.48781	1.5
125.02494	2.2
255.84706	1.8
271.13446	6.2
272.14246	8.5
287.16583	100.0
304.13406	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	288.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82576	0.1
54.86550	0.1
59.01388	1.0
61.01844	0.1
61.98834	100.0
62.34100	0.1
69.46686	0.1
164.52963	0.1
202.07352	0.1
202.98846	0.1
227.71503	0.2
256.25925	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1605
Annotation	Mesembrine
Peak:m/z	Relative Intensity
51.47157	0.2
53.49799	0.3
54.46374	0.2
59.01379	1.7
66.71492	0.3
81.03453	0.8
88.67692	0.3
92.05012	0.4
92.11778	0.5
93.03445	1.3
108.03903	0.4
108.04538	3.2
109.02963	4.0
124.01672	0.5
133.01706	0.4
134.02481	56.6
135.03278	10.4
136.04039	41.5
137.02440	2.1
148.04019	1.5
149.04814	1.8
168.04497	0.3
172.57433	0.4
176.03554	5.9
177.04372	0.7
190.05026	0.5
288.16086	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	289.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68735	1.0
54.22093	1.1
57.03456	11.6
62.13754	1.2
62.32314	1.2
73.67685	1.3
80.02663	1.1
81.03449	6.6
83.01369	8.2
83.01822	1.2
91.57061	1.2
92.12366	2.7
93.03445	6.8
93.92879	1.2
95.05039	12.4
97.02947	24.1
108.02167	1.5
109.02955	72.5
121.02934	10.5
122.03713	5.5
123.04521	56.2
125.02427	39.9
135.04495	6.6
137.02443	23.9
138.03252	2.3
139.03978	8.5
145.02980	2.9
146.03712	5.6
149.02458	10.6
150.03220	2.9
151.04013	21.3
159.04518	8.4
160.05295	5.1
161.06125	13.0
162.03204	3.2
163.04126	1.8
164.01105	10.6
165.01913	6.2
167.03566	2.0
175.03983	7.2
175.07634	5.7
177.05568	2.1
179.03452	10.9
184.05193	1.5
187.03998	12.7
188.04820	8.2
199.07552	1.6
201.05579	2.7
202.06346	5.0
203.07188	24.6
205.05087	15.8
212.04813	1.8
217.08620	1.5
221.08182	10.4
227.07193	2.2
245.08183	42.3
277.66519	1.3
289.07187	100.0
314.24982	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.072
Annotation	(-)-Epicatechin
Peak:m/z	Relative Intensity
57.03460	10.9
58.02980	1.5
59.01374	3.9
61.98830	2.1
67.61565	0.9
69.03446	1.9
76.56963	0.8
80.02682	1.6
81.03432	10.0
83.01375	9.9
92.11774	1.3
93.03453	5.3
95.01364	0.9
95.05022	11.8
97.02949	20.5
99.04467	1.2
108.02179	3.4
109.02946	75.4
119.08559	0.9
121.02953	8.6
121.86038	0.9
122.03751	4.6
123.04517	62.1
124.01683	1.3
125.02436	39.9
127.07630	1.3
133.02930	1.3
135.04539	5.8
137.02438	26.2
138.03212	4.1
139.03996	10.3
143.05084	1.0
145.02985	5.6
146.03737	3.8
147.04585	1.6
149.02429	12.9
150.03230	3.9
151.03999	25.8
152.52094	0.9
157.06558	1.1
159.04469	8.1
160.05273	3.9
161.02411	1.3
161.06119	11.4
162.03246	4.3
163.04021	1.4
164.01164	9.4
165.01857	7.4
167.03490	3.7
173.06065	2.0
174.03210	1.1
175.04028	5.7
175.07639	5.3
177.05515	1.7
179.03511	8.9
185.06096	2.0
187.03987	10.3
188.04823	7.8
201.05579	3.3
202.06401	5.5
203.07152	30.9
205.05070	19.2
207.08519	1.4
212.04747	1.3
217.08598	1.0
221.08241	8.8
227.07198	5.7
245.08214	40.5
245.10631	1.7
247.06198	1.9
271.06299	1.7
284.06723	1.0
289.07220	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	289.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
63.61425	14.2
71.01384	77.2
74.02475	32.3
83.86452	16.5
92.12347	19.0
94.29778	16.2
96.96954	41.5
101.44830	15.8
113.02450	19.1
120.99677	34.9
128.03519	21.6
131.24246	19.2
157.28638	18.9
158.55620	20.6
207.78058	21.6
237.31694	20.2
289.12921	21.4
289.16031	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1968
Annotation	12-OPDA
Peak:m/z	Relative Intensity
57.72340	0.3
59.01386	0.5
59.40200	0.3
75.16851	0.3
97.06572	0.8
123.04649	0.3
127.07657	0.3
148.08896	2.6
150.10493	1.3
163.11278	1.8
165.12842	22.4
176.12102	0.5
177.12814	0.5
179.14494	0.4
191.14452	0.6
247.20697	13.0
273.18597	7.4
291.19699	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	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.9
61.98829	0.6
72.27144	0.6
92.12464	1.5
93.07048	0.6
97.06592	2.3
121.10223	18.9
123.08141	1.3
125.09711	8.4
139.11340	0.6
141.12869	0.9
163.11313	0.7
182.54468	0.6
185.11829	14.9
197.11847	4.2
208.89870	0.7
209.11833	1.3
211.13402	3.0
223.13509	0.9
273.18427	0.6
291.19687	100.0
292.20187	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.0
58.81325	0.5
59.01374	2.8
71.05016	12.5
71.08133	0.5
97.06571	4.3
105.54272	0.6
107.04980	0.6
111.08183	0.8
125.09729	1.0
139.23079	0.6
165.12862	3.1
175.05577	0.6
181.12364	1.4
208.94769	0.6
217.15968	1.3
219.13945	0.9
235.16972	2.8
247.20702	1.5
273.18585	3.0
291.19678	100.0
292.20001	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1968
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
59.01391	0.6
61.77416	0.4
61.87582	0.3
61.98845	0.5
73.02943	63.4
76.15286	0.3
116.92868	0.5
121.02941	0.7
291.19687	100.0
292.20010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.083
Annotation	Megistonine II
Peak:m/z	Relative Intensity
54.98046	0.8
59.01381	5.5
71.01385	35.0
96.04536	1.4
100.06361	1.0
106.69971	1.2
114.99571	1.5
115.00375	38.1
117.03438	1.2
119.05026	22.8
121.02927	3.7
133.02965	5.4
145.02904	8.4
146.06201	1.2
146.84579	1.1
160.04005	1.2
161.06079	9.4
162.05623	2.4
171.06918	10.5
176.07178	100.0
177.05600	22.3
177.07170	1.7
186.09262	4.3
204.10333	4.9
222.16234	1.1
230.08252	13.0
248.09302	74.6
292.08316	86.3
293.08755	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	292.1195
Annotation	Chlorantene B
Peak:m/z	Relative Intensity
50.90032	0.3
51.67220	0.4
52.73383	0.4
59.01377	0.9
61.98827	0.8
62.15697	0.4
72.00910	10.7
81.03458	8.9
83.05028	37.0
85.30759	0.4
91.05537	6.6
96.08089	0.5
100.07682	7.8
106.09742	0.5
116.05061	2.5
118.06617	2.9
120.19357	0.5
127.04019	0.5
130.08713	0.6
135.04489	0.7
144.06689	3.8
147.04536	40.7
164.07187	100.0
165.07487	0.7
175.04111	0.8
204.13885	0.7
230.11861	4.6
248.12910	4.4
255.28961	0.5
274.10931	3.0
292.11945	63.9
299.37872	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1306
Annotation	Gln Phe
Peak:m/z	Relative Intensity
52.98670	1.1
58.02980	10.3
59.01392	13.9
61.98829	9.9
62.94505	1.1
68.99568	11.4
70.02962	11.7
71.01356	3.4
72.00902	1.6
73.04070	51.3
74.46598	1.4
80.65636	1.5
85.04091	2.2
88.98787	2.0
89.02438	2.4
91.05532	2.0
101.02436	1.8
106.10315	1.6
109.04053	3.1
112.98545	11.3
113.02448	2.1
126.06754	10.9
127.05134	12.8
130.05922	1.8
130.08722	14.5
133.02974	1.6
144.07794	19.8
145.19672	1.6
147.04547	21.1
156.30576	1.6
164.07173	33.0
214.17943	1.9
265.53455	1.9
275.10477	3.0
292.13071	100.0
293.07285	1.7
293.75641	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	292.1403
Annotation	CHEBI:43892
Peak:m/z	Relative Intensity
50.22563	0.2
50.89355	0.2
52.30059	0.1
53.42598	0.1
55.38047	0.1
55.55365	0.2
58.50862	0.2
59.01377	2.0
61.98819	0.3
63.11888	0.2
64.34245	0.2
64.55373	0.2
68.99568	0.4
71.01383	2.9
73.02940	1.7
85.02947	1.1
87.00832	0.3
89.02431	0.3
91.94057	0.2
94.38696	0.2
101.02440	6.3
106.49199	0.2
112.98555	0.3
113.02451	2.3
117.01943	0.3
130.08727	100.0
131.03510	0.4
131.09073	0.8
143.03505	0.3
161.04517	1.9
164.76602	0.2
167.39706	0.2
172.09851	0.2
202.10896	0.8
278.69861	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82423	0.2
54.82717	0.2
58.02975	1.1
60.69830	0.2
125.85033	0.3
129.55923	0.2
156.13937	100.0
157.14250	0.9
200.12947	1.7
297.38345	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83266	0.2
58.02967	1.3
58.11039	0.2
59.01377	1.2
64.34183	0.3
68.99569	0.3
71.01378	0.3
77.03382	0.2
77.42326	0.3
81.06931	0.2
88.05018	0.3
93.55243	0.2
112.98533	0.5
127.71165	0.3
130.69821	0.3
149.31253	0.2
156.13936	100.0
157.14285	1.2
170.19781	0.3
200.12950	3.6
210.93040	0.3
262.07462	0.3
292.19199	1.2
299.37787	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86312	0.2
56.98485	0.2
59.01370	0.3
65.00315	0.2
65.36994	0.2
65.64861	0.2
71.01389	4.2
77.03947	3.1
83.15906	0.3
89.03960	1.4
93.03467	0.3
95.05025	7.5
105.03461	25.7
115.00379	1.3
117.95354	0.3
118.27377	0.3
123.04531	3.9
132.02179	1.1
133.02962	100.0
134.03362	0.3
146.03763	0.4
151.04005	0.5
161.06091	0.5
177.01944	26.9
196.76262	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.3
61.98831	0.4
64.34940	0.2
68.99561	1.0
71.01385	6.6
77.03965	3.4
89.02456	1.9
89.03961	1.1
95.05019	7.9
99.04515	0.3
105.03455	24.5
111.08134	0.2
112.98564	0.5
115.00359	1.2
120.04539	0.4
121.03011	0.3
123.04511	3.4
125.02436	0.3
132.02180	0.9
133.02951	100.0
133.69835	0.2
135.04424	0.2
136.01613	0.3
151.04022	1.0
156.12994	0.2
161.04564	0.2
161.06123	1.0
177.01935	28.0
233.06703	0.4
254.20190	0.3
293.10474	0.3
293.21625	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30255	1.6
53.83495	1.6
53.87083	1.8
57.03447	13.0
58.02985	2.2
59.01388	27.2
65.00343	2.2
65.03961	20.3
67.01878	3.0
68.99556	7.5
69.03455	12.2
71.01378	14.9
72.00935	2.1
73.04055	14.3
76.57259	2.5
79.05518	3.0
81.03451	17.7
83.01384	38.3
83.05007	20.3
86.46171	2.0
87.00881	24.1
89.02439	4.4
93.03432	8.3
95.05009	3.9
97.02926	11.7
99.04502	10.1
107.05032	45.0
109.02955	27.1
112.98544	5.1
115.00388	3.0
115.05091	16.6
117.07085	2.3
118.14942	2.3
119.05015	12.0
120.99624	2.5
121.03011	2.1
121.06580	21.6
123.04507	9.0
124.01661	2.7
125.02441	44.8
128.03555	2.1
132.02161	3.3
133.01382	6.8
133.02954	51.2
133.06586	22.5
135.04518	5.0
135.08134	15.5
137.02446	100.0
137.09726	3.4
138.03241	23.6
143.08600	2.3
144.04605	2.1
144.05791	3.7
145.06587	8.6
146.03712	2.4
147.04593	18.3
149.02509	2.8
150.03191	5.2
151.02834	3.7
151.04013	72.8
153.09186	5.3
157.06563	3.5
159.04466	9.0
159.08165	11.0
161.02493	2.6
161.06102	13.4
163.07649	13.6
164.07188	14.1
166.02719	12.8
167.03508	69.4
171.19379	2.2
173.06108	2.9
175.07698	3.0
177.01953	10.4
177.05591	12.2
177.10278	3.2
179.07127	4.7
185.06073	4.1
187.04057	8.8
187.07648	10.8
188.04791	11.8
191.03464	3.1
201.05603	2.8
203.03714	2.1
203.07182	64.7
205.05052	16.7
205.08679	10.6
213.05583	3.4
221.08223	70.4
231.06645	37.0
234.05341	2.3
239.32649	2.1
249.07683	2.9
250.72083	2.4
257.10370	2.4
257.13940	25.1
263.10504	15.5
275.05539	3.2
293.03409	3.1
293.06705	24.7
293.11017	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1148
Annotation	gamma-GLU-PHE
Peak:m/z	Relative Intensity
52.37958	1.2
59.01387	26.2
71.01379	14.4
72.00910	8.9
72.99305	1.5
73.01180	2.1
73.04084	11.5
84.04556	2.7
85.02942	1.8
88.98814	12.3
89.02441	76.1
91.05523	16.0
98.02481	1.5
100.04070	1.6
101.02445	3.7
101.07198	22.6
101.07816	2.1
109.04088	20.4
112.98569	2.0
113.02477	3.8
116.05066	7.3
118.06645	1.8
119.03474	2.9
127.05132	67.6
127.72306	1.5
128.03511	6.6
131.07135	3.6
133.02975	2.5
142.06609	1.6
145.06250	1.7
147.04515	47.1
164.07172	100.0
164.08578	3.3
186.67163	1.4
192.31607	1.6
203.08318	14.7
205.05415	2.4
205.13507	1.8
214.08809	3.7
231.11261	2.8
249.12512	2.2
253.52797	1.5
275.10422	72.4
289.02469	1.8
293.07153	1.9
293.11523	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
58.00586	0.9
59.01385	58.1
62.01362	0.5
68.99558	0.8
71.01379	24.6
72.99301	0.9
73.02930	0.8
75.72967	0.6
75.82734	0.5
75.88525	0.6
80.18452	0.6
81.25938	0.7
83.01377	2.6
85.02933	4.6
85.06586	15.4
89.02435	22.8
95.01383	1.5
101.02422	16.1
105.03479	1.3
113.02445	9.6
113.06070	4.1
115.07648	1.3
118.37425	0.7
119.03490	8.8
127.07537	2.3
131.07129	48.7
133.02980	4.8
148.21828	0.7
173.08171	0.9
177.01984	0.8
258.82797	0.7
293.12451	100.0
294.12857	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19957	0.2
59.01396	2.1
61.98834	0.3
65.36357	0.2
68.99557	1.5
71.01358	0.3
81.03458	0.5
89.02454	0.4
91.97179	0.2
96.96005	1.1
98.62954	0.3
107.94164	0.3
112.98540	1.4
116.92888	0.3
120.04568	0.6
135.51082	0.2
138.80881	0.2
148.07780	0.2
149.09714	0.5
164.03479	0.4
168.04297	0.3
179.14476	0.4
181.15952	1.0
191.14481	0.4
193.16014	0.3
220.14752	0.5
221.15460	1.5
225.15005	1.8
228.38626	0.3
229.65492	0.3
233.06631	0.4
236.10454	0.9
249.22224	1.2
275.20273	0.6
292.19986	0.6
293.21255	100.0
294.21530	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12209	1.0
56.31196	1.1
57.03433	1.3
59.01387	5.8
66.55775	1.2
68.99586	1.9
71.05020	6.3
94.77869	1.2
96.96002	100.0
98.02198	1.2
98.41730	1.4
119.51197	1.3
127.07777	1.4
130.00505	1.4
144.43356	1.4
221.15483	1.8
223.17134	2.9
231.21379	1.9
235.17044	33.8
241.46988	1.5
269.40378	1.3
275.20212	35.3
293.17941	68.6
293.21283	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	5.3
58.75505	0.5
59.01380	2.8
61.34840	0.6
79.95706	0.7
80.04481	0.5
81.06673	0.5
92.27176	0.5
96.95997	42.4
113.09723	24.2
113.10390	0.7
139.11281	3.4
167.10777	2.6
171.10287	0.7
179.10774	2.7
195.13914	4.3
235.17072	0.8
248.22702	0.6
249.22232	3.3
275.20111	2.5
293.17941	29.2
293.21243	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75181	0.3
53.34343	0.3
57.03454	0.8
59.01377	0.8
61.98760	0.3
64.33590	0.3
79.95741	2.0
94.13799	0.4
96.96001	84.5
97.06595	0.5
123.08150	0.3
125.09712	4.9
127.11356	0.4
141.12874	1.9
149.09741	2.1
159.56833	0.4
162.16725	0.4
167.14462	0.6
179.78645	0.3
183.13928	0.5
185.11829	9.1
197.11882	3.9
203.14230	0.3
221.15428	0.7
233.06569	0.3
249.22295	0.8
275.20218	1.4
293.17987	59.4
293.21301	100.0
294.18402	0.7
294.21555	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36174	0.8
59.01382	4.9
59.28746	0.8
83.38780	0.9
99.85404	1.0
103.19453	0.9
112.75550	1.0
113.53584	1.0
121.10226	27.3
137.93057	1.1
142.55351	1.1
169.04784	1.1
171.10284	49.7
183.13910	8.3
231.21191	5.8
275.20178	100.0
285.22873	1.1
293.21249	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
57.37930	0.8
59.01382	13.5
61.98820	1.4
63.99316	0.9
66.61015	0.9
68.99565	10.9
71.01374	2.0
85.75935	0.8
89.02443	2.1
112.98570	9.8
116.92824	1.3
120.04545	4.4
151.11415	1.3
153.12810	1.4
155.14981	0.9
164.03528	2.1
169.12338	3.7
197.11830	38.4
205.12386	1.4
220.14699	4.1
221.15469	5.1
231.21097	1.2
236.10530	2.4
275.20184	40.1
293.21265	100.0
299.49142	0.9
304.08502	0.9
314.12817	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49940	0.6
57.28834	0.6
57.52685	0.7
58.95690	0.7
59.01388	8.6
61.98839	1.2
68.99552	3.8
71.01363	1.8
78.54552	0.9
89.02450	1.0
112.98558	1.8
122.94160	0.8
124.51570	0.9
151.11267	1.8
169.12314	4.2
197.11848	44.2
220.14716	1.6
221.15511	5.5
231.21252	1.1
233.06786	1.5
236.10565	1.5
275.20203	36.5
293.21262	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	293.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83689	0.5
54.31491	0.5
55.23192	0.5
59.01372	1.3
66.33065	0.5
68.99551	0.9
70.69706	0.5
83.98922	0.6
105.82071	0.7
111.08141	0.6
113.09673	0.5
116.99849	0.6
142.62395	0.5
179.14476	1.2
195.13916	13.6
196.14687	1.2
205.12372	1.4
205.15927	0.6
223.13452	12.3
228.13770	1.2
256.13126	5.1
265.21515	0.8
268.02603	0.6
275.20276	9.9
293.21265	100.0
294.21500	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
50.47500	0.4
54.55608	0.3
59.01379	2.0
67.68359	0.4
68.99565	1.0
72.99299	0.7
79.85639	0.5
83.05024	0.6
89.02443	0.5
96.95997	2.5
112.98526	0.5
120.04527	1.1
125.09692	0.9
139.11307	4.3
153.12833	2.2
183.00690	0.4
191.18034	3.8
215.30313	0.5
219.49649	0.5
221.15448	1.9
224.14151	0.6
241.31906	0.5
247.20695	2.9
293.21259	100.0
294.21667	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.249
Annotation	9(Z),11(E),13(E)-Octadecatrienoic Acid methyl ester
Peak:m/z	Relative Intensity
52.29632	0.5
57.71236	0.6
59.01373	3.5
59.48182	0.7
61.98819	3.1
68.99561	2.8
75.13768	0.5
77.62902	0.6
83.23135	0.6
84.91840	0.6
92.65343	0.8
96.95988	2.9
112.98543	2.8
116.92836	4.2
119.94684	0.8
120.04520	0.8
134.89479	0.8
182.99788	0.8
210.56903	0.6
220.14687	5.4
221.15486	8.0
236.10530	4.7
293.17972	2.6
293.24875	100.0
294.25195	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12713	0.9
55.01896	1.2
57.03456	1.1
59.01386	91.9
61.98840	10.6
71.01385	40.3
72.99305	2.3
73.02940	5.7
73.68847	1.1
76.18728	1.1
83.01404	1.7
85.02940	9.4
87.04482	2.4
89.02441	42.2
95.01354	1.2
96.95982	1.4
101.02433	25.9
113.02449	12.3
113.03575	1.7
115.00376	2.3
115.04007	100.0
119.03480	19.0
126.04422	1.5
127.78855	1.2
133.01414	1.9
133.05060	2.5
150.94379	1.4
163.04021	1.2
179.05527	1.3
180.06691	3.0
213.01552	1.4
235.08208	1.7
295.10373	71.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	1.3
57.03455	1.2
58.00600	0.8
58.93208	0.6
59.01394	100.0
61.98838	0.9
64.61665	0.7
71.01389	37.9
71.05014	0.8
72.99307	1.9
73.02947	1.7
74.35932	0.7
83.01379	1.2
85.02947	10.8
87.00854	3.0
87.04498	1.4
89.02444	40.1
95.01388	1.6
101.02441	24.4
109.01672	0.9
113.02442	14.2
113.03594	1.4
115.00359	4.0
115.04005	14.6
119.03486	17.2
126.04328	0.9
131.03517	1.0
133.05042	1.9
137.46507	0.7
143.03560	1.6
163.04030	1.2
179.05617	1.2
180.06644	4.5
191.08388	1.1
235.08179	1.5
267.20291	0.9
277.08185	1.7
295.10364	80.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68769	0.5
59.01385	33.1
71.01376	0.5
72.06668	0.4
85.02944	0.7
85.19489	0.4
86.83192	0.4
89.02433	0.5
95.76189	0.6
96.96040	0.5
100.96439	0.4
114.93348	0.6
115.00348	0.6
165.12906	0.6
183.12231	0.8
183.13896	22.5
195.13921	20.9
213.14984	100.0
214.15370	0.7
223.13269	1.9
233.11571	0.6
235.08226	0.8
235.13142	2.3
257.42688	0.5
265.10620	0.7
267.12030	0.9
277.21814	0.6
279.12134	2.0
295.10031	1.1
295.15314	11.4
295.22794	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	295.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77496	0.5
59.01387	29.2
68.99559	0.6
71.01385	1.0
82.41215	0.6
85.02949	1.4
96.95982	0.7
101.02448	1.1
108.63052	0.6
111.48419	0.6
165.12762	0.7
168.15462	0.7
183.13924	4.6
195.13919	14.0
211.13419	0.9
213.14989	100.0
233.11586	3.2
235.08191	0.9
235.13161	4.8
277.21750	0.9
279.12140	1.5
285.04129	0.7
295.15320	12.2
295.22742	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	295.1553
Annotation	LL-Z1271beta
Peak:m/z	Relative Intensity
53.28564	0.3
59.01382	6.9
60.99325	0.5
65.92982	0.4
70.54630	0.4
75.57366	0.4
88.94536	0.4
102.48277	0.5
131.12143	0.4
136.93546	0.5
200.69350	0.4
233.15485	100.0
234.15862	0.5
295.15527	39.3
295.22583	2.0
304.02817	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50297	0.6
56.85420	0.6
59.01400	6.2
79.19666	0.8
92.11742	1.2
101.02410	0.6
113.09742	2.7
138.16454	0.7
160.52292	0.7
183.13914	3.8
195.13918	20.7
217.23984	0.7
221.22922	0.8
273.34729	0.7
277.21741	21.8
277.24747	0.9
295.22821	100.0
296.22968	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02461	0.2
55.54628	0.3
57.03441	1.6
59.01387	4.7
71.01336	0.4
101.02443	0.5
113.09727	3.7
124.56828	0.4
127.11279	0.5
165.12834	0.8
167.10811	0.4
171.65372	0.3
179.14368	1.3
181.12361	0.8
219.84508	0.3
235.08286	0.4
250.64003	0.3
251.23830	0.8
264.04211	0.4
295.22815	100.0
296.23221	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
57.03439	0.7
59.01385	4.4
81.29882	0.4
93.34606	0.4
114.06321	0.5
114.38635	0.5
141.12892	0.5
141.42569	0.5
151.11325	0.9
159.58205	0.5
169.12346	2.8
172.32571	0.4
197.11833	1.6
251.23827	0.8
277.21747	11.0
295.22794	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	295.2281
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
50.39477	0.6
53.13761	0.6
58.67287	0.7
59.01395	13.0
71.01355	0.9
72.36889	0.9
111.08156	1.3
113.09719	3.5
157.07404	2.1
157.08702	61.6
195.13957	1.8
197.09746	4.4
209.15387	0.9
209.94775	0.8
235.08322	0.9
269.73172	0.9
277.21753	76.5
295.17123	7.8
295.22800	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	295.2279
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
58.86877	0.5
59.01373	2.8
59.12853	0.5
59.68903	0.4
66.03545	0.5
82.36501	0.5
92.11755	1.3
118.29853	0.5
119.89429	0.6
125.09678	0.7
141.12816	0.8
171.10262	24.0
183.10234	0.9
194.51465	0.5
195.13948	6.9
198.50815	0.6
277.21725	45.4
295.22794	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	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
59.01109	0.8
59.01390	15.0
61.98817	0.9
69.20403	0.8
71.01331	1.0
71.41476	0.8
75.64503	1.0
83.05016	0.9
92.60405	0.8
96.95998	4.2
98.95573	11.2
98.96377	1.7
101.02402	1.1
108.87439	0.8
169.90659	1.0
171.10260	34.0
195.13948	1.1
248.74922	0.8
251.06024	5.6
277.21729	58.4
279.09070	8.1
294.21237	1.4
295.17969	7.8
295.22800	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	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81413	0.4
54.82430	0.4
56.34024	0.5
57.03442	1.1
58.63819	0.4
59.01162	0.4
59.01388	7.4
61.23133	0.4
61.98817	0.6
62.39079	0.4
63.27302	0.4
64.05899	0.4
65.39304	0.4
66.20877	0.4
71.01373	0.5
77.34715	0.4
78.75270	0.4
83.05003	0.6
104.88364	0.5
114.91489	0.4
125.09671	0.8
127.11276	0.6
141.12781	0.5
154.45758	0.4
155.14410	2.8
160.74710	0.5
162.00250	0.5
166.26698	0.5
171.10271	20.4
183.10284	2.8
183.13818	1.0
195.13911	7.2
199.17059	6.6
213.18677	0.9
243.54947	0.4
251.23817	0.8
277.19388	0.9
277.21738	40.7
295.22812	100.0
296.23074	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.228
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
59.01374	2.9
62.29366	0.4
71.59953	0.4
83.05039	0.7
87.68794	0.4
90.92757	0.4
94.56403	0.4
114.93331	0.4
128.38972	0.5
141.12863	10.5
155.14412	4.2
166.47601	0.4
231.21173	0.5
249.22258	10.3
277.21631	1.1
295.22787	100.0
296.23141	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2644
Annotation	Phytomonic Acid
Peak:m/z	Relative Intensity
52.70569	0.4
61.28644	0.5
63.79279	0.6
68.37695	0.5
82.74580	0.4
97.58075	0.5
199.44351	0.7
264.01422	0.5
295.26416	100.0
296.26755	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	295.2645
Annotation	Phytomonic Acid
Peak:m/z	Relative Intensity
59.01382	1.4
61.09956	0.6
66.00344	0.5
118.39635	0.5
176.85533	0.6
188.95100	0.6
295.26443	100.0
296.26788	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0658
Annotation	Calothrixin B
Peak:m/z	Relative Intensity
50.43420	0.5
59.01385	38.0
71.01385	2.6
71.26789	0.7
73.02935	1.0
78.50435	0.6
78.95898	28.3
79.05526	1.1
90.39477	0.6
90.97116	3.7
96.95988	27.9
96.96947	52.3
98.36351	0.7
116.92826	0.9
116.98676	0.7
117.01904	1.0
132.98193	0.8
144.98187	5.0
149.02473	1.6
172.97684	3.7
179.00368	1.2
186.99263	6.2
189.00792	3.0
198.99255	13.5
201.00862	10.1
207.03430	1.4
214.39716	0.7
221.07895	1.2
228.33553	0.8
233.01434	1.1
253.03976	10.5
255.02861	1.1
255.05536	31.0
267.01877	1.4
283.63165	0.7
297.06561	100.0
297.24417	5.6
297.27216	0.6
299.04544	1.5
315.46964	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.3
59.01383	3.2
60.55828	0.2
60.59496	0.2
60.74220	0.2
61.98826	3.4
63.62015	0.2
71.01378	1.8
72.99316	0.3
73.02942	58.9
75.00854	0.3
89.01490	0.3
89.02409	2.2
99.00873	6.5
116.07161	5.8
116.92856	1.5
117.01929	100.0
117.07524	1.3
118.02332	0.3
118.05090	1.1
135.02983	0.3
143.36433	0.2
179.05545	0.3
230.31311	0.3
289.60361	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.3
58.21226	0.2
58.47219	0.2
59.01381	3.0
61.57158	0.2
61.98844	0.3
64.84286	0.2
69.03485	0.3
71.01382	0.5
73.02943	59.5
74.72923	0.2
75.00867	0.4
78.95894	0.3
89.02432	0.6
95.09963	0.2
96.96964	0.5
99.00871	7.3
116.07156	0.4
116.92837	1.8
117.01932	100.0
117.05602	1.0
118.02256	1.0
131.71448	0.3
141.78510	0.2
186.14796	0.3
232.21126	0.2
288.95520	0.2
297.24207	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62512	11.7
56.77205	12.7
59.01373	100.0
60.46328	13.2
62.91624	12.7
77.13556	18.4
94.82100	16.9
96.95958	61.6
129.56616	17.7
137.00655	35.2
165.00125	94.6
169.54918	15.8
174.77777	16.0
181.93745	17.4
297.24286	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88222	10.5
59.01406	100.0
59.38537	10.7
64.34660	9.6
64.90340	10.3
70.02969	12.2
71.01378	12.8
71.37540	10.2
96.95985	21.5
101.02425	10.3
105.05759	11.7
107.10897	12.1
116.92849	13.9
132.20091	10.7
233.70885	15.5
297.24368	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1134
Annotation	Magnolignan E
Peak:m/z	Relative Intensity
52.89289	0.2
54.82106	0.2
58.52021	0.2
59.01368	0.6
70.76312	0.2
82.60754	0.2
91.01144	0.2
95.84492	0.2
96.22847	0.2
116.92834	0.3
121.88376	0.2
164.00298	0.2
178.77451	0.3
191.83105	0.2
201.91644	0.3
213.05495	0.4
223.04056	0.3
224.04768	5.0
225.05600	1.3
226.06389	0.5
239.07146	8.9
252.04326	3.7
267.06641	100.0
268.06900	0.4
276.44620	0.2
282.08990	63.3
283.09393	0.4
297.11349	38.5
297.24356	1.1
299.34100	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1344
Annotation	Pseudoanisatin
Peak:m/z	Relative Intensity
53.11599	2.5
57.03450	67.8
59.01387	31.8
71.05016	5.8
79.05536	4.0
81.03451	15.4
83.05038	32.6
85.02940	19.4
87.04493	11.6
89.95705	3.2
92.12377	3.3
95.05007	41.8
99.04497	24.0
107.05027	16.7
109.02920	37.1
111.04506	8.0
111.08157	25.3
113.06077	96.4
123.08115	6.0
133.06628	4.3
135.08179	6.3
137.06093	4.7
147.08156	4.2
148.99458	3.0
149.09737	18.8
151.07669	3.5
153.09206	29.8
157.05061	58.1
161.54488	3.4
165.09244	14.4
177.09207	39.1
189.12833	3.5
195.10303	5.2
207.13939	6.3
218.72833	3.8
235.13470	11.9
251.13016	5.3
253.14473	24.4
270.54422	3.0
280.15146	3.3
297.13431	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	297.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	7.5
57.03466	9.9
58.00589	1.5
59.01387	65.7
59.01689	2.3
69.03465	8.3
71.01382	61.4
72.99298	4.9
73.02944	19.6
75.00877	1.3
76.29934	1.2
82.22301	1.4
85.02939	26.6
89.02428	11.5
91.03999	1.8
93.84277	1.3
95.01417	1.3
97.02952	12.0
101.02439	100.0
102.65961	1.1
113.02441	11.1
115.04005	7.2
117.78664	1.2
128.75182	1.4
131.03448	2.3
145.05110	1.3
148.58711	1.2
150.53601	1.1
161.04578	6.3
163.06126	93.0
166.34338	1.1
179.03459	7.1
194.05804	7.5
209.08183	10.0
219.05162	6.6
235.01439	1.1
237.06180	5.0
297.13480	13.7
297.24429	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	297.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47765	1.7
55.01880	7.5
57.03453	9.4
59.01105	3.2
59.01394	86.9
61.98827	2.4
69.03452	2.9
71.01392	66.4
73.02959	24.6
78.14875	2.0
81.03433	2.6
83.01408	2.1
83.05038	5.1
83.63360	1.8
85.02950	29.3
89.02443	4.8
92.12347	6.5
95.10848	1.8
97.02914	7.5
99.00854	3.2
101.02443	100.0
103.06033	1.9
113.02437	14.7
116.92804	2.0
131.03511	3.5
163.06125	68.1
163.07410	3.9
237.16016	2.3
297.08060	2.6
297.13446	39.7
297.24274	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	297.2436
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
51.07267	0.4
59.01375	2.5
66.03654	0.4
81.55318	0.4
99.92593	0.6
116.92850	11.3
116.97339	0.6
117.01945	0.5
117.92864	1.9
137.33157	0.6
141.12871	2.6
155.10783	15.3
183.01215	2.2
192.11647	0.6
210.23749	0.5
231.09425	0.5
232.45912	0.5
279.23288	16.3
295.22751	0.7
296.22934	1.0
297.15436	4.0
297.24365	100.0
298.24478	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2435
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
53.50005	0.4
59.01389	1.1
60.73328	0.4
61.98825	0.5
68.73325	0.4
72.76919	0.5
79.12333	0.5
82.39218	0.5
88.70910	0.5
108.88898	0.6
116.92844	3.7
145.21846	0.5
169.12318	6.1
183.01257	2.2
183.13910	20.5
183.86411	0.5
209.08884	0.5
218.59828	0.4
229.49675	0.5
245.36610	0.6
279.23349	13.3
291.18420	0.5
295.22681	0.5
297.15491	3.8
297.24377	100.0
298.24792	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2439
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
57.19228	0.2
58.20177	0.3
59.01376	1.4
61.98831	0.3
97.06571	0.3
99.92561	0.4
100.95972	0.2
111.08166	0.6
113.09728	0.5
116.92858	5.7
117.92875	0.4
157.08701	13.1
165.12743	0.3
183.01216	1.2
261.22348	1.1
279.23315	19.8
295.22873	1.0
297.15433	2.8
297.24384	100.0
298.24625	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2437
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01387	0.6
65.74249	0.4
83.04961	0.5
85.55051	0.5
101.98634	0.5
116.92854	4.3
141.12823	0.7
155.10794	2.2
171.10277	3.9
243.01674	0.4
253.25452	0.9
279.23361	7.4
297.24384	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	297.2438
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
56.79675	0.4
59.01380	2.5
61.98826	1.1
76.57472	0.5
92.11790	0.6
99.92578	0.6
111.89771	0.4
113.02482	0.5
113.07509	0.5
116.92867	15.1
116.97219	2.2
117.92872	1.1
139.12910	0.4
175.80064	0.4
183.01178	2.6
249.22191	0.9
251.23825	43.5
260.63019	0.5
279.23169	0.9
297.15329	2.9
297.24377	100.0
298.24835	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1139
Annotation	Salidroside
Peak:m/z	Relative Intensity
55.01883	1.1
57.03442	1.4
58.00574	1.6
59.01388	100.0
61.16942	0.6
69.03463	0.6
71.01382	44.8
72.99306	4.4
73.02934	1.1
79.95735	1.0
83.01380	1.2
85.02944	9.6
87.00871	1.5
89.02444	50.2
92.11769	0.9
92.85041	0.7
95.01366	4.1
97.02982	0.7
101.02433	21.9
107.05021	1.2
113.02444	16.7
119.03492	21.5
119.04985	11.4
131.03487	1.4
132.02960	0.9
137.06062	3.1
143.03490	1.4
149.04491	0.8
174.99294	0.8
179.05641	3.8
217.00308	1.4
272.85907	0.7
273.94263	0.7
299.11465	13.2
299.14536	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1291
Annotation	Magnolignan A
Peak:m/z	Relative Intensity
59.01386	1.6
136.16373	0.3
174.99289	0.4
188.87550	0.3
217.00343	1.5
241.08757	1.1
253.05144	0.3
254.05850	8.8
255.88661	0.2
268.07452	0.3
269.08215	50.6
283.09723	1.5
284.10562	100.0
285.10922	1.4
299.12915	73.5
300.13242	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	300.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.8
59.83132	0.4
65.17542	0.3
66.38766	0.3
68.01424	0.6
71.01392	0.5
78.95909	0.4
89.02442	0.5
91.25099	0.5
93.03449	3.4
94.03783	0.9
100.95289	0.4
108.98541	0.4
122.06084	0.5
123.03265	14.6
128.63553	0.4
137.02437	4.4
137.04797	0.9
138.02763	2.8
138.05608	100.0
139.31873	0.4
152.07185	1.5
180.06693	1.7
300.11041	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69191	0.9
59.01387	10.0
61.98822	1.2
73.02980	1.3
73.04065	18.2
76.22449	1.1
76.56174	1.4
82.06631	1.3
83.02518	1.1
97.40974	1.1
107.27787	1.2
130.08731	100.0
133.68259	1.3
139.08746	6.6
141.09267	1.3
141.10327	6.1
143.11919	5.2
154.37363	1.2
169.09827	21.6
199.09013	1.3
199.18184	49.5
218.00583	1.6
220.94348	1.1
243.17125	1.6
256.20340	18.9
295.11749	1.2
300.19318	94.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40554	0.9
59.01369	7.2
70.91178	1.0
73.04063	16.7
75.82610	0.9
84.08162	1.3
112.76788	1.1
129.10367	1.7
130.08733	100.0
131.42715	1.1
139.08751	7.6
141.09132	1.2
141.10313	4.7
143.11893	5.8
169.09825	21.3
182.15523	1.1
199.18184	42.6
202.32080	1.1
256.20383	11.7
272.97372	1.4
300.19305	89.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
62.91840	0.3
114.98869	0.3
115.02505	7.6
117.00436	16.2
141.00429	0.3
149.81696	0.3
156.90317	0.3
156.93053	1.2
157.03549	2.4
159.01495	94.2
160.01656	0.6
160.86552	0.3
201.02567	22.7
217.00575	1.3
232.57353	0.3
241.00485	0.5
259.01501	3.3
301.02682	43.6
302.02820	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79225	0.2
59.01390	0.5
59.21362	0.2
63.24403	0.3
74.61349	0.3
78.95911	56.2
79.95764	0.5
88.04032	2.3
96.96040	16.7
96.96961	100.0
113.92648	0.5
116.05005	0.3
181.08763	0.4
203.08278	0.5
300.19247	0.5
301.19583	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	7.0
61.98825	0.5
63.96268	0.4
71.04257	0.3
72.05582	0.3
95.05012	0.4
95.19398	0.3
98.09440	0.3
102.05605	1.2
110.27657	0.3
115.08769	1.1
115.89277	0.3
120.99646	100.0
123.00879	0.4
128.03540	0.4
139.04034	0.4
146.04662	0.4
153.00177	1.3
163.04033	0.3
167.01691	0.5
167.06013	0.3
198.24370	0.3
200.99367	0.3
213.05901	1.5
263.14038	1.5
301.13440	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03479	0.9
57.81849	0.7
59.01387	43.9
61.98839	0.8
65.62112	0.7
65.80665	0.7
77.86765	0.7
125.09712	20.5
135.08167	5.5
153.09215	56.5
169.08685	5.6
171.10280	8.8
179.07108	0.9
197.08215	36.7
197.09969	1.6
215.09273	100.0
222.12399	1.0
245.30428	0.9
246.11888	1.0
257.10324	21.7
257.12906	1.2
300.04312	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92951	0.3
59.01112	0.7
59.01389	15.1
59.01687	0.5
61.98829	0.4
69.92477	0.3
71.01382	10.2
73.02929	0.6
83.00699	0.3
85.02965	1.4
89.02442	12.3
101.02429	2.1
113.02456	1.9
113.43968	0.4
113.56843	0.4
119.03504	1.5
121.02946	100.0
131.03500	0.4
133.45271	0.3
143.03552	0.6
149.04591	0.5
165.05711	0.4
171.10437	0.4
175.07387	0.5
179.05600	2.6
211.00690	0.4
212.04788	0.7
223.23903	0.3
225.05566	1.7
240.04326	2.4
240.07845	0.6
253.05014	0.8
253.42853	0.4
255.04292	0.5
255.06696	6.2
256.07373	0.5
270.08936	4.0
271.09824	0.8
301.10999	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1084
Annotation	Isonotholaenic acid
Peak:m/z	Relative Intensity
50.24401	0.3
59.01393	2.7
60.83625	0.2
61.98823	2.3
80.72011	0.3
82.68215	0.3
131.05016	10.8
149.02373	0.5
151.07648	2.9
158.07333	0.6
159.04506	2.1
159.08160	0.7
171.08241	0.5
172.05298	6.1
173.06041	0.5
182.07867	0.3
183.08176	0.5
183.13918	2.7
185.06020	0.8
186.06873	1.4
187.07635	26.5
197.09692	5.2
198.10442	0.7
199.07570	2.9
211.11302	0.3
212.04784	0.4
213.09114	2.3
213.12759	0.5
214.10014	2.4
215.07202	0.5
227.07083	3.3
230.09499	0.4
239.10851	0.6
241.08710	11.3
242.09503	62.5
243.09856	1.6
257.11850	100.0
258.12091	2.8
274.08389	0.7
301.10840	59.7
302.11087	1.5
311.64502	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1447
Annotation	Enterodiol
Peak:m/z	Relative Intensity
53.61806	0.2
59.01349	0.9
61.98801	0.9
75.74918	0.2
78.95899	3.0
110.99708	0.2
121.02874	0.2
123.44659	0.2
174.42464	0.2
180.07446	0.2
219.97679	0.3
225.09254	2.3
225.35596	0.2
238.06375	1.1
239.07167	0.2
240.11578	14.3
253.08707	21.2
255.13831	0.4
257.11902	0.3
268.11057	82.5
269.11511	0.8
283.13605	1.5
285.11646	0.3
285.14960	1.4
286.12131	1.3
301.14478	100.0
302.14877	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	1.0
61.98830	0.6
71.68582	0.1
97.10068	0.2
106.56671	0.1
157.06465	0.2
172.05309	0.1
173.06070	0.7
176.04854	0.2
185.06067	2.5
186.06850	6.5
187.07661	2.4
199.07671	0.2
201.05551	0.1
211.11230	0.2
212.08743	0.1
213.09216	0.3
215.10744	0.2
218.05887	1.8
225.09145	0.2
227.10889	0.5
229.12328	2.5
241.08701	0.7
243.10194	0.1
253.08559	0.2
257.11819	0.6
261.11444	0.3
268.11081	0.7
269.11823	2.0
271.09833	0.7
271.13422	0.2
283.13461	0.2
285.11340	11.3
286.12119	7.0
301.14474	100.0
302.14749	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.9
61.98817	0.5
68.65271	0.3
97.06609	1.2
105.31094	0.3
106.93165	0.3
129.91953	0.3
158.07379	0.6
159.08160	0.4
171.08105	0.4
173.06079	1.6
186.06880	1.3
212.05249	0.3
221.27142	0.3
225.09224	7.2
238.06302	0.4
239.10698	0.4
240.11577	61.3
241.12044	0.8
245.20847	0.4
253.08713	8.8
255.13928	3.9
266.07700	0.3
267.10278	0.4
268.11060	20.3
269.11578	0.5
283.10251	0.6
283.13412	15.8
301.14465	100.0
302.14783	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1663
Annotation	Viridamine
Peak:m/z	Relative Intensity
59.01377	0.4
59.96742	0.3
60.97498	1.1
61.98818	0.3
74.99065	0.5
81.95261	0.2
88.41798	0.3
93.00113	0.3
108.15529	0.2
134.99406	7.8
136.97302	3.9
141.07439	0.4
152.58063	0.3
152.96840	0.4
159.08453	2.0
161.06403	8.5
201.01216	0.3
201.04030	0.3
203.05663	4.6
205.03683	1.1
215.05730	1.3
217.07240	100.0
218.07375	1.8
235.08279	0.4
261.06296	0.5
283.11926	0.5
285.13507	40.2
286.13660	1.2
301.16647	90.4
302.16711	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	301.2174
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
50.81869	0.4
53.23438	0.3
53.83458	0.3
53.99092	0.4
54.84586	0.4
56.28728	0.4
59.01377	0.9
61.74295	0.4
61.98835	0.9
74.73423	0.4
76.68189	0.5
96.09335	0.5
116.92789	0.5
157.55975	0.5
209.50584	0.5
259.62219	0.6
301.21753	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	302.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64368	0.3
52.84094	0.3
56.80089	0.3
59.01392	0.9
59.89781	0.3
61.98832	2.8
62.39421	0.4
84.04556	100.0
86.37321	0.4
86.74201	0.4
92.05550	0.4
96.04562	0.7
139.23320	0.4
166.12370	56.1
219.97847	1.0
223.79611	0.4
261.34940	0.5
313.39474	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0508
Annotation	cis-Dihydroquercetin
Peak:m/z	Relative Intensity
51.91639	0.8
57.03458	21.8
59.01394	8.4
61.98822	4.8
63.02392	1.5
65.00316	5.3
81.03443	1.2
83.01375	11.6
92.11800	1.5
95.01365	1.1
103.92039	2.3
107.01377	6.7
109.02941	5.4
111.01982	4.8
118.70092	1.1
121.02932	2.2
123.04517	10.9
123.94588	1.2
124.01643	2.0
125.02439	100.0
135.00885	1.8
137.02419	1.5
139.04025	1.8
142.09152	1.3
145.96674	1.8
147.04518	1.7
149.02432	5.1
150.03264	7.3
151.00388	14.6
151.03986	10.1
152.01205	8.9
153.01936	13.5
156.06778	1.1
163.00388	10.4
173.02426	1.2
174.03320	1.9
175.04015	12.8
177.01941	14.7
178.99907	8.9
181.01491	1.3
188.04852	2.4
189.05537	4.2
190.99875	57.0
193.05049	2.4
199.04039	9.3
199.94031	1.3
201.01978	1.9
206.00371	2.3
206.02225	53.5
215.03476	1.5
216.04401	1.4
217.05058	9.4
221.04576	38.6
241.05037	2.1
243.06258	2.4
259.06061	4.8
275.05609	6.4
285.04089	50.3
303.05176	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	303.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43320	0.8
59.01382	6.9
70.43596	0.9
71.01396	15.6
84.22056	0.8
85.02958	1.2
87.92535	7.5
96.07291	0.8
103.92036	15.6
104.92797	1.5
110.02493	1.5
111.01962	2.0
115.00368	23.1
116.05054	2.0
123.94606	5.7
129.05560	0.9
130.08643	0.9
142.78932	1.1
144.04553	100.0
145.96721	6.5
146.06133	1.4
160.84238	1.3
161.96230	4.2
163.97737	1.8
169.04114	7.4
169.07664	0.9
172.07658	1.2
183.99327	1.1
187.05132	32.8
188.03612	2.2
197.07187	1.9
199.94147	9.3
215.08276	3.6
241.06224	8.4
243.03011	1.1
243.06267	3.6
259.07260	33.1
267.09900	1.1
271.36978	0.9
293.99960	1.1
303.06256	40.7
303.13791	1.9
304.06305	1.2
313.05948	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0877
Annotation	4,2',4',beta-Tetrahydroxy-6'-methoxydihydrochalcone
Peak:m/z	Relative Intensity
57.03462	2.6
58.01414	0.6
59.01400	6.0
61.98833	1.3
65.03973	3.0
65.82077	0.6
67.01885	1.0
68.65913	0.7
69.03452	5.2
71.01405	1.0
73.02946	0.7
81.03454	1.8
83.01387	18.4
83.05038	1.1
93.03471	6.2
94.02122	0.8
95.01362	1.2
95.05009	5.0
97.02945	22.1
99.04543	1.2
103.92028	1.4
107.05022	5.6
108.02187	6.9
109.02942	14.3
110.02478	0.8
111.01983	1.1
117.03429	1.0
121.02956	8.0
122.03730	10.4
123.04514	5.0
124.01621	1.7
125.02428	9.6
133.02937	1.0
135.04463	0.8
136.01727	0.8
137.02437	100.0
138.03215	5.1
139.04007	4.0
144.04541	0.8
145.02962	3.1
148.01660	3.0
149.02428	4.3
150.03224	11.9
151.04007	10.5
153.05597	1.7
154.02666	1.5
159.04517	1.6
160.05269	1.5
161.02457	4.2
163.04008	3.0
164.01210	1.0
165.01906	5.0
165.05553	6.6
166.02721	1.4
179.03564	1.3
183.04614	1.7
187.04065	0.9
197.06128	0.9
199.94246	0.8
201.05621	4.6
202.06358	4.2
204.04272	4.3
213.05725	0.8
217.08730	3.3
219.06564	6.7
220.07405	10.2
225.05617	1.5
226.06384	1.4
227.03392	0.9
235.09756	4.4
241.05096	1.5
242.05812	1.1
243.06268	1.7
244.07462	6.9
259.09711	5.8
261.07556	1.1
269.04617	1.8
270.05344	6.6
285.07675	8.6
303.08774	61.0
303.14301	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	303.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41661	1.1
52.86939	1.2
53.76917	1.2
54.51062	1.2
59.01395	11.9
71.01380	17.0
83.05013	1.9
87.92525	10.6
92.82835	1.4
103.92043	20.7
104.92812	3.4
105.93650	1.6
110.02467	6.4
111.01999	3.2
115.00366	19.4
116.05028	2.4
118.19336	1.4
123.94599	9.0
137.05043	1.6
139.07568	1.8
144.04559	100.0
145.96729	8.9
146.06006	1.5
161.96202	9.4
163.97736	1.9
169.04041	3.0
187.05139	39.5
188.03497	2.3
189.95613	1.9
197.07156	2.1
199.94157	10.0
200.05640	1.8
241.06235	7.3
243.06236	6.6
259.07260	27.5
303.06268	36.3
303.14554	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	303.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95255	0.4
59.01375	2.0
61.98824	0.4
64.34595	0.3
70.02921	0.3
71.01379	0.5
87.04510	12.2
88.52194	0.4
92.11655	0.3
100.81460	0.3
103.92047	0.5
107.05037	0.5
111.02028	0.4
111.80088	0.3
112.09186	0.3
123.04510	0.3
124.01903	0.3
133.06606	0.8
141.35109	0.3
145.03023	0.5
145.96712	0.5
147.08145	0.3
159.04584	0.5
159.08141	0.6
161.06097	1.2
161.09755	2.9
167.03465	0.7
171.08165	11.4
172.05309	4.8
173.06070	2.0
174.03209	0.5
174.06836	2.2
187.07648	21.6
187.11234	0.5
188.08394	1.3
189.05576	34.0
189.09198	19.3
190.05951	0.4
215.07201	0.4
215.11000	0.3
216.07874	3.5
231.10266	6.7
243.06331	0.7
255.06985	0.3
259.13361	2.6
273.15369	0.3
301.14612	0.8
303.12415	100.0
304.12714	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	303.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84256	0.5
59.01384	5.1
61.98819	0.8
63.54221	0.6
65.53764	0.5
68.28491	0.7
71.01385	0.9
87.04511	14.6
87.92522	0.7
97.06584	3.2
103.92042	1.1
110.02480	1.1
111.02011	1.2
113.33585	0.6
133.06557	0.6
135.20827	0.6
135.85765	0.6
141.83295	0.7
145.96716	0.7
147.04564	0.8
159.04558	0.8
161.06082	3.0
161.09709	1.0
171.08147	10.4
172.05295	21.5
173.06075	3.1
174.06865	1.1
186.06905	2.3
187.07657	99.4
188.08092	1.1
189.05560	8.6
189.09206	14.1
199.94263	0.8
201.09344	0.7
215.07155	9.3
215.14568	1.0
216.07988	2.7
225.15097	0.6
231.06595	0.8
231.10271	3.6
240.49742	0.6
241.12331	0.7
243.06340	1.4
259.13397	14.7
303.12411	100.0
304.12726	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	303.2333
Annotation	omega-3 Arachidonic Acid
Peak:m/z	Relative Intensity
54.82426	1.1
59.01386	19.0
59.69650	1.2
61.98812	2.1
71.01327	1.3
74.44147	1.2
84.34167	1.1
94.05267	1.5
110.19106	1.4
112.07050	1.6
116.92860	2.1
123.19804	1.3
155.21541	1.6
251.95372	1.5
256.87482	1.5
259.24390	13.1
303.23325	100.0
304.23651	2.1
304.48700	1.6
309.03772	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81256	0.8
59.01385	66.8
60.01716	4.7
61.98834	100.0
69.38997	0.8
71.76826	0.8
78.70599	0.8
78.95919	1.0
78.97035	0.9
79.95727	1.6
94.19548	0.9
95.53786	0.9
115.02490	1.0
117.00449	4.8
118.00534	1.8
119.00179	4.5
136.94016	1.8
159.01492	17.6
159.76994	0.8
160.01637	18.3
161.01161	23.4
161.98956	18.8
162.01630	4.1
178.95094	1.4
184.90662	1.3
201.02573	3.3
202.02710	4.2
203.02324	4.2
204.00023	1.8
204.02730	1.0
204.89722	6.4
205.39767	1.6
226.06003	1.0
242.38126	1.1
263.84903	25.0
263.87491	1.8
264.34918	7.8
264.84726	8.2
303.02618	8.4
303.82773	33.1
303.99561	14.7
304.03131	17.0
304.32675	10.9
304.82620	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	305.0669
Annotation	(+)-Gallocatechin
Peak:m/z	Relative Intensity
51.40000	0.7
55.20575	0.8
57.03453	12.7
58.36097	0.8
59.01368	1.5
59.49029	0.7
69.03450	1.8
69.87850	0.9
71.01372	0.8
71.13315	0.8
81.03454	5.5
83.01392	4.6
87.17786	1.0
92.11768	1.0
93.03444	4.9
93.93399	0.8
95.01399	3.8
95.05006	3.8
97.02942	5.6
99.04538	1.1
107.05039	1.1
109.02945	22.5
111.04542	10.2
113.06066	1.0
121.02946	1.9
123.00884	7.4
124.01661	6.4
125.02434	100.0
131.05011	0.9
137.02437	28.2
138.03235	3.8
139.04019	27.8
147.04530	1.4
149.02502	1.2
149.06110	2.2
151.04041	2.1
159.04498	1.6
161.02443	3.8
162.03160	1.0
164.01158	6.1
165.01930	19.3
167.03493	23.8
171.87073	1.1
175.04013	3.9
175.07632	1.8
177.01888	1.0
177.05595	5.1
179.03487	15.2
191.07091	1.0
201.05449	1.8
203.03496	2.1
204.04214	3.5
219.06609	16.3
221.04556	5.8
237.07686	1.0
261.07822	3.7
305.06720	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46777	0.4
59.01387	51.3
59.36598	0.4
61.37244	0.5
61.98824	3.4
63.90482	0.5
71.01356	0.7
73.02924	0.5
73.27600	0.4
79.95750	2.2
87.99335	0.5
93.14381	0.5
96.96010	100.0
97.06574	1.0
124.87890	0.5
125.02417	0.6
130.08725	1.1
133.75182	0.5
141.32399	0.5
142.24500	0.5
147.08148	1.1
165.09196	0.7
166.34341	0.6
178.81479	0.6
225.11360	26.9
241.11713	0.6
305.07037	65.0
306.07312	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	305.1034
Annotation	12-Oxocurvularin
Peak:m/z	Relative Intensity
53.28599	0.6
59.01395	9.4
61.98830	1.3
67.01887	1.8
67.33858	0.8
69.03452	3.8
72.31078	0.6
79.80290	0.7
90.83331	0.7
93.03457	48.6
94.63623	0.8
95.04993	1.6
102.51665	0.7
112.69552	0.8
121.02947	100.0
121.06549	3.4
147.08195	1.1
159.08224	2.3
161.09703	1.2
171.08139	0.8
173.09694	3.3
187.07602	2.9
187.11330	1.8
188.08022	1.1
189.12877	13.2
200.08434	1.0
205.12411	5.9
215.10796	1.4
233.11858	12.6
260.13684	5.2
261.11426	1.0
261.14020	3.3
277.10822	21.3
305.10321	88.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.249
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
59.01390	42.3
61.63870	0.3
61.98824	0.6
65.00401	0.5
71.01392	4.1
73.02921	0.7
76.36845	0.5
85.02958	0.8
96.44271	0.4
101.02405	0.9
112.10330	0.5
113.02409	0.9
116.92848	0.6
130.93587	0.4
141.01730	3.9
141.19778	0.5
161.04558	6.3
176.15955	0.5
196.62935	0.5
236.31125	0.4
258.09979	0.6
305.24908	100.0
306.25281	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	306.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
59.01390	100.0
61.98830	1.1
71.01392	8.4
73.02946	2.3
82.02974	1.3
84.04546	2.7
84.58821	0.5
85.02940	4.6
87.88878	0.6
89.02437	3.4
90.58569	0.6
99.00887	0.7
100.04051	0.7
101.02454	4.6
113.02451	4.1
117.03443	5.4
118.04216	1.3
119.05027	36.3
121.02971	5.1
128.03542	3.3
131.04947	0.6
133.02982	2.4
133.06575	1.0
134.03743	2.4
144.04550	0.6
145.02966	8.3
159.02969	1.5
161.04585	17.1
161.06036	2.5
173.04823	0.8
176.07214	9.0
177.05588	20.2
185.08531	0.7
188.05708	4.8
188.07155	1.1
190.99931	1.0
202.08809	2.4
206.02284	1.0
216.10297	10.8
218.11885	3.1
221.04425	0.8
244.09789	2.5
262.10873	26.0
288.08823	14.9
306.09866	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
63.57584	0.3
71.01383	8.8
73.02943	2.1
83.01398	0.6
85.02958	4.3
89.02455	2.5
91.22529	0.4
99.00848	0.6
101.02435	5.5
113.02447	4.9
115.41872	0.4
119.03497	0.7
159.02950	0.5
161.04559	16.4
162.06415	0.4
188.05634	3.3
246.09944	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
59.01388	100.0
60.01724	11.2
60.53863	0.2
69.17144	0.2
71.01380	8.7
72.01733	1.1
73.02937	2.2
75.70970	0.2
76.73978	0.3
83.01405	1.1
85.02959	3.3
86.03306	0.6
89.02430	2.8
95.01398	0.4
99.00893	0.6
101.02426	3.9
102.02778	1.0
113.02444	4.3
114.02802	1.1
119.03524	0.4
143.03560	0.4
159.03003	0.5
161.04552	11.4
162.04881	4.4
188.05736	1.6
189.06073	1.1
203.19499	0.2
246.09875	0.4
247.10349	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.14
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00069	0.4
59.01390	100.0
71.01402	2.7
73.02938	0.5
85.02974	0.4
85.05367	0.4
101.02435	0.6
113.02489	0.4
161.04582	0.7
229.34033	0.5
247.11972	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.14
Annotation	NSC-224070
Peak:m/z	Relative Intensity
50.45356	0.7
54.82959	0.6
55.01868	1.5
57.03444	1.1
58.00598	1.3
59.01385	65.2
64.35079	0.8
71.00982	1.3
71.01376	26.7
72.99300	3.3
73.02952	1.8
75.90426	0.7
83.01354	3.3
83.06509	0.7
85.02943	7.3
87.00880	0.9
89.02436	23.9
95.01389	1.8
97.46056	0.8
99.07521	1.2
99.08154	29.1
99.08791	1.3
101.02437	17.6
101.04329	0.7
102.39388	0.8
112.72369	0.6
113.02436	7.4
114.01929	4.3
115.07520	0.9
118.63921	0.7
119.03481	7.5
119.29341	0.7
124.87717	0.7
127.07609	3.6
129.09212	3.7
132.03009	1.7
137.15079	0.7
141.09209	1.4
145.08708	70.9
179.05745	1.0
187.09637	0.9
221.60130	0.9
242.27872	0.9
307.14014	100.0
308.14218	1.1
312.24271	0.8
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	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
54.82253	1.0
57.03436	1.4
59.01385	42.0
60.01703	5.0
61.98819	1.4
69.03458	1.0
70.11929	0.8
71.01380	9.6
76.57804	0.9
80.02659	1.6
81.03436	2.3
81.30720	0.8
85.02957	1.1
85.75996	0.8
85.88657	0.9
95.05004	1.1
96.93318	0.8
97.02953	2.3
97.06573	1.4
103.03993	2.1
108.05383	0.9
108.54435	1.0
109.02936	0.9
109.06582	5.0
121.02964	1.0
121.06587	1.1
123.04504	5.7
123.08170	1.8
125.09732	7.9
127.11346	1.1
137.06126	1.3
137.09737	7.4
149.06033	1.1
151.11284	1.3
157.05058	1.8
161.04512	3.8
162.04881	1.5
163.11263	8.1
165.09164	1.0
179.10828	1.2
181.12344	1.9
185.11890	12.8
191.14417	11.6
197.46826	1.0
207.10275	9.8
217.16066	1.6
222.30380	1.1
225.11380	7.2
245.19060	26.1
263.20242	1.7
271.16891	4.3
289.18118	100.0
307.19165	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2285
Annotation	Yaretol
Peak:m/z	Relative Intensity
52.35313	0.3
54.82295	0.3
55.14090	0.3
56.05788	0.3
59.01387	4.1
60.01711	0.4
61.98812	0.3
67.99315	0.3
71.01373	1.3
99.48316	0.3
163.70845	0.3
189.07896	0.3
204.14894	0.3
307.22833	100.0
308.23148	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2646
Annotation	5(Z),14(Z)-Eicosadienoic Acid
Peak:m/z	Relative Intensity
59.01148	0.3
59.01396	5.8
60.01718	0.5
61.98840	0.4
66.57439	0.3
71.01377	1.3
78.87656	0.4
103.04034	0.6
109.82204	0.3
116.92826	0.4
128.03535	0.6
143.92252	0.3
153.29425	0.3
160.36926	0.4
184.74455	0.4
213.67474	0.4
250.19615	0.3
299.26666	0.4
307.26468	100.0
308.26846	2.8
327.01910	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71153	0.5
59.01387	9.9
60.01723	0.8
61.47708	0.4
61.54802	0.4
61.98824	2.3
63.21687	0.4
63.38250	0.4
71.01379	7.7
72.00923	0.5
88.04039	38.2
99.28181	0.5
114.01967	4.7
115.00361	13.0
120.99635	5.4
122.00002	0.6
128.03525	1.1
132.03023	100.0
134.03725	14.9
149.06075	4.3
160.01653	1.9
165.38531	0.5
175.03992	0.9
193.05067	2.4
264.08838	0.7
308.07819	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	308.099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19693	0.2
54.67416	0.2
54.81855	0.2
59.01372	0.4
60.27029	0.2
61.98819	1.0
63.99262	0.2
64.58090	0.2
67.63778	0.2
71.01369	1.2
73.95676	0.2
82.02980	0.4
87.00865	0.2
89.02444	0.3
115.00358	2.6
128.03529	100.0
131.31549	0.2
133.01425	3.6
175.02475	0.3
220.12653	0.2
285.21289	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56623	0.2
56.08590	0.2
59.01383	0.6
61.98837	3.4
63.99256	0.6
71.01369	1.3
72.35063	0.3
82.02987	0.3
92.12313	0.4
101.02383	0.4
102.05630	0.3
115.00374	0.3
128.03532	100.0
129.03915	0.4
130.08728	1.2
142.99832	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25868	0.3
51.73671	0.3
57.03450	0.5
59.01390	6.3
60.55296	0.3
61.98837	3.0
71.01383	28.5
72.99306	5.6
73.02946	9.9
74.99070	0.4
75.00880	0.4
81.53785	0.3
85.02958	4.2
87.00873	16.9
89.02436	4.6
89.54395	0.4
90.17731	0.4
91.80659	0.4
101.02435	2.6
105.71122	0.5
113.02499	0.5
115.00368	79.6
117.01932	15.1
128.03529	51.6
129.01970	3.5
129.02933	0.7
129.03889	17.2
129.05424	0.6
133.01425	100.0
134.01781	0.6
135.18636	0.4
166.37607	0.4
175.02461	21.0
216.78351	0.4
250.92142	0.4
309.11871	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50973	0.2
55.22615	0.3
55.34383	0.3
59.01392	4.7
59.97560	0.3
60.94574	0.3
61.98533	0.6
61.98832	8.3
69.63416	0.3
71.01381	28.5
72.99298	5.5
73.02937	2.6
82.74351	0.3
85.02937	0.5
87.00867	14.8
87.68468	0.3
89.02446	2.9
90.41102	0.3
115.00362	76.7
116.00668	0.3
117.01948	1.9
128.03523	10.9
129.03888	2.1
133.01421	100.0
175.02481	21.0
175.03810	0.4
203.38939	0.4
221.87524	0.4
249.36563	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0476
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99349	3.1
58.99617	59.8
59.01385	22.2
60.74406	1.8
61.98846	72.2
63.94489	15.9
63.96236	3.5
64.95262	2.5
65.32276	2.0
69.31024	2.3
71.01400	3.9
72.99310	12.1
74.99107	100.0
76.00674	2.2
83.36336	2.5
87.00887	17.4
87.26101	1.9
96.96025	17.6
99.02756	46.7
100.54331	2.3
102.98606	3.2
113.04302	4.9
117.97342	3.4
118.98066	4.6
125.04320	4.3
128.03520	11.4
129.01973	3.0
129.05585	4.8
135.98344	13.9
136.99149	65.5
137.07188	2.8
140.07381	2.2
154.35194	2.5
184.50439	2.4
201.69691	3.0
220.45195	2.6
227.14055	5.0
291.03683	3.1
309.04752	80.9
310.09412	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78709	0.3
61.98826	0.7
64.88657	0.3
71.01382	23.1
89.02448	0.4
89.03970	3.0
99.26991	0.3
115.00359	13.1
117.03460	8.7
133.01427	13.9
134.03735	100.0
135.04080	1.5
137.02429	1.6
149.06091	6.1
178.02724	4.1
193.05072	72.8
194.05458	1.3
211.59956	0.3
236.12286	0.4
253.39487	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07166	0.2
56.73181	0.2
59.01384	2.9
60.01726	0.4
61.01813	0.4
61.98840	100.0
70.34209	0.1
70.56005	0.2
71.01381	0.2
71.54688	0.2
78.29616	0.2
92.64879	0.2
114.95303	0.2
146.73576	0.2
162.39328	0.2
257.79642	0.2
268.57901	0.2
292.93353	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1124
Annotation	Harringtonolide
Peak:m/z	Relative Intensity
58.02973	3.5
58.99600	0.5
59.01387	13.3
61.98832	0.8
63.96236	4.2
64.97035	6.3
71.01397	4.7
71.05022	24.4
71.85992	0.5
73.02956	1.3
74.99082	0.8
85.02931	3.6
85.13921	0.6
86.06145	0.7
87.00865	0.8
87.05626	6.0
89.02431	3.9
90.06982	0.6
99.04504	7.3
101.02431	4.7
101.07185	0.8
108.01273	0.9
113.02429	1.3
115.05112	2.3
116.07154	4.4
119.03482	1.1
126.98299	0.6
128.03543	2.9
129.01929	1.4
129.03955	1.0
129.05577	6.3
130.00174	0.6
130.08734	1.0
146.08243	100.0
189.07726	0.6
194.21170	0.6
196.68962	0.7
217.11981	22.4
238.92735	0.6
245.15088	2.3
309.11389	66.4
310.11948	0.8
318.05084	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	26.4
59.12485	0.3
60.01722	2.8
61.98539	0.6
61.98839	9.8
63.19600	0.3
66.41425	0.3
68.24561	0.3
71.01388	1.4
75.61493	0.3
76.10679	0.3
85.02968	0.5
85.06602	0.4
87.00863	0.4
87.42360	0.3
89.02443	1.4
93.03468	0.3
96.96005	1.7
101.02486	0.3
101.06062	0.6
103.12990	0.3
105.04386	0.4
107.05000	1.1
109.04081	0.4
113.02493	0.3
113.04242	0.3
114.05670	0.4
115.34345	0.3
117.01467	0.3
119.05011	1.7
127.05118	1.3
128.03540	1.9
129.05579	100.0
130.05930	0.7
130.08618	0.3
130.36723	0.4
136.07660	2.9
161.04535	0.3
175.02687	0.4
180.06653	3.8
227.14018	0.6
273.15826	0.3
291.09869	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99626	0.2
59.01387	1.2
61.98836	7.3
68.37541	0.3
79.95732	1.3
96.96001	100.0
140.91997	0.3
167.03453	0.3
183.17540	1.2
200.07973	0.3
208.78796	0.3
211.17001	0.4
229.15804	0.6
229.18091	17.5
245.40414	0.4
273.07590	0.4
287.48358	0.3
309.13815	52.4
314.73157	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14171	0.3
57.03447	0.6
57.83016	0.4
58.29840	0.4
59.01370	1.0
61.98833	0.7
62.01397	0.4
64.33740	0.5
69.03455	0.5
71.01373	0.4
77.88939	0.4
85.15089	0.4
92.11728	0.5
97.02948	0.5
97.06580	2.5
106.68335	0.4
111.08118	0.5
113.09759	3.1
115.07638	2.2
125.06068	1.6
126.06870	1.8
139.11227	0.7
141.09227	2.0
151.11333	0.7
156.89070	0.4
163.11272	0.7
165.12869	3.5
167.10847	0.6
167.14409	2.4
180.55942	0.4
181.12325	5.1
183.13956	2.3
193.12328	2.2
193.15938	0.6
195.13916	2.4
204.33354	0.4
211.13416	4.1
221.15509	0.8
229.14462	1.8
229.33533	0.4
237.14740	0.5
239.12871	0.7
240.13704	2.5
241.14270	0.5
247.20668	4.4
263.20059	0.6
265.21713	0.5
273.18506	2.9
281.21268	0.9
291.19693	43.8
309.20749	100.0
310.21143	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2074
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.01881	2.1
57.03451	2.3
59.01381	3.2
61.98839	23.1
66.79079	1.7
68.24724	1.4
92.11644	1.7
95.01361	2.2
97.02950	3.2
99.00877	8.0
119.08691	3.9
137.09607	1.6
148.67288	1.5
151.04002	39.4
151.07651	47.6
152.08429	46.9
163.11307	6.4
165.05466	2.0
165.12852	7.1
171.10280	10.5
179.14455	2.9
181.12361	2.6
184.07440	10.7
185.11864	2.4
190.09981	2.8
193.08702	5.7
193.15976	1.8
195.10272	1.5
201.33638	1.6
201.84712	1.7
207.10231	2.3
208.11050	7.5
209.12077	1.9
209.15491	64.5
223.13405	3.6
247.16914	2.9
247.20628	10.5
252.10062	9.5
265.18076	22.3
291.16330	5.8
291.19672	99.6
309.17084	87.2
309.20758	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03774	0.3
51.76173	0.3
54.41307	0.3
57.03447	1.4
59.01371	2.0
61.98547	0.5
61.98837	9.9
71.01388	0.7
76.57211	0.4
80.02668	0.6
83.05020	0.6
84.34550	0.3
84.43063	0.3
92.12374	0.6
93.07070	0.5
109.06576	1.4
111.08155	3.7
125.09719	2.1
127.11295	1.7
129.09148	0.6
137.09731	0.5
151.11278	0.7
153.09190	0.7
153.12883	6.7
155.10796	1.3
156.92482	0.4
167.10722	2.5
169.12341	1.9
179.10707	0.5
179.14375	2.5
181.12224	3.4
193.15944	0.6
197.11778	3.3
199.13435	2.2
207.13966	2.9
215.12849	2.4
226.11928	0.5
227.12895	2.0
228.13596	0.6
241.14368	0.4
247.20653	5.6
263.20114	0.9
265.21811	1.5
273.18594	3.8
281.21283	2.1
291.19687	39.0
291.92474	0.4
292.75522	0.4
309.20743	100.0
310.21207	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2803
Annotation	Delta2-cis Eicosenoic Acid
Peak:m/z	Relative Intensity
54.33065	0.3
61.98841	6.3
71.01389	0.4
83.21187	0.4
96.95998	2.4
116.92863	0.5
124.80623	0.4
151.07596	0.5
191.19730	0.5
309.17197	2.4
309.28033	100.0
310.28333	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	311.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33292	0.3
55.01888	0.5
59.01385	100.0
61.98843	3.0
65.79649	0.3
69.73905	0.4
71.01384	10.1
73.02944	2.6
82.39223	0.4
83.01395	1.8
83.76741	0.4
85.02953	3.9
87.04510	17.1
87.05011	0.8
89.02444	4.8
95.01379	0.7
99.00885	0.4
101.02441	9.7
113.02446	5.7
119.03531	0.9
130.08759	2.8
131.03497	26.7
131.09090	0.9
159.03105	0.5
161.04539	6.8
251.11372	21.2
251.13971	0.7
332.49939	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
60.01720	0.3
61.98841	0.3
69.55710	0.2
71.01397	0.3
71.50123	0.2
74.97173	0.2
78.05428	0.2
95.67255	0.2
109.31845	0.2
124.91332	0.2
147.04480	0.4
177.12746	0.3
181.03479	0.4
188.96239	0.3
193.71654	0.3
258.16937	0.3
295.06903	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03203	0.8
57.03456	15.3
59.01392	10.0
63.56870	0.6
90.88950	0.6
101.94315	0.5
113.09737	16.9
137.09724	3.4
155.10789	100.0
164.24449	0.7
173.11809	2.7
182.99582	0.8
183.01219	25.1
184.02019	0.8
216.01013	2.0
239.07446	0.8
251.11305	0.9
270.45422	0.6
293.21182	0.6
311.16901	35.7
311.22205	9.2
312.17200	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82528	1.3
57.68863	1.0
59.01390	8.1
64.34485	1.2
71.01382	1.4
89.02420	1.3
95.06758	1.2
100.94617	1.1
121.10248	1.2
123.08091	1.4
125.09699	2.7
127.11306	4.3
134.22380	1.2
138.75172	1.1
139.11243	8.6
141.09308	1.1
167.24670	1.1
171.10269	37.1
183.01198	1.5
183.10320	2.0
185.11929	4.5
197.11807	4.7
199.13440	1.3
201.11403	8.8
211.13445	4.6
247.02156	1.1
275.20102	2.6
282.42535	1.2
293.21201	14.7
298.25055	1.4
311.16687	6.2
311.22305	100.0
319.38403	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60695	0.5
57.03462	0.7
59.01381	4.3
60.26791	0.6
60.57833	0.6
69.03455	0.6
69.15694	0.6
71.35259	0.6
73.47635	0.6
99.08154	0.9
101.81947	0.7
103.51698	0.8
110.28190	0.6
113.09724	1.5
116.95695	0.6
125.09756	0.7
127.11281	2.6
129.09273	0.7
132.33255	0.8
139.11317	4.8
167.14452	1.6
171.10258	22.4
174.46913	0.6
183.10220	0.9
183.13959	1.3
185.11888	4.8
195.13957	7.1
197.11890	1.1
199.13434	1.1
201.11372	2.5
211.13388	2.7
223.20818	2.5
227.80962	0.8
242.15384	0.8
267.19620	1.4
275.20190	2.8
293.21237	15.0
311.22302	100.0
312.22534	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05679	0.6
55.08043	0.6
57.03447	0.7
59.01379	4.3
62.84406	0.7
64.34170	0.6
65.68922	0.6
101.01946	0.8
108.58430	0.8
111.97217	0.7
113.09760	0.9
125.09669	1.3
127.11285	2.8
136.37085	0.7
139.11272	8.9
141.16919	0.8
167.14438	1.3
171.10265	27.5
183.10266	3.3
183.13918	1.2
185.11873	7.2
195.13870	6.5
201.11346	4.0
211.13480	1.2
223.20573	4.2
275.20291	3.2
293.21176	14.3
311.22281	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	311.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72881	0.3
57.02530	0.4
75.49718	0.4
78.58733	0.4
78.97934	0.4
113.09732	0.8
115.07603	0.7
126.62240	0.5
127.07619	0.6
128.08417	0.6
167.14401	4.2
183.13965	3.4
195.13908	12.2
207.12448	0.5
211.13425	1.0
213.15024	2.1
242.15231	0.9
249.22244	0.5
265.21655	0.6
267.23145	0.6
293.21262	8.5
311.22308	100.0
312.60184	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15574	0.3
53.14667	0.4
55.53397	0.4
58.68599	0.4
59.01384	0.4
89.91760	0.5
97.06585	0.8
123.08105	0.7
125.09709	5.8
127.11298	0.6
129.02602	0.5
134.58276	0.5
139.11304	1.8
141.09207	2.9
141.12881	0.7
149.85582	0.5
153.09239	1.0
155.14455	1.9
157.12338	0.7
158.93449	0.5
166.05344	0.5
171.10278	2.6
183.01219	4.4
193.86009	0.4
197.02785	2.0
199.09850	0.5
200.10503	1.9
211.20932	0.5
249.22247	2.5
265.21756	0.9
267.23309	0.7
275.20065	0.6
287.00311	0.5
293.21356	7.1
311.17142	7.2
311.22296	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	311.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92762	0.4
51.13531	0.3
59.01379	0.9
62.64070	0.4
71.52110	0.4
79.95702	0.5
125.09681	0.6
127.11281	0.9
129.09218	2.5
153.12860	5.0
163.09254	0.5
169.12379	2.3
170.00481	0.7
181.12346	13.1
183.01219	22.8
183.97441	0.4
197.02800	0.8
197.11876	0.9
198.22815	0.4
199.13467	1.8
228.13596	1.9
248.23798	0.6
249.22044	0.5
265.21909	0.5
285.45129	0.4
293.21307	9.3
311.16861	32.4
311.22318	100.0
312.17203	1.0
312.22607	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05362	0.4
58.00605	18.3
59.01382	4.6
67.85499	0.5
72.82618	0.5
73.02948	2.1
85.04524	0.5
86.20170	0.5
86.85336	0.5
97.06632	0.7
109.06574	3.0
113.25652	0.5
127.07639	7.2
169.12378	0.8
171.10284	1.1
183.13898	25.9
185.86136	0.5
195.13901	2.8
195.82339	0.5
199.13373	1.1
201.11299	2.1
213.14970	10.0
223.13432	2.8
241.14488	8.4
275.20157	3.3
293.21191	9.7
307.47293	0.5
311.22302	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	311.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09827	0.8
56.00602	0.8
56.96723	1.1
58.00603	21.3
59.01377	1.2
64.30999	1.1
73.02939	1.2
73.64161	0.8
76.58376	0.9
78.12874	1.0
80.54205	1.0
96.15663	1.0
109.06582	4.8
127.07652	7.1
142.63412	1.0
179.14398	0.9
181.12341	1.4
183.13895	39.7
195.13867	1.2
201.11327	2.1
213.14961	11.2
223.13454	1.9
241.14540	8.1
293.21216	6.9
311.22305	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	311.2231
Annotation	(plusmn)9-HpODE
Peak:m/z	Relative Intensity
50.39196	0.8
52.67522	0.7
52.89298	0.8
53.33837	0.8
55.83759	0.9
57.03440	0.8
59.01390	20.1
61.98846	0.9
63.49948	0.8
64.78646	0.9
67.50549	0.8
71.05004	1.4
75.33228	1.0
83.05020	1.4
108.72537	1.1
111.00934	1.2
111.08152	1.5
123.08138	1.2
139.11330	1.5
149.09760	1.6
151.11284	5.7
153.12825	1.8
157.08701	5.8
169.12413	1.5
171.10243	0.9
173.87054	1.0
188.37207	1.1
194.83376	0.9
195.10281	1.0
213.11270	1.8
231.10994	1.1
245.80675	1.0
249.22212	2.3
275.20343	1.0
293.21268	100.0
311.22324	97.5
315.66650	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00615	0.5
52.91872	0.6
54.13846	0.5
57.52753	0.6
59.01387	7.6
60.38568	0.6
70.20876	0.6
71.01363	1.0
96.95975	0.8
102.29843	0.6
113.13187	0.7
119.05023	0.8
133.02867	0.8
144.76358	0.8
149.02425	10.1
154.98137	0.9
163.99356	10.3
165.00150	97.5
166.00935	100.0
180.99774	9.0
181.03288	88.5
190.79257	0.6
197.29668	0.7
218.44154	0.7
225.02299	15.2
253.09360	0.8
269.04904	2.8
282.19604	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.072
Annotation	Sylpin
Peak:m/z	Relative Intensity
56.97597	0.2
59.01398	1.4
65.00365	0.2
78.32018	0.2
80.37050	0.2
107.22698	0.2
109.99468	0.2
111.15679	0.2
121.02946	100.0
122.03259	0.8
127.28739	0.2
180.05840	1.1
181.06590	4.7
225.05586	5.7
298.08698	0.4
313.07230	14.7
313.10593	0.8
313.20212	0.3
313.23788	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17701	0.3
59.01394	0.4
71.01381	25.3
72.99306	6.1
87.00877	0.5
87.04483	0.4
89.02443	2.9
92.11710	0.6
115.00365	64.6
116.00700	0.4
127.60842	0.4
133.01424	100.0
133.05075	2.0
134.01755	0.4
151.71979	0.3
269.19312	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78611	0.5
59.01381	7.5
70.07435	0.6
71.01382	43.5
71.59151	0.5
72.99290	1.0
87.00878	0.7
89.02443	1.0
111.04523	1.5
115.00371	28.1
133.01421	20.0
147.60271	0.7
149.06137	1.2
153.09218	100.0
184.30013	0.6
197.08212	29.4
255.24033	0.7
261.74158	0.6
282.61377	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1083
Annotation	7,2'-Dihydroxy-6,8-dimethyl-4',5'-methylenedioxyflavan
Peak:m/z	Relative Intensity
55.01884	0.3
59.01382	4.0
61.08899	0.3
72.99315	0.3
89.36578	0.4
101.02380	0.5
107.05015	1.6
109.02967	0.6
122.03742	0.5
133.05072	0.5
149.06079	100.0
175.04019	0.6
177.05566	0.5
203.03459	0.7
230.98096	0.3
236.33583	0.4
240.90817	0.3
268.03745	4.4
269.04456	0.4
313.07184	7.5
313.10846	18.6
313.14642	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1083
Annotation	5,6-Dimethoxy-3-(4'-methoxyphenylmethyl)phthalide
Peak:m/z	Relative Intensity
59.01391	11.0
61.92158	0.5
61.98848	0.6
72.44003	0.7
87.00891	0.8
87.04446	0.8
98.55717	0.6
106.70961	0.7
109.32195	0.8
111.32998	0.8
133.87425	0.8
147.60817	0.7
198.06914	1.8
211.07658	8.8
225.05765	0.9
225.09149	6.0
226.06462	1.0
226.09857	1.5
239.07144	22.0
253.08765	9.7
254.09480	100.0
269.11838	29.2
298.08423	6.3
313.10858	90.1
314.11279	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38124	0.3
53.39537	0.2
54.73108	0.2
58.02982	4.4
59.01387	100.0
61.98834	4.5
136.33331	0.2
164.07199	1.7
166.00914	0.4
206.08231	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	313.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11924	0.2
58.38875	0.2
59.01387	100.0
59.22956	0.2
60.01739	0.3
60.43550	0.2
71.01382	0.3
72.89777	0.2
80.22824	0.3
92.11655	0.2
103.33389	0.2
113.02467	0.3
114.38004	0.3
154.11052	0.2
188.97197	0.3
226.18164	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41567	0.2
59.01393	0.5
62.10908	0.2
71.01357	0.3
71.05013	2.5
78.25021	0.2
83.05033	1.3
84.02182	0.4
113.09696	2.1
125.09713	1.4
127.11282	2.9
139.11324	0.4
141.12837	2.2
146.71407	0.3
155.14479	0.7
171.10266	3.1
183.13934	0.4
197.09801	0.4
199.11380	0.4
241.16110	0.4
249.22314	0.3
251.23895	1.4
267.23340	0.4
293.21262	1.9
295.22772	4.2
297.15140	1.7
298.15707	2.2
311.22495	0.4
313.18265	43.0
313.23853	100.0
314.18463	2.6
314.24136	2.2
330.14841	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50433	0.7
52.22815	0.6
58.00598	3.5
59.01377	3.5
62.55656	0.6
65.47272	0.7
70.02276	0.7
70.07256	0.6
85.00219	0.7
99.08148	23.2
99.08782	0.9
127.07678	3.1
129.09216	20.8
173.67644	0.8
183.13898	40.3
195.13936	4.8
241.16063	1.2
269.21222	1.1
277.21744	3.8
295.22800	9.8
297.14948	1.7
298.15616	1.6
313.18118	58.0
313.23849	100.0
314.18539	5.1
314.24118	1.3
314.49445	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34757	3.5
54.82926	4.3
59.01371	22.0
61.98816	5.7
72.68577	3.4
84.33070	3.6
88.04018	4.2
90.72670	3.7
96.95985	5.3
103.22623	4.3
110.75350	3.7
114.05604	100.0
118.98061	16.0
120.99641	16.1
130.08723	8.7
134.03777	3.5
166.05103	13.8
169.09816	18.1
186.11371	24.0
199.10905	20.1
210.66042	4.6
217.00455	3.9
284.16495	5.0
314.07095	5.4
314.12683	29.7
314.17194	19.4
331.01541	3.7
332.00610	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	315.0723
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
50.21436	0.4
53.48564	0.4
59.01396	0.5
71.01369	1.1
73.02937	0.6
81.03443	0.5
85.02950	0.6
95.01388	0.5
108.02171	100.0
109.02958	24.0
113.02486	0.5
123.04549	0.6
133.03021	0.5
134.86427	0.4
152.01152	54.4
153.01939	17.5
159.24989	0.5
165.01996	1.1
212.49860	0.4
239.84976	0.5
315.07260	52.3
316.07510	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.1
71.01383	2.7
72.99306	5.6
73.23629	0.3
75.00867	44.6
79.02064	0.4
89.02432	7.8
115.00373	2.4
117.00771	0.8
117.01909	3.4
133.01414	2.5
134.01752	0.6
135.02991	100.0
136.03339	0.5
153.62663	0.4
166.84915	0.4
254.19806	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.109
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82847	0.2
58.93158	0.2
59.01384	1.1
64.00769	0.2
71.01384	16.7
73.02953	2.1
74.18221	0.2
78.52332	0.2
86.87340	0.2
92.62856	0.2
115.00373	11.2
135.08165	1.2
137.09721	7.4
153.09192	0.3
155.10788	100.0
156.11061	0.3
193.95538	0.3
199.09781	58.7
200.10130	0.4
236.13560	0.2
255.23274	1.5
315.10852	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.124
Annotation	Dalberatin B
Peak:m/z	Relative Intensity
51.13176	0.4
59.01392	9.1
61.98842	0.6
75.00870	0.9
101.31358	0.4
101.96288	0.4
104.16976	0.4
111.17002	0.4
112.79865	0.4
116.52627	0.4
118.43519	0.4
174.99294	0.8
190.98831	0.5
201.05620	1.7
202.06357	0.5
212.08534	0.9
213.05611	0.6
217.00354	4.0
227.07074	0.7
227.10789	2.5
228.08028	3.4
229.08685	0.9
230.09471	0.7
232.99777	0.8
239.07144	0.8
241.05057	0.7
243.10289	6.6
253.04976	0.6
255.06596	4.1
255.23309	6.2
256.07419	35.1
257.08130	0.9
267.06601	6.4
268.07385	2.8
271.09772	100.0
272.10257	0.8
282.09048	1.1
283.09805	12.3
285.07709	2.9
297.11392	0.5
300.10031	20.3
315.12418	78.3
316.12640	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.124
Annotation	Combrestatin A4
Peak:m/z	Relative Intensity
52.88546	0.3
59.01320	10.6
60.95567	0.3
61.98771	1.9
66.86197	0.3
72.97984	0.4
75.00800	0.6
167.07050	0.4
174.99170	1.9
180.07915	1.7
190.98645	0.9
192.82271	0.4
198.08972	5.0
201.05583	2.0
217.00278	4.2
219.84492	0.5
225.19258	0.4
228.07878	3.5
229.04965	0.4
229.08665	1.9
232.99760	0.5
239.07178	0.4
241.08774	0.7
243.10364	1.5
255.16185	1.3
255.23322	5.5
255.85094	0.5
256.07458	1.7
257.08231	3.6
267.06595	3.3
268.07330	0.9
270.05350	2.4
271.09827	3.2
271.13046	0.4
272.10419	0.6
283.09818	3.5
283.12378	0.5
285.07703	33.2
295.84912	0.4
299.09229	4.6
300.10049	100.0
301.10403	0.8
315.12430	65.0
330.17661	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1241
Annotation	Combrestatin A4
Peak:m/z	Relative Intensity
56.76159	0.6
59.01112	0.9
59.01391	21.6
62.44890	0.6
72.55196	0.6
74.97658	0.7
75.00856	1.6
78.99659	0.6
80.94057	0.6
81.91280	0.6
127.29590	0.8
133.93797	0.8
154.47939	0.9
173.06059	1.6
174.99251	3.8
190.98621	1.1
217.00356	5.2
255.06607	3.4
255.23216	9.4
270.05634	1.5
270.08957	2.8
271.09787	6.2
283.06204	3.0
285.07703	34.0
298.08392	1.4
299.09216	11.4
300.10037	100.0
315.12424	97.5
316.12891	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1243
Annotation	Monocillin II
Peak:m/z	Relative Intensity
50.28406	0.5
55.70979	0.5
58.53957	0.5
59.01384	9.0
63.09018	0.5
66.29578	0.5
84.44005	0.6
159.04520	2.4
171.04523	2.5
172.05284	3.5
173.06078	6.4
185.06091	4.0
190.98518	0.6
199.07635	2.7
201.09247	1.5
217.00301	3.9
227.07167	3.5
227.74887	0.6
232.99690	0.7
233.35304	0.6
241.08725	3.8
255.10318	5.9
255.23299	8.3
256.11005	0.8
257.36557	0.8
263.62384	0.6
271.13416	100.0
279.16068	2.6
315.12433	97.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1604
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
51.85365	1.0
59.01384	22.3
61.98825	2.3
62.92046	1.1
66.33180	1.2
77.36697	1.3
116.92793	2.8
157.06509	2.0
158.07365	38.2
159.08153	2.5
171.08186	5.3
173.05997	3.1
174.06743	2.0
174.99265	5.8
178.16724	1.6
184.08913	1.4
185.09726	43.8
186.06862	1.3
192.17944	1.3
199.07698	12.2
212.08429	2.1
213.09244	80.4
213.11302	2.7
214.10042	32.3
217.00325	10.4
229.12352	70.1
236.16713	1.3
255.23291	20.7
269.15384	3.3
285.11346	1.4
300.13690	25.3
314.18475	2.5
314.24207	27.1
315.16028	100.0
315.19073	6.2
315.24313	20.0
316.16367	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	316.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.8
55.05433	0.7
55.90638	0.7
59.01402	1.8
63.93025	0.8
71.01376	0.8
72.04530	1.5
73.02943	5.2
74.02479	91.5
83.05020	1.0
83.77911	0.8
84.04540	1.2
86.06120	30.1
97.06596	1.3
98.06122	1.6
100.00359	0.8
135.08159	5.1
136.07693	1.2
137.09724	33.9
141.83830	0.8
154.12314	1.0
155.10760	6.9
168.14026	5.8
180.13872	1.0
181.08719	7.1
192.13892	0.9
194.11890	10.0
199.09782	3.8
212.12968	18.9
236.12823	3.3
238.10864	8.6
245.35037	0.8
255.23300	1.1
256.11911	100.0
257.12247	1.3
280.11896	5.4
298.12927	3.6
316.14047	78.4
317.14453	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	316.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63477	0.1
59.01397	1.4
61.98842	100.0
66.77195	0.1
66.95551	0.2
84.28860	0.2
91.17348	0.2
94.93063	0.2
100.15829	0.2
132.14331	0.2
157.48225	0.2
172.40913	0.2
201.00687	0.2
256.23764	0.3
272.10196	0.3
285.07916	0.3
286.07944	2.6
300.10132	1.0
301.10388	9.0
316.12741	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	317.1032
Annotation	Evofolin B
Peak:m/z	Relative Intensity
54.64211	1.1
59.01380	2.4
61.98832	1.2
67.01878	2.0
69.08894	1.0
71.01378	1.4
81.31080	1.1
93.03481	1.3
95.01349	2.8
108.02184	67.7
109.02972	14.4
111.00894	11.2
121.02964	8.2
123.00879	53.3
123.04516	27.3
124.01665	32.9
125.02460	1.4
137.02477	1.5
137.04839	2.0
139.00368	1.5
147.00877	16.9
148.01662	7.2
153.05598	5.2
155.10838	1.2
162.03212	9.0
163.04030	7.8
210.81372	1.2
227.78812	1.1
231.11441	2.6
240.68369	1.4
257.04550	7.3
272.06934	23.4
273.12402	4.6
287.09280	100.0
317.10330	32.7
317.16718	2.1
317.19836	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	317.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03624	2.1
57.01232	2.1
59.01377	17.5
61.44600	1.8
61.98846	2.7
95.05038	3.1
96.95969	11.3
122.06116	10.5
123.03260	19.8
124.04067	3.2
134.06084	22.7
136.04037	56.9
136.07675	100.0
137.04689	2.3
138.05617	36.3
146.06111	4.0
149.04782	9.8
196.07692	3.2
197.08464	10.5
201.08000	9.4
208.84673	2.4
212.10818	22.3
215.09619	4.3
221.15968	2.6
225.06717	2.8
230.11856	10.8
240.09030	20.7
243.07700	3.0
244.08453	2.3
251.02644	2.6
255.11407	51.8
266.77783	2.7
273.12482	41.9
317.11255	19.8
317.19720	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	317.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	3.9
59.01389	100.0
59.63371	0.9
65.41301	0.9
71.01382	55.1
72.99298	4.0
73.02904	1.1
81.55452	1.2
82.54116	0.9
83.01369	1.6
84.98362	0.9
85.02946	9.8
89.02441	56.7
95.01386	2.0
95.26472	1.0
101.02435	15.8
113.02432	17.3
116.07183	1.9
119.03477	20.4
120.01236	2.0
130.08708	11.9
131.09044	2.1
132.04546	6.2
137.06033	4.0
166.48866	1.1
168.66843	1.0
179.05557	1.8
185.16568	2.5
186.16919	1.5
209.34679	1.0
242.18678	1.8
286.17789	1.6
308.11243	1.3
316.18707	6.5
317.19150	5.9
320.42114	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1398
Annotation	Zearalenone
Peak:m/z	Relative Intensity
54.82304	0.7
59.01378	3.3
61.55706	0.8
61.98829	14.9
73.82175	0.8
84.73349	0.9
87.46545	0.8
99.00847	1.0
114.21214	0.8
154.61275	0.8
156.50490	1.0
212.85995	0.9
221.07927	2.0
254.09462	2.0
256.11023	8.6
267.06769	1.1
269.08170	11.4
270.12720	1.6
271.13519	1.2
272.18442	0.8
273.12582	1.1
282.08990	1.2
284.10562	57.7
299.12808	0.9
315.12790	1.0
316.12665	1.1
317.13977	100.0
318.14090	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1761
Annotation	6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-3,17-dione
Peak:m/z	Relative Intensity
50.04168	0.8
51.97146	0.8
56.20571	0.9
57.03458	7.0
59.01385	12.9
61.98822	4.0
71.05028	10.3
73.04841	0.9
82.90572	1.0
83.05012	5.5
87.14985	0.9
111.04520	2.2
116.92810	1.4
161.13420	1.6
169.77499	1.0
186.10739	1.1
207.23048	1.0
234.97577	1.6
271.16904	1.0
273.18631	100.0
274.19052	2.2
283.26984	1.1
317.17609	96.1
331.23871	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25362	2.3
50.32742	2.6
57.03452	6.0
59.01388	62.1
61.98837	5.5
64.34900	2.9
67.01883	2.8
69.03453	2.7
71.01376	3.3
71.89172	2.8
73.04042	4.1
74.69240	2.8
77.40251	2.5
78.95905	13.0
81.03483	5.0
83.01392	16.8
85.02940	3.7
92.66327	2.6
93.03487	3.5
95.05052	5.0
96.36008	3.2
96.96003	18.5
96.96967	18.6
97.02934	6.8
102.05650	4.5
109.02950	32.9
113.02435	4.1
119.05054	5.6
121.02974	6.0
121.06541	25.6
123.04570	5.4
125.02447	37.0
128.03540	12.8
137.02444	100.0
138.03261	29.3
139.04012	2.8
143.11917	3.3
145.06534	3.8
147.04559	13.7
149.02466	6.7
150.31125	3.1
151.03990	3.2
159.04552	14.5
165.01958	16.4
166.02718	22.3
175.03989	5.1
187.03984	6.9
189.05638	4.6
203.03535	16.2
231.03036	21.8
231.06604	5.2
233.04610	3.4
241.06461	3.9
247.06058	4.9
257.04562	5.2
275.05634	23.1
305.01584	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	319.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87939	1.1
56.34327	1.2
57.32544	1.1
57.89051	1.1
58.02960	1.4
58.73248	1.2
59.01372	2.5
64.34632	1.2
70.02990	13.1
71.01392	10.0
72.00919	39.2
74.02475	13.5
80.08905	1.2
82.02978	2.5
84.04552	3.0
85.83298	1.5
86.02500	2.6
88.04044	1.7
96.00908	1.7
98.02454	2.1
99.00848	1.6
109.01698	65.4
110.02485	62.9
114.01958	8.8
114.39059	1.4
116.05058	69.0
128.03571	1.5
130.06615	7.1
142.06664	16.7
157.07713	10.9
157.33086	1.4
159.09280	11.8
186.05576	5.5
197.07222	2.0
203.08302	100.0
213.10320	5.4
215.08290	12.7
239.08273	5.1
257.09262	3.1
259.07382	1.6
283.07245	78.4
301.08273	22.3
313.72537	1.6
319.09344	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	319.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71202	0.9
52.20746	0.9
55.90314	1.0
57.92566	0.9
58.02964	2.5
59.01372	2.6
67.34991	1.1
70.02992	17.6
71.01373	5.6
72.00913	13.5
72.99323	22.9
74.02474	19.1
82.02967	5.5
83.32186	1.0
84.04562	4.3
86.02464	1.5
96.00896	2.4
98.02471	2.5
99.00878	8.7
109.01698	90.4
110.02481	92.6
112.00407	1.2
114.01985	15.7
116.05063	64.0
119.60830	1.3
128.03549	4.7
128.05054	1.3
130.06648	9.5
142.06628	17.6
157.07692	15.0
159.09230	9.6
169.07745	2.2
186.05556	5.3
195.09338	1.8
197.07195	5.0
203.08284	78.6
204.08536	1.2
213.10365	6.7
215.08281	1.4
221.07224	1.9
239.08253	6.0
241.06122	1.5
245.09383	1.9
257.09369	2.8
259.46243	1.4
283.07245	100.0
301.08334	35.4
319.09317	5.8
326.12064	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	319.1399
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01883	8.7
57.03436	5.3
59.01384	56.3
61.98837	1.8
71.01381	42.7
72.99319	1.9
73.02941	18.0
75.32959	1.1
76.95406	1.2
83.01388	14.3
85.02942	27.9
86.00082	2.2
87.00837	2.2
89.02428	7.5
89.02898	1.1
95.01350	2.9
97.02968	1.4
99.00859	7.3
100.59387	1.2
101.02427	48.5
108.68480	1.1
109.89826	1.1
113.02447	17.4
114.38764	1.5
119.03523	1.2
120.01220	5.3
157.08678	5.4
161.04536	8.9
196.98700	1.3
275.15005	7.3
295.90189	1.2
319.13995	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	319.1916
Annotation	(plusmn)alpha-CMBHC
Peak:m/z	Relative Intensity
56.00608	1.0
56.39302	1.0
57.03446	6.3
59.01105	1.4
59.01386	21.4
61.98822	1.9
71.05026	8.6
74.83964	0.9
83.05025	100.0
85.01480	1.1
85.60506	1.0
97.06569	5.8
102.40959	1.1
139.07666	1.6
152.58165	1.1
161.04491	1.4
171.26230	1.4
194.98170	2.5
257.19150	2.5
275.20251	7.9
319.19180	98.7
333.39941	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39672	0.2
54.82033	0.2
55.01884	0.5
57.03447	0.4
59.01387	100.0
60.01723	0.2
64.34023	0.2
71.01382	9.6
71.01756	0.4
71.07927	0.2
72.39304	0.2
73.02951	2.2
73.76830	0.2
75.50097	0.2
83.01394	1.1
85.02948	3.9
89.02441	2.4
95.01394	0.5
99.00911	0.9
101.02451	4.8
113.02438	4.4
119.03497	0.4
125.02512	0.4
141.01756	0.3
143.03481	0.8
159.03015	1.1
161.04559	15.2
179.05722	0.3
188.05649	3.1
234.38686	0.2
260.11594	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39704	0.3
59.01394	100.0
61.00043	0.4
69.53777	0.4
71.01388	9.2
73.02956	2.6
79.81111	0.4
85.02972	3.2
86.87201	0.4
89.02458	1.1
95.01369	0.6
95.77146	0.5
99.00919	0.7
101.02440	6.0
113.02428	4.7
161.04552	16.0
161.05861	0.7
169.43175	0.6
171.50487	0.5
172.63620	0.5
188.05669	3.8
221.20540	0.5
320.13547	0.6
321.84827	0.6
327.36063	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01113	0.9
59.01394	18.7
64.33727	0.7
66.04772	0.7
70.08542	0.7
71.01382	1.5
94.69716	0.8
116.02422	0.7
116.92802	0.9
120.48810	0.7
161.04587	0.9
184.96709	0.9
205.19472	0.8
237.10370	0.8
277.21732	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	320.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37170	0.5
59.01394	100.0
71.01368	2.8
79.95691	0.6
84.00164	0.7
85.02935	0.7
85.86789	0.5
101.02386	0.6
101.96365	0.6
116.41132	0.7
124.39028	0.6
141.01707	2.4
161.04587	3.7
288.59045	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04601	1.3
59.01387	100.0
67.85720	1.5
71.01383	49.7
72.81099	1.7
72.99313	3.2
73.02943	2.7
85.02959	8.8
87.00869	2.2
89.02439	69.4
95.01407	3.1
97.06552	11.6
101.02443	23.1
104.49791	1.5
109.02956	3.2
113.02451	22.4
115.07664	2.7
119.03484	27.9
120.99675	1.8
125.02448	2.5
131.03491	2.1
137.02376	2.6
143.03427	3.7
151.04033	1.7
152.90047	1.5
159.06660	18.6
161.04579	8.7
179.05620	56.7
261.33627	1.6
285.09805	39.1
321.10370	2.1
321.15619	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	321.0983
Annotation	Luisol A
Peak:m/z	Relative Intensity
57.03457	0.8
59.01111	0.8
59.01389	17.8
69.03464	7.7
69.71793	0.7
71.01385	3.2
74.44891	0.7
79.03728	0.7
85.02962	0.8
95.05016	6.5
97.02950	1.1
97.06564	1.5
107.05022	1.1
109.06599	1.5
114.38725	0.8
121.06570	0.8
139.07635	1.3
139.83931	0.9
141.01686	1.8
147.08138	1.2
147.87590	0.8
161.09702	6.3
170.00769	0.9
173.09709	1.5
174.06902	1.1
187.11290	12.1
189.09198	5.6
189.12868	13.6
200.08438	9.1
205.12354	15.9
206.29834	0.9
207.10272	3.6
215.10829	5.0
218.09528	1.2
233.11848	49.8
239.19539	1.0
249.11281	1.8
259.09753	1.7
277.10828	100.0
278.10983	0.8
321.06360	1.4
321.09818	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	321.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
71.01387	2.9
71.40907	0.4
89.02433	3.9
95.01419	0.4
101.02426	1.2
113.02475	0.8
119.03528	1.5
119.44887	0.3
179.05650	0.4
196.34325	0.3
205.00815	0.3
233.36568	0.4
238.72380	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15676	0.3
50.86136	0.3
52.10574	0.3
53.22375	0.3
54.57595	0.3
55.01884	2.1
56.41880	0.3
57.03459	1.8
58.00599	3.1
59.01386	100.0
61.98849	0.4
69.28316	0.4
70.43825	0.3
70.87332	0.4
71.01382	42.6
71.05016	0.4
72.99311	4.1
73.02946	0.9
76.14586	0.4
78.93346	0.4
83.01379	2.7
85.02950	9.5
85.06612	0.5
87.00900	0.8
89.02441	40.6
92.65252	0.4
95.01410	2.9
101.01763	0.9
101.02438	23.4
113.02449	15.2
113.09740	3.0
115.00445	0.4
115.42214	0.4
119.03490	15.2
126.57650	0.4
141.09225	11.6
143.03540	0.7
144.58879	0.4
149.04526	0.6
159.10278	4.3
161.04561	0.6
255.77425	0.4
259.88785	0.4
283.11841	0.4
321.15579	91.7
322.09360	0.7
322.16119	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82714	0.2
59.01388	100.0
60.01738	0.2
71.01378	1.6
73.02953	0.3
75.98579	0.2
77.18143	0.2
77.55619	0.2
82.49387	0.2
83.01405	0.3
85.02953	1.0
101.02468	1.3
113.02448	0.6
130.37372	0.2
136.99948	0.2
157.57861	0.2
161.04611	0.6
261.13452	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	321.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44257	0.7
59.01386	54.8
61.98831	1.8
68.96606	0.7
71.01378	1.9
71.01763	0.7
73.30241	0.7
75.00830	0.8
100.84821	0.7
116.92832	1.2
122.00964	1.0
133.00150	0.9
139.79434	0.8
141.01744	7.1
189.75606	0.9
213.14182	0.9
227.20186	5.2
239.20180	100.0
240.20451	1.2
254.82524	0.9
262.14795	0.9
277.25336	10.5
321.20490	23.1
321.24359	26.6
330.19446	0.8
332.66745	1.0
344.10690	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81996	0.4
56.96535	0.4
59.01385	27.6
66.46110	0.4
66.83620	0.4
67.31901	0.4
71.01379	1.9
71.36239	0.4
75.00848	0.6
86.33304	0.4
96.95979	0.7
141.01691	3.9
221.19136	0.7
239.20178	100.0
239.73064	0.4
240.20248	0.5
321.20520	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	322.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22709	0.2
57.94785	0.2
59.01393	0.4
60.51963	0.2
60.64410	0.2
70.03873	0.2
70.35431	0.2
72.99323	1.3
73.02912	0.2
75.00883	100.0
90.38248	0.2
111.27840	0.2
123.20294	0.2
139.62979	0.2
147.04567	0.4
159.48586	0.2
164.07167	0.4
213.28491	0.2
225.30519	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2025
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
58.02984	2.0
59.01376	1.0
61.98824	0.4
71.01392	0.2
75.00885	0.3
81.03474	0.3
92.12376	0.2
94.93144	0.2
95.05000	0.4
97.06593	0.3
99.04494	0.2
109.06606	0.9
119.50612	0.2
125.08014	0.2
128.10822	7.0
130.08733	100.0
165.12843	0.9
172.09850	0.2
194.54837	0.2
202.17957	0.2
322.20264	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25953	0.3
59.01374	2.5
61.89408	0.3
61.98822	0.8
64.66396	0.3
67.96850	0.4
75.00887	0.8
85.78445	0.4
116.92870	0.9
133.72795	0.4
210.94633	0.4
219.13901	0.6
274.78802	0.4
279.23300	100.0
280.23645	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	323.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00343	0.5
52.14021	0.3
54.99867	0.3
55.83499	0.3
57.03454	0.4
59.01387	4.2
61.98835	0.4
65.99872	0.5
68.01407	4.0
70.02974	4.8
71.01381	2.0
72.00900	0.6
72.99307	0.4
74.02465	1.7
75.00889	0.4
78.95887	2.9
79.21748	0.3
83.00164	0.5
84.00921	0.7
84.12295	0.4
85.02954	0.5
86.02473	5.1
87.00890	0.4
89.02439	0.6
96.96004	31.0
96.96914	3.8
99.00877	6.3
99.04516	26.2
99.05087	0.4
101.02452	0.8
112.00417	0.6
114.01965	100.0
114.38030	0.3
116.05051	3.5
122.06109	0.7
124.00400	6.9
126.01966	0.4
136.03932	0.4
142.06662	0.6
143.03494	4.6
150.05577	0.7
156.02965	0.6
159.05637	0.6
159.09314	0.5
159.45869	0.3
161.04686	0.4
163.05144	1.4
164.03433	0.4
174.04079	22.2
174.05588	0.8
179.08307	0.5
203.08307	7.0
263.06714	7.8
323.08865	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.1
60.01725	0.3
61.01808	0.9
61.98835	100.0
62.99334	0.2
64.34732	0.3
69.78982	0.2
77.15045	0.2
95.38531	0.2
107.11387	0.2
216.22725	0.2
223.49498	0.2
272.57245	0.2
284.71530	0.2
305.09897	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81756	0.5
58.00607	0.6
59.01395	100.0
61.98846	5.7
66.10165	0.5
71.01392	14.9
72.99325	0.9
75.00863	2.2
78.95905	0.9
79.95271	0.5
85.02959	4.5
87.00877	0.6
87.04506	1.1
89.02445	19.7
92.12328	1.9
93.72189	0.5
95.01408	0.9
95.28915	0.5
99.04500	3.5
101.02443	12.3
113.02454	6.3
115.04010	14.7
116.04327	6.6
119.03474	7.4
125.02481	1.0
125.06093	0.7
131.03491	4.1
142.05176	0.7
143.03505	4.5
143.05350	0.8
143.07112	4.2
152.35667	0.5
161.04594	2.2
179.05635	3.5
193.68102	0.6
200.58247	0.6
323.13507	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71544	0.6
55.01882	0.6
57.03455	1.2
58.00588	2.7
59.01388	100.0
66.83240	0.6
67.20593	0.6
71.01382	37.2
71.54553	0.6
72.99301	1.2
77.34654	0.8
83.01385	1.7
85.02956	7.4
89.02438	46.3
89.42535	0.6
95.01350	2.6
96.50230	0.6
99.08149	0.9
101.02437	25.1
108.60635	0.7
112.29489	0.7
113.02447	15.0
119.03493	15.2
124.41473	0.7
125.25813	0.7
143.03572	0.9
150.67516	0.7
161.04645	0.8
161.08229	1.2
179.05618	1.3
209.60577	0.7
323.13525	77.2
324.13782	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10923	0.7
57.03458	1.5
58.00592	1.7
59.01386	100.0
71.01382	42.6
72.99313	1.5
83.01427	0.8
85.02953	8.7
87.00848	1.3
89.02441	42.8
92.12371	1.6
95.01354	3.6
99.00848	1.0
99.40889	0.8
101.02441	22.1
101.60730	0.8
113.02449	15.3
119.03495	16.4
140.12575	0.8
157.70769	1.0
161.04567	1.1
311.74615	1.1
323.13510	77.0
324.13925	2.0
332.35019	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98827	0.6
71.01384	2.6
71.72956	0.3
73.02945	0.4
83.01389	0.5
85.02958	0.6
89.02464	0.6
96.96008	4.7
99.04526	0.4
101.02456	2.4
113.02448	0.6
143.03432	0.3
161.04640	1.3
192.40213	0.3
217.75336	0.4
241.14598	1.2
243.16205	0.4
263.14993	3.5
323.11920	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2231
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
51.47253	0.7
59.01385	9.9
61.01198	0.9
61.98830	2.0
68.86570	0.8
71.01382	3.4
77.43506	0.9
78.95921	1.0
89.02428	4.0
95.50538	0.9
96.64602	0.8
101.02433	4.8
106.94366	0.9
113.02457	1.0
121.02905	3.7
123.04516	1.3
139.11240	1.1
161.04550	1.8
165.09224	1.4
165.12798	1.5
170.27887	1.1
171.10257	1.1
221.15749	1.0
240.16902	0.9
261.22318	5.5
305.21249	100.0
323.22305	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.223
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37214	0.8
59.01366	4.7
61.98828	1.3
71.01380	1.0
85.06599	2.5
89.02449	1.0
92.11649	1.5
95.74246	0.8
101.02423	3.1
165.12901	1.5
193.15953	1.4
207.98894	0.9
237.14957	21.1
257.36908	0.9
291.19711	17.1
305.21301	3.9
305.57410	0.8
323.16476	4.2
323.22308	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	323.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.4
61.98839	2.0
70.91998	0.5
71.01388	0.7
89.02435	0.4
101.02462	0.5
102.55827	0.4
123.04469	2.2
137.06053	0.8
137.09767	0.5
139.11307	0.4
141.18210	0.4
149.74396	0.5
156.04324	0.7
165.09195	2.6
165.12859	1.0
176.63272	0.5
183.01187	2.0
189.12874	0.8
193.12297	0.9
198.08929	0.9
207.14003	0.6
209.02751	0.6
217.16029	0.8
225.14737	0.4
235.13525	0.8
261.22220	4.2
279.23312	0.9
287.20187	0.5
305.21240	100.0
306.21487	0.8
309.56506	0.5
323.16733	7.4
323.22275	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	324.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55278	1.0
55.01881	4.3
55.29492	0.8
57.03453	5.2
59.01387	50.0
61.98841	0.9
71.01380	48.0
72.99277	1.3
73.02956	16.9
74.95019	0.7
78.82170	0.8
78.95853	0.9
79.96079	0.8
83.01384	9.6
85.02950	24.7
87.00865	1.8
89.02441	7.9
92.11757	1.0
92.64900	0.9
94.37495	0.9
95.01386	5.5
99.00870	4.9
100.00386	0.9
101.02441	35.8
102.05598	40.0
113.02448	23.5
113.97785	0.8
115.00336	1.0
119.03506	1.7
123.10643	1.0
130.08737	22.3
133.01428	5.0
143.03517	1.8
159.02994	5.2
161.04562	28.9
261.90533	1.0
264.10901	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	324.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24983	15.5
54.83130	18.4
58.43362	13.6
59.01392	22.6
61.98820	100.0
63.24223	17.2
64.21485	19.0
66.02209	18.1
66.94561	14.6
67.94022	17.2
73.56918	16.7
101.19058	19.9
116.51074	18.4
116.92850	29.7
325.18607	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04626	14.5
59.01390	100.0
61.98842	33.1
67.53517	16.9
71.01363	28.3
73.23289	15.3
82.80649	15.0
83.51991	14.7
84.12183	14.4
85.02921	20.9
86.06279	14.6
101.02435	19.7
104.06028	17.6
113.02414	22.3
115.86005	17.7
129.30714	18.5
264.10889	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.2
61.98847	1.4
68.74658	1.2
98.31264	1.2
101.33078	1.3
107.50846	1.2
116.92831	1.6
138.46223	1.1
171.10323	1.9
182.11755	2.1
183.01227	21.5
191.07057	1.2
281.24884	100.0
325.18466	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.4
59.29707	0.3
61.35428	0.3
61.98820	0.6
69.61820	0.3
71.00984	0.7
71.01385	23.1
72.99308	5.2
73.56516	0.3
84.04529	0.6
87.00886	0.7
89.02446	4.2
92.73155	0.4
96.96928	0.6
101.02443	0.8
101.07214	0.3
102.05585	0.3
109.04110	0.6
115.00377	58.8
126.58360	0.4
127.05148	3.5
128.03528	2.4
129.58360	0.4
130.28120	0.4
132.03099	0.4
133.01434	100.0
133.57094	0.3
145.01456	1.9
145.05190	0.6
145.06198	15.5
145.58418	0.4
159.52144	0.4
173.95828	0.3
174.72218	0.3
178.72351	0.3
299.59512	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82777	0.4
58.02985	0.6
59.01365	0.6
71.01373	0.9
74.02456	2.3
82.02984	0.7
84.04530	5.4
89.02415	0.9
98.02489	0.6
101.07202	2.6
102.05620	0.8
107.09630	0.5
109.04083	8.8
115.00356	2.3
125.03583	5.1
127.05128	24.1
128.03520	11.2
133.01439	4.0
144.03046	0.8
145.06189	100.0
146.04584	4.6
176.87675	0.6
185.04933	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2023
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
54.82780	1.4
57.03377	1.5
59.01387	2.2
61.14755	1.2
71.01382	11.6
71.08034	1.4
72.02176	1.7
75.35236	1.3
79.44420	1.5
80.45405	1.3
83.05021	2.4
84.02145	6.8
84.58461	1.3
85.02947	2.1
90.05917	1.3
97.06568	3.2
99.08138	6.0
109.48656	1.4
110.26546	1.6
111.08177	1.9
115.07637	2.5
125.06213	1.6
125.09690	3.6
127.07631	19.9
131.64494	1.4
134.04744	9.7
137.43268	1.3
139.07632	6.4
148.40659	1.7
155.10701	2.3
163.11288	2.8
178.10071	2.7
185.11804	20.3
197.11827	23.8
201.11214	1.8
209.11845	71.1
238.12114	6.4
256.13281	2.7
279.19708	2.0
289.18155	8.4
307.19180	100.0
325.20236	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2175
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
59.01366	0.4
61.98822	0.3
71.71115	0.2
89.64726	0.3
108.90961	0.2
112.95328	0.3
120.55157	0.3
131.62917	0.2
133.06537	0.4
134.04727	1.3
149.09720	91.2
150.10088	1.5
163.11285	100.0
164.11632	2.1
183.01242	3.8
203.75647	0.2
247.91371	0.3
325.18494	5.3
325.21771	73.7
326.22183	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	325.2174
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
57.67365	0.5
58.99895	0.4
59.01372	1.3
60.08064	0.4
64.46519	0.5
74.13330	0.6
78.30600	0.5
133.06583	3.2
134.04674	4.2
149.09720	96.6
163.11288	100.0
164.11620	0.5
183.01202	9.1
197.02849	0.8
223.31718	0.5
271.41144	0.6
325.18362	13.4
325.21771	82.5
326.22076	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00057	0.1
58.99653	0.1
59.00743	0.2
59.01109	0.3
59.01387	6.2
79.87695	0.1
85.00730	0.2
92.02549	0.3
97.62556	0.2
107.03637	2.9
117.14639	0.1
125.92433	0.2
134.04727	100.0
213.86220	0.2
266.09021	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.0
60.49931	0.3
61.98832	1.5
71.01390	0.6
72.00530	0.5
72.00910	12.4
73.02950	0.7
78.91889	0.4
78.95894	1.5
89.02424	0.4
91.05506	0.7
96.96976	0.5
101.02453	5.4
113.02422	0.4
121.02979	0.4
128.03557	0.4
134.04709	11.3
134.05663	0.5
144.08153	0.8
146.04633	0.5
146.14215	0.3
147.04527	43.3
147.57887	0.3
148.04846	0.6
149.06094	0.5
161.04480	0.5
164.07176	100.0
165.07504	2.9
206.08263	0.6
214.80852	0.4
236.09166	3.3
327.08688	0.5
349.17346	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.124
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
58.99612	2.0
59.01368	10.7
62.28152	1.4
63.97018	1.6
75.00887	2.9
83.59609	1.6
88.62976	1.5
101.02399	1.6
101.87337	1.6
102.98569	2.8
109.02982	1.9
121.02939	24.9
134.04707	12.5
135.05070	2.0
143.97005	1.6
147.04527	6.2
163.03966	2.1
164.76842	1.7
175.04012	20.2
190.06425	1.6
222.05357	10.5
223.07652	9.3
232.83932	1.7
233.06033	6.8
239.07153	7.7
241.08626	2.1
249.05699	3.9
250.06412	2.0
251.07053	18.4
254.06070	1.6
255.05559	1.9
260.79550	1.8
261.05551	3.9
267.06622	12.1
268.07413	2.8
269.08191	20.0
279.06656	18.1
283.09790	7.6
294.08936	8.2
296.06866	2.2
297.07690	100.0
309.11282	21.9
311.09393	2.9
312.10095	47.8
327.12393	79.9
327.21817	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	327.218
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
53.58149	0.5
54.82996	0.5
57.03449	2.3
68.04788	0.6
69.03452	3.0
71.01376	0.7
75.68302	0.7
80.02661	0.6
80.55485	0.6
82.98604	0.5
83.05008	0.9
85.02946	8.2
95.05025	0.7
97.06575	4.2
125.09689	0.8
127.11324	1.3
137.09735	1.1
143.13197	0.7
154.55829	0.6
165.12878	1.3
167.14415	1.2
169.63925	0.6
171.10268	22.2
177.12894	1.3
183.13947	4.7
185.11847	1.0
193.12411	1.1
194.68117	0.6
198.45644	0.6
209.11896	1.0
211.11382	0.9
211.13405	26.5
221.11819	3.5
229.14449	16.4
239.12895	1.2
250.47498	0.6
285.38678	0.6
291.19757	3.0
309.20810	1.0
327.21805	100.0
328.22186	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	327.2181
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
52.95657	0.4
54.60925	0.3
57.03449	0.9
58.00357	0.4
58.00604	3.7
59.01382	5.5
69.03444	0.7
72.99291	0.5
83.05021	0.5
87.04516	0.5
97.06561	3.0
103.10335	0.5
111.08167	12.6
125.09758	0.4
127.07665	1.6
128.49010	0.4
130.79852	0.4
134.04715	0.5
137.09715	0.8
140.33679	0.4
151.11221	0.5
153.12878	0.6
159.71802	0.4
169.12328	7.1
171.10286	2.0
179.10838	0.5
181.12378	2.7
183.13937	0.6
185.11833	0.6
197.11841	51.6
198.12175	0.7
199.13390	8.8
211.13380	6.9
221.11850	0.4
227.13054	0.4
229.14371	0.6
239.16548	5.3
263.20236	0.5
291.19705	3.3
309.20752	3.1
327.21814	100.0
328.22049	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2181
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.18090	0.4
57.03445	2.2
58.00565	0.8
59.01368	2.4
59.18851	0.4
63.72092	0.5
66.46775	0.5
69.03444	0.6
71.01369	1.0
71.90155	0.5
73.02931	3.1
77.69988	0.5
81.85860	0.5
86.87975	0.5
97.06567	1.0
98.03712	2.4
99.08142	4.1
104.97640	0.5
113.09740	0.9
115.07639	1.0
123.08118	0.7
125.09724	2.1
127.07649	5.8
129.09215	45.9
134.04771	0.9
135.05203	0.5
141.09224	14.6
141.12860	2.8
142.12744	0.5
153.12842	1.0
155.10803	0.8
165.12915	0.7
171.10234	2.7
174.68031	0.5
174.99245	0.5
185.11835	55.0
186.12201	0.9
197.11845	50.4
198.12189	1.0
209.11829	7.7
291.19720	9.4
292.19986	0.6
300.43451	0.6
309.20749	13.6
327.21814	100.0
328.22058	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	328.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58253	0.5
53.21598	0.6
54.82801	0.7
59.01387	30.2
59.01685	1.1
61.98835	55.8
62.98553	0.7
64.34576	0.8
71.01385	29.5
71.61517	0.7
73.54043	0.6
76.14640	0.7
80.19209	0.7
82.88135	0.7
83.01408	0.8
85.02954	1.7
85.52837	0.8
87.00883	1.3
89.02443	32.8
92.12317	1.2
100.04012	6.7
101.02449	10.7
113.02450	7.8
119.03497	5.8
131.03496	1.0
140.40891	0.7
143.03441	1.2
148.04385	100.0
149.04527	1.3
161.04588	2.7
179.05553	7.6
180.06662	1.3
281.49536	0.7
307.60107	0.7
310.15805	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24133	11.3
53.61591	11.8
58.48028	10.7
59.01370	57.0
68.83974	11.3
74.56752	13.3
74.66989	11.3
98.93417	13.4
121.02914	100.0
122.03288	51.3
164.24738	13.0
170.91096	20.8
171.10214	13.6
174.99257	18.5
319.31946	14.1
327.22086	17.4
329.88138	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	329.0219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33590	0.4
59.01387	59.6
65.19043	0.5
70.86902	0.5
90.86199	0.6
115.02491	2.2
116.00211	0.6
117.00439	8.3
119.99127	0.5
124.00191	0.5
126.46227	0.6
126.98815	1.1
142.89389	0.6
143.01949	0.7
144.99962	1.2
157.03641	0.5
159.01505	100.0
160.01750	0.7
167.91888	0.5
168.99951	2.3
170.97858	0.7
187.00999	92.6
188.01328	0.8
201.02585	14.2
244.68407	0.5
274.30551	0.7
301.08505	0.5
311.01025	0.5
329.02277	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	329.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39277	0.2
53.94577	0.2
59.01385	0.2
61.98842	100.0
85.80222	0.3
86.55167	0.2
92.12319	0.3
116.08015	0.2
134.04788	1.7
135.05107	0.5
197.45790	0.3
218.17017	0.2
334.88242	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0881
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.57905	0.7
57.03454	0.7
59.01388	29.1
62.58144	0.7
64.75371	0.7
69.03450	0.9
71.01386	11.3
73.02962	1.0
76.04306	0.8
79.95740	1.2
80.96493	1.0
81.03462	13.6
83.01371	10.2
85.02946	1.7
85.06580	9.8
89.02437	11.9
93.03483	1.0
95.01378	1.6
95.05027	20.6
97.02917	5.9
99.04522	4.3
101.02441	7.3
113.02468	4.4
113.06094	2.0
114.05595	1.9
119.03498	5.9
121.02969	1.6
122.03739	3.8
123.04517	27.7
125.02438	23.6
131.07140	40.8
135.04587	0.9
137.02486	3.0
137.06088	23.6
139.04028	5.2
141.05521	1.0
149.06046	1.0
149.13255	0.7
151.00381	0.9
155.03542	1.0
165.05565	4.9
165.71118	0.8
167.03511	62.3
167.05981	2.9
177.05682	1.0
179.03510	11.7
181.05086	3.9
193.05069	4.9
206.02264	0.9
209.04590	100.0
221.04544	3.3
232.06055	0.8
239.05621	23.2
293.12466	77.7
329.08853	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1397
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
54.31472	1.1
59.01374	8.2
61.98828	8.3
62.14173	1.2
65.08380	1.2
70.16969	1.5
102.73856	1.2
108.45103	1.2
118.54361	1.4
121.02946	43.2
135.04530	6.6
147.04532	16.1
159.04497	6.5
184.05455	1.5
192.07838	1.9
196.05302	1.7
209.08011	1.5
212.04836	6.3
213.09288	1.4
223.07623	2.4
224.06952	1.8
226.06462	1.6
229.08783	1.4
239.07162	1.4
240.04326	7.3
241.08742	3.2
243.10214	5.8
251.07129	3.0
253.08714	3.3
254.05894	10.5
255.10220	2.4
269.08234	92.9
270.08575	1.8
271.09875	12.1
281.08212	16.0
283.09747	6.4
298.08310	2.1
299.09238	72.5
299.12637	2.5
313.10626	1.6
314.11636	74.3
329.13956	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	329.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37894	0.2
59.01371	0.5
59.67693	0.3
59.84729	0.2
64.60299	0.2
65.01888	0.3
72.00906	17.8
81.59541	0.3
82.95413	5.0
91.05510	1.6
96.95985	1.4
96.96960	0.3
108.02190	2.8
123.04493	0.6
146.06107	0.4
147.04523	51.5
148.04874	0.4
152.01158	1.9
152.72484	0.3
161.93210	0.3
164.07172	100.0
165.07515	0.6
167.03481	3.0
220.97122	0.3
245.75621	0.3
249.22734	0.3
312.73447	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1762
Annotation	Spiramilactone B
Peak:m/z	Relative Intensity
57.03449	0.8
59.01402	7.1
61.98826	1.1
71.01367	3.3
71.05022	0.7
73.02929	3.5
82.95426	0.9
85.02932	5.2
99.04490	1.2
111.04445	0.7
113.06083	0.9
121.02950	8.4
165.01941	4.6
170.91216	0.8
181.06572	1.6
186.95625	1.3
197.09763	5.1
197.13457	1.1
211.11226	1.2
213.12871	4.3
215.10754	3.5
223.11243	3.4
224.08554	1.0
228.11449	1.1
230.09557	1.6
237.12909	8.4
239.14391	15.3
241.12317	4.3
242.13110	0.9
253.12360	1.3
255.13930	13.4
257.15479	14.9
257.41635	0.8
271.13303	1.2
281.11673	0.9
285.14954	1.1
295.13354	1.6
296.14276	1.4
297.14844	1.1
299.12897	0.8
311.16534	9.1
314.15219	6.6
328.22223	1.1
329.17621	100.0
330.17996	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1761
Annotation	Spiramilactone B
Peak:m/z	Relative Intensity
50.50930	2.7
51.68098	2.9
59.01379	19.4
61.98831	6.4
83.04998	4.3
113.06081	3.9
175.11282	3.5
196.08891	5.8
197.09750	72.2
208.43294	3.4
209.09705	15.9
223.11342	6.8
231.10315	32.1
232.11046	31.5
237.12885	4.0
239.14406	21.6
247.13385	100.0
281.11871	56.9
296.14200	15.7
311.16537	80.2
329.17557	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2335
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
51.95337	0.3
54.81922	0.3
57.12434	0.3
58.00598	2.6
59.01379	4.7
60.67050	0.3
62.67511	0.3
70.40089	0.3
80.01913	0.3
83.61779	0.3
91.63956	0.3
98.75041	0.3
99.08142	10.5
109.07916	0.3
109.18066	0.3
113.09714	0.6
127.07658	1.4
129.09216	9.1
138.71846	0.4
153.12767	0.4
155.14374	0.5
165.92554	0.4
169.12349	5.4
181.12341	6.1
183.13904	2.3
193.12321	1.8
197.11884	2.9
199.13400	24.4
211.13412	16.0
227.12881	0.8
229.14497	2.5
231.21057	0.4
275.20145	0.6
293.21317	5.6
301.44855	0.4
311.22235	2.9
329.23358	100.0
330.23511	2.7
330.92041	0.4
350.45636	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2337
Annotation	Tianshic acid
Peak:m/z	Relative Intensity
57.03476	0.5
57.62367	0.4
59.01382	4.8
61.98837	0.9
82.95434	0.9
89.02438	0.6
97.06563	0.6
99.08154	1.0
111.08145	4.5
113.09743	4.4
122.00982	0.4
125.09771	0.6
128.90036	0.8
129.09227	0.8
135.11806	2.5
139.07657	1.9
139.11284	2.1
153.12860	17.1
157.08701	98.8
170.91075	0.7
171.10205	2.3
186.95668	1.1
187.09770	3.8
197.11893	0.5
199.09776	0.9
199.13446	1.0
229.14497	0.7
275.20212	1.7
293.21213	3.3
311.22293	9.3
329.23376	100.0
330.23737	1.1
349.18408	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2336
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
55.02293	0.5
57.03457	1.1
80.94067	0.6
83.53078	0.6
89.93211	0.6
94.73159	0.5
99.08144	7.2
125.09715	2.8
127.11292	6.0
139.11267	8.3
157.12361	0.9
161.25322	0.6
167.14430	0.7
171.10281	22.1
174.48665	0.7
183.13901	6.4
193.12370	1.4
208.29263	0.7
209.11832	1.1
211.13417	27.7
229.14497	15.1
229.22617	0.7
293.21072	0.8
298.62927	0.7
329.23380	100.0
330.23819	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93061	0.6
59.01382	1.7
61.58895	0.7
61.98824	2.9
63.84430	0.6
71.02500	1.2
73.04073	15.9
82.06627	2.9
83.02500	1.4
93.03402	0.9
103.05118	1.1
112.07661	0.9
120.93374	0.8
120.99627	2.9
129.10368	1.3
130.08723	100.0
131.09007	0.8
139.08800	3.1
140.07170	7.3
141.10338	5.5
143.11963	1.6
146.68854	0.8
169.09845	8.3
181.09813	1.1
182.08260	1.4
182.15511	7.3
186.12425	1.8
199.10928	6.3
199.18179	52.7
206.93216	0.8
207.88663	0.8
215.17667	0.9
243.17113	3.3
250.58723	0.8
256.20343	18.8
257.11877	0.8
269.93909	1.0
300.19296	13.0
301.10858	1.5
308.82169	0.7
312.19449	1.5
330.20380	81.9
331.11765	1.0
331.17493	1.2
331.20978	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0671
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
56.56572	0.5
69.03451	4.5
73.18173	0.5
81.03458	1.2
82.95409	6.4
83.01348	1.9
84.95107	2.4
92.12361	1.3
95.01419	0.7
97.02945	5.2
103.99754	0.6
107.01388	1.3
109.42237	0.5
123.00854	7.3
124.01636	23.6
125.02430	92.5
149.87657	0.5
149.99580	44.2
151.00366	3.2
159.87746	0.6
165.07521	0.6
167.03535	0.8
168.00633	84.0
169.01430	5.1
247.11223	0.7
313.05624	9.6
314.68311	0.5
331.06741	100.0
332.07022	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1192
Annotation	Nagilactone D
Peak:m/z	Relative Intensity
55.66039	0.5
59.01383	2.9
74.91018	0.5
88.33769	0.5
130.48793	0.5
145.06610	0.5
172.05214	0.7
211.04005	0.5
211.07680	1.1
225.77846	0.5
226.09987	19.5
232.74544	0.5
239.04726	0.7
239.07161	20.9
240.07539	0.6
241.12431	0.8
243.10068	0.6
254.09506	100.0
255.09964	3.6
269.11783	0.8
275.46658	0.5
287.12915	33.2
288.13373	1.1
316.02078	0.6
331.11926	90.7
332.12152	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33808	1.6
53.38572	1.9
59.01384	4.2
69.03454	14.7
79.93507	2.1
97.02940	64.3
130.61272	2.0
178.02454	4.0
191.03275	5.4
205.15950	3.2
210.01497	10.4
219.06488	3.4
227.03131	2.0
233.07967	2.1
249.15001	12.8
261.11121	38.8
262.11838	100.0
265.90726	2.5
294.10892	13.2
331.19028	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1918
Annotation	Carnosic acid
Peak:m/z	Relative Intensity
57.03449	1.5
59.01389	5.4
61.23831	0.6
61.98831	0.7
63.76711	0.5
67.12732	0.6
71.01373	8.9
71.05018	1.3
79.05513	1.1
87.04496	0.6
87.56387	0.6
95.04996	1.2
97.06570	1.2
99.08128	1.0
104.16148	0.6
107.05019	1.0
109.06587	0.8
113.06059	1.3
116.68703	0.7
125.06113	2.7
135.08174	0.7
159.11813	1.0
161.13359	3.3
167.14374	1.5
169.59245	0.7
220.14619	4.8
221.15463	7.6
229.15994	1.0
236.10501	6.0
241.15959	1.4
255.32463	0.7
257.19113	35.2
259.20639	10.9
276.86539	0.8
285.15024	0.7
287.20181	40.2
288.20505	1.0
293.17673	4.5
331.19177	100.0
332.19659	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73735	2.3
54.82507	2.6
59.01376	11.9
61.98839	2.9
61.99318	2.6
64.85817	2.4
64.97287	2.5
65.72810	3.3
67.83364	2.8
71.73241	2.4
79.71001	2.8
102.80346	3.2
139.65315	2.9
195.13843	11.2
277.21738	12.8
284.78793	3.2
295.22791	100.0
300.91870	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	332.1256
Annotation	Oglufanide
Peak:m/z	Relative Intensity
50.83387	0.4
53.92186	0.5
58.02969	0.5
59.01376	0.7
61.98826	3.2
64.34161	0.5
70.02954	0.7
72.00899	3.2
74.02474	11.9
82.02981	3.5
84.04531	3.2
85.04076	2.1
86.02460	0.7
97.04049	0.6
101.07191	2.6
109.00921	0.5
109.04063	1.3
112.04037	0.6
113.03548	0.9
113.07216	0.8
116.05063	25.5
117.25121	0.5
123.05609	1.3
127.05126	10.3
127.07622	2.1
128.03535	100.0
130.06636	0.9
141.06699	8.8
142.06627	7.3
159.09305	6.4
167.04619	10.0
171.06631	2.0
185.05725	6.0
186.05588	1.0
203.08299	35.5
249.26335	0.6
270.12482	2.2
314.11478	13.3
332.12555	8.0
352.36914	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03451	5.0
57.75633	4.2
59.01389	7.0
60.60144	5.0
61.56776	5.0
61.98832	48.4
64.33891	6.2
71.39355	5.1
73.12277	5.1
78.95895	7.8
89.32917	4.5
126.42277	5.9
152.99625	9.7
193.65916	6.1
228.11539	6.3
231.02141	5.3
256.11017	66.8
289.14221	16.6
333.06024	9.5
333.13531	100.0
335.94171	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30490	0.3
57.83537	0.3
59.01380	1.4
59.01682	0.3
59.68996	0.2
61.98818	0.3
66.43538	0.3
70.39629	0.3
74.69731	0.3
76.39970	0.4
78.95899	1.8
85.02953	0.4
92.11796	0.7
92.12356	0.7
96.96940	0.6
101.06060	1.6
109.06562	0.3
114.01710	0.3
116.05029	0.3
126.01956	0.3
127.07619	0.5
128.03537	0.6
129.05574	100.0
130.05919	0.7
152.99632	1.5
171.06613	0.3
182.24648	0.3
203.08257	1.2
224.26073	0.3
297.09866	0.5
333.06012	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	333.2075
Annotation	6beta,7beta-Dihydroxykaurenoic acid
Peak:m/z	Relative Intensity
52.98655	0.6
58.55247	0.6
59.01393	1.9
80.28388	0.7
99.74890	0.7
116.92877	1.9
222.08737	4.4
254.07761	0.9
255.17564	45.3
271.20706	45.1
289.21780	15.2
291.74179	0.7
295.47699	0.8
315.19727	1.7
333.20761	100.0
334.21027	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	333.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79093	2.2
57.93243	2.0
59.01107	4.2
59.01385	100.0
59.91404	1.9
73.85714	2.2
78.04993	2.4
78.67616	2.4
116.92837	4.6
147.61050	2.8
163.81178	2.5
346.50687	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	334.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33913	0.3
59.01386	2.8
59.98514	0.5
60.49118	0.3
63.40495	0.3
71.01389	1.9
85.02934	0.5
87.00876	100.0
88.00397	1.6
88.01213	0.5
88.04033	2.2
89.02412	0.4
91.51847	0.3
101.02433	0.6
113.02505	0.5
137.02489	0.5
161.04604	2.0
188.05672	0.7
236.16313	0.4
327.76135	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1777
Annotation	Gly Leu Phe
Peak:m/z	Relative Intensity
54.82436	0.8
58.85400	0.6
59.01380	1.6
59.80725	0.7
61.72144	0.6
61.80479	0.6
61.98843	2.3
63.31038	0.6
65.85846	0.7
67.95623	0.7
71.01383	0.8
72.00901	4.8
73.04068	30.4
74.12947	0.6
82.06609	1.4
83.02505	6.3
88.38724	0.6
91.05521	9.4
112.07693	1.2
114.38246	0.8
118.06672	2.7
125.39558	0.8
129.10342	28.0
130.08748	4.9
139.08772	6.6
141.10368	6.4
143.11871	0.8
147.03426	0.8
147.04515	25.7
164.07173	52.0
168.11470	9.8
169.09819	15.8
183.02922	0.9
186.12491	54.3
216.14026	1.2
233.16623	16.0
247.02893	0.8
290.18692	7.9
334.17773	100.0
335.17847	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	334.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38923	0.3
59.01388	100.0
59.88949	0.3
73.30407	0.3
75.34126	0.3
75.55244	0.3
78.69200	0.3
87.00861	0.3
96.25818	0.3
96.83115	0.3
101.06812	0.4
116.92869	0.6
134.29315	0.3
158.64722	0.3
211.21204	0.4
272.86209	0.4
277.09103	0.4
280.13782	0.3
292.21033	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0517
Annotation	2,2-Bis(4-hydroxyphenyl)hexafluoropropane
Peak:m/z	Relative Intensity
59.01377	0.3
61.98844	0.2
68.99571	15.9
75.30420	0.2
81.26012	0.3
84.24873	0.3
111.02528	2.8
161.02188	2.1
164.70316	0.2
169.04561	0.4
170.91176	0.2
176.98241	0.3
177.03452	1.7
187.05684	0.8
192.95937	0.4
195.04500	1.7
197.04146	2.1
198.04871	0.3
205.03000	1.0
215.05161	2.8
218.83115	0.3
224.02863	0.3
225.03648	3.6
227.03108	0.4
244.03409	3.9
245.04216	4.2
246.05002	0.3
265.04831	100.0
266.05151	1.8
275.03168	0.4
295.03885	0.4
315.04514	0.5
326.09827	0.3
334.20996	0.4
335.05167	31.2
343.24020	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36618	1.1
53.95851	1.0
54.11743	1.0
56.76165	1.0
57.03463	1.3
57.30559	1.2
58.02982	3.2
59.01390	29.6
68.61656	1.1
70.02970	10.3
71.01383	14.4
72.00907	5.4
72.99305	1.3
74.02473	7.0
82.02971	2.1
83.05036	1.7
84.04526	2.3
85.02948	2.2
86.02491	14.4
89.02436	8.1
92.05062	5.3
92.12320	2.1
96.00912	7.7
96.04544	7.7
96.45261	1.2
98.02477	21.7
101.02437	8.5
110.02477	9.0
111.08160	21.3
113.02452	3.0
114.01965	2.7
116.05045	1.7
119.03497	1.7
123.03258	1.6
131.03792	11.2
132.04555	100.0
140.03540	7.0
144.04549	9.9
149.87811	1.3
154.01494	9.1
155.10793	7.9
157.07684	13.2
158.06125	17.4
169.67429	1.2
173.08260	25.1
173.11792	1.4
175.08807	3.2
184.02493	3.0
201.06705	1.5
211.08820	1.6
213.06773	2.2
219.07813	27.6
227.08189	1.4
231.07715	1.8
273.08890	7.0
273.14987	1.5
275.06702	2.8
291.09860	1.6
299.06741	17.0
300.19229	1.5
317.07834	9.8
335.08820	21.9
335.17291	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.089
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98731	0.6
59.01383	2.7
63.36536	0.5
69.03459	1.1
70.02984	7.0
71.01370	2.2
72.00903	4.1
72.99308	22.4
74.02471	7.9
80.72503	0.6
81.94783	0.6
82.02979	2.9
84.04542	2.9
86.02486	7.6
92.05054	2.3
96.00906	10.1
96.04533	6.3
98.02477	17.0
100.00390	1.2
110.02471	7.7
111.00906	0.8
111.08150	7.2
112.00390	1.5
114.01941	6.1
116.03506	0.8
119.05843	0.7
120.04517	0.6
122.02489	1.1
123.00906	0.8
124.04062	1.0
126.01971	0.9
128.03546	2.3
130.06647	1.4
131.03761	3.7
132.04549	100.0
133.04936	1.0
136.07693	0.9
140.03526	3.8
144.04544	6.1
146.06085	0.8
154.01482	8.3
157.07719	7.7
158.06056	5.4
166.01483	3.3
167.06165	0.8
172.02588	0.8
172.04005	0.9
173.06985	2.5
173.08383	8.2
175.08800	3.0
180.06650	0.7
182.02298	0.9
183.05687	0.8
184.07706	1.1
197.04562	0.7
197.08235	0.7
201.06647	1.2
211.08780	2.9
213.06793	1.3
219.07764	15.4
227.08244	1.0
237.06699	3.9
253.06317	1.0
255.07732	3.4
271.07281	2.9
275.06674	1.2
289.08362	3.2
299.06775	21.1
317.07794	10.6
335.08844	21.1
335.14996	1.1
335.20950	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	335.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35559	2.5
54.82348	2.1
58.79787	2.3
59.01376	15.9
61.52742	2.8
61.98838	4.3
62.51627	2.2
62.63886	2.2
67.36005	2.6
67.73840	2.4
72.64454	2.3
77.46250	2.7
83.05035	3.9
111.08160	77.7
111.08885	4.7
125.02402	3.4
165.08495	3.0
173.06779	3.3
173.08183	100.0
192.02304	2.7
246.07651	3.1
298.42795	2.7
314.49829	2.9
335.13586	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	335.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69811	0.3
53.71782	0.3
55.74655	0.3
57.03457	3.1
58.00602	0.3
59.01387	4.9
61.98821	0.3
62.40676	0.3
67.87344	0.3
69.03453	0.4
69.65380	0.3
70.02967	0.6
71.01378	3.6
72.99307	2.2
73.02930	0.8
83.01357	0.4
83.05024	7.4
84.02169	0.3
85.02933	0.8
86.00481	0.3
96.00893	0.8
97.02951	0.4
97.06590	0.5
98.02458	1.8
101.02460	3.6
105.75323	0.3
109.06593	2.6
110.02509	0.4
111.08154	83.9
113.02407	0.7
113.09711	0.6
114.02054	0.4
116.05055	0.4
122.06087	0.6
123.08140	0.4
124.04028	1.7
129.09192	3.5
132.04539	9.1
135.08148	0.7
136.07654	2.3
142.25005	0.4
144.04538	0.5
151.07646	0.8
153.09213	9.7
154.01424	0.4
154.05130	1.5
155.07103	0.6
157.07649	0.5
158.06088	0.5
161.04466	0.4
173.08183	100.0
179.07132	0.6
187.09744	7.6
197.08199	23.2
215.09271	11.4
219.07753	0.8
237.06747	0.3
243.11308	1.9
245.10344	2.1
273.12466	2.6
275.11368	8.5
297.55585	0.4
299.06677	2.1
317.07697	0.7
335.08719	1.4
335.13159	2.1
335.20880	2.6
337.73676	0.4
355.07413	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	4.3
59.01389	5.5
59.72305	0.4
61.16473	0.4
61.98827	0.4
69.51028	0.3
69.70856	0.4
71.01382	3.8
73.02933	1.0
73.98666	0.4
74.02473	0.5
82.95368	0.5
83.05029	8.3
85.02935	1.9
89.02467	0.7
92.12292	0.9
92.65534	0.6
92.66153	0.4
101.02441	4.4
109.06599	3.1
111.08157	77.1
113.02441	2.0
113.06055	2.3
113.09699	0.8
125.02414	0.8
129.08374	0.5
129.09227	4.3
142.66190	0.4
153.09221	9.5
155.07187	0.7
157.05083	1.5
169.08766	0.5
173.08183	100.0
187.09755	7.9
195.61726	0.5
197.06372	0.9
197.08202	23.2
204.73480	0.5
215.09286	9.7
243.11511	0.6
245.10329	2.4
261.12335	0.6
275.11407	9.6
297.13443	4.9
312.63470	0.4
334.19739	0.4
335.13974	0.7
335.20911	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	335.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.8
57.03458	1.2
58.00602	2.7
59.01388	100.0
61.99391	0.5
62.20702	0.5
69.79536	0.4
71.01383	44.6
72.99309	3.0
73.02966	0.6
83.01393	1.2
83.60910	0.5
85.02950	11.2
87.00911	0.7
89.02443	48.0
95.01394	4.3
101.02443	23.2
113.02453	17.8
119.03497	21.9
131.03574	0.9
143.03558	2.0
143.10742	0.6
149.04623	2.1
155.10788	38.3
161.04604	2.1
179.05594	4.6
180.89401	0.5
188.23148	0.5
228.82153	0.6
241.30302	0.5
260.37701	0.5
268.90961	0.5
295.84958	0.7
335.17139	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	335.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49052	0.2
53.02842	0.3
57.91824	0.3
59.01389	26.5
61.98820	0.3
169.00835	0.3
205.77402	0.3
253.21750	100.0
254.22057	2.8
335.22119	18.2
336.22479	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82218	0.4
56.76474	0.3
59.01396	3.2
60.99322	12.7
65.92986	0.3
71.01411	0.5
75.89434	0.4
82.07973	0.3
87.00877	2.1
88.04060	0.8
88.98811	73.5
89.02448	100.0
92.11812	1.0
100.23345	0.3
101.02483	0.4
105.73892	0.4
128.07173	0.4
142.68779	0.4
164.07138	0.6
223.15535	0.4
250.26613	0.4
267.72171	0.4
285.75739	0.4
320.04797	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42035	0.2
54.81810	0.2
59.01390	4.2
60.99313	6.4
63.02839	0.2
63.39275	0.2
67.49544	0.2
71.01382	1.3
74.02491	0.5
83.01386	0.3
84.83518	0.2
85.02953	0.3
87.00874	1.7
88.00402	1.0
88.04025	3.8
88.98232	0.3
88.98803	34.5
89.02439	100.0
128.03493	0.3
128.07170	0.6
129.10396	0.2
142.03325	1.0
143.04614	0.3
161.04623	0.6
186.12502	0.4
290.12344	0.3
336.16132	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72794	0.4
53.52061	0.4
57.03432	0.4
59.01374	1.1
97.06576	1.2
108.04536	0.6
111.08212	0.5
113.09712	2.3
115.07619	1.1
125.06074	0.7
139.11310	0.7
141.09198	1.2
151.11298	1.0
165.12852	2.7
167.10764	0.7
167.14381	1.2
181.12369	3.4
183.13866	1.0
188.01146	0.5
193.12360	2.1
195.13959	2.4
211.13399	3.1
213.14955	0.9
220.66411	0.6
221.15427	2.0
229.14363	1.0
235.44637	0.6
239.13049	0.7
240.13609	0.9
247.20631	4.2
263.20169	0.6
273.18640	2.2
281.21313	1.1
291.16306	0.6
291.19669	32.6
309.20734	100.0
310.21149	2.4
329.25674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02987	13.9
58.83637	1.5
59.01148	1.4
59.01398	22.8
61.98830	2.3
67.61384	1.5
69.63068	1.4
70.03033	1.6
71.01354	1.8
72.00898	11.7
91.05505	3.4
98.06130	16.2
99.05635	35.5
115.05172	2.0
118.06609	6.4
118.21058	1.5
123.05614	3.5
141.06726	23.0
147.04530	38.5
147.05801	3.2
162.09206	2.1
164.07182	72.2
172.04425	5.9
178.59673	1.6
189.07059	24.5
203.11972	7.7
245.12988	6.7
251.12334	6.6
285.09146	1.7
293.13315	10.2
295.11282	3.4
337.12347	100.0
338.12558	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2389
Annotation	11-deoxy PGF2alpha
Peak:m/z	Relative Intensity
53.22769	0.7
53.54331	0.9
56.68834	0.7
59.01379	8.2
60.09571	0.8
61.98831	1.0
65.76010	0.8
71.42188	0.7
84.00924	0.9
85.17284	0.9
87.19453	0.8
95.23834	0.8
96.95963	1.4
115.49842	0.8
115.72033	0.8
162.63454	1.0
186.88480	0.9
194.66797	0.9
202.68327	1.0
206.62473	0.8
215.39676	1.0
218.28491	0.9
219.13850	1.0
224.53441	0.8
255.23164	1.4
305.21198	6.8
337.23898	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	337.3118
Annotation	13(Z)-Docosenoic Acid
Peak:m/z	Relative Intensity
59.01375	7.6
59.46592	1.1
67.85767	1.0
71.15290	1.2
202.96608	1.2
204.89461	1.1
228.38593	1.1
229.44402	1.1
255.23306	25.1
337.23904	4.9
337.31155	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	338.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68219	1.1
57.03449	1.8
58.02978	1.6
59.01384	2.2
64.67490	1.2
66.03504	6.3
66.76633	1.1
67.78934	1.1
70.30559	1.3
85.02956	2.1
86.02499	25.5
91.05526	9.8
96.04559	27.0
101.02497	1.2
106.13118	1.5
109.01703	11.6
110.02481	63.4
111.00887	24.5
116.05084	3.0
117.03441	18.8
118.06635	11.3
123.03264	90.5
126.01949	1.4
130.08752	1.7
147.04555	5.3
164.07195	1.7
168.04544	1.3
168.08192	2.2
169.06593	1.5
170.09749	1.7
171.08165	6.2
181.05351	2.9
186.09271	2.7
190.08759	39.8
196.07715	65.3
199.06410	3.2
212.07068	4.2
214.08789	65.4
214.15619	1.8
232.09790	15.8
234.07710	9.6
243.40092	1.4
257.52124	1.3
258.07727	100.0
283.38431	1.6
300.15622	2.1
302.06631	10.5
320.07813	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	338.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12107	0.2
59.01373	1.4
61.98830	1.6
69.51574	0.2
71.01369	0.4
71.19674	0.2
75.00870	0.2
79.22881	0.2
80.74889	0.2
85.02966	0.4
87.00836	0.2
92.05056	3.7
93.23681	0.2
101.02428	0.2
102.03481	1.6
112.80503	0.2
116.05109	0.3
118.02944	1.0
120.04546	3.0
123.03253	0.4
127.05100	0.3
129.01962	0.2
132.04541	0.2
138.51324	0.2
144.04585	0.3
146.02489	6.2
147.03273	3.3
148.04044	4.5
158.06104	0.8
160.04128	0.3
163.04080	0.2
174.01953	0.5
174.05568	0.4
175.02747	72.7
176.03528	100.0
177.03922	1.9
178.07062	0.2
186.05605	0.9
188.03563	1.3
202.05042	0.4
204.60318	0.3
207.05138	0.4
214.08847	0.4
214.67616	0.2
258.07617	0.4
275.10324	0.3
293.60907	0.2
338.08865	42.1
339.09106	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	338.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10612	0.2
55.75956	0.2
56.06010	0.2
58.07730	0.2
59.01389	100.0
61.98837	0.5
63.63017	0.2
71.01382	2.9
73.02947	0.7
83.01442	0.3
85.02953	1.1
89.02463	0.3
99.00857	0.3
101.02462	1.8
113.02473	1.6
123.68615	0.3
161.04588	3.2
196.42848	0.3
243.38835	0.3
258.07782	0.4
335.16458	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1764
Annotation	2-Dehydrodeacetylheterophylloidine
Peak:m/z	Relative Intensity
59.01379	5.4
61.98835	1.5
70.05536	1.1
76.56990	1.3
81.90725	1.2
89.53520	1.2
116.92830	1.6
119.82109	1.1
237.09412	1.7
266.09357	1.4
281.11899	14.0
283.17053	9.9
295.13452	7.0
296.14178	29.5
311.16562	100.0
312.17017	1.5
338.17657	81.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
59.37693	0.3
65.51649	0.3
67.18684	0.3
68.69923	0.2
73.50474	0.3
88.24786	0.3
97.06572	0.4
113.09743	1.0
115.07658	1.5
127.07655	0.5
128.08395	0.6
167.14426	3.1
183.13937	3.0
195.13919	10.4
211.13403	1.3
213.14929	1.3
242.15251	1.4
265.21802	0.5
267.23343	0.4
275.20227	0.4
293.21313	8.8
311.22327	100.0
312.22736	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29882	0.2
59.01383	0.4
59.52771	0.2
62.70792	0.3
65.29922	0.2
66.43331	0.2
73.57569	0.3
97.06578	0.4
113.09724	1.3
115.07645	1.4
117.86308	0.3
127.07611	0.6
128.08397	0.3
167.14456	3.6
176.20836	0.3
183.13905	3.0
190.10011	4.9
195.13910	12.2
211.13429	0.6
213.15001	1.1
242.15221	1.4
247.17076	4.0
249.22269	0.5
265.21771	1.0
267.23334	0.5
275.20181	0.4
283.22803	0.4
293.21280	10.0
311.22318	100.0
312.22742	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	339.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27290	1.0
51.70977	1.1
52.27617	1.0
52.80614	1.2
53.77100	1.1
54.82268	1.1
55.01888	9.3
57.03445	3.0
58.00586	1.2
59.01384	55.7
61.04795	1.1
71.01378	50.9
72.99257	1.6
73.02946	34.8
75.00869	2.1
83.01387	19.3
85.02469	1.5
85.02955	32.3
87.00863	3.1
88.11925	1.3
89.02437	12.3
92.11767	2.1
95.01353	2.4
97.02898	1.9
99.00871	11.9
101.02435	62.9
113.02440	23.6
115.03977	1.4
131.03522	2.9
133.01428	1.5
159.02948	7.7
161.04558	10.6
207.08748	100.0
339.12988	85.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06286	0.8
51.19676	0.7
54.82350	1.1
55.01897	9.8
57.03452	5.2
59.01396	54.9
61.98848	0.9
66.89159	0.8
69.03483	1.0
71.01389	46.2
72.99305	1.3
73.02953	30.0
74.53178	0.9
75.00853	1.6
83.01398	20.7
85.02956	25.5
87.00864	6.4
87.04495	1.1
89.02438	12.2
92.12383	1.3
95.01390	2.0
97.02921	1.5
99.00879	10.3
101.02441	63.6
113.02453	22.9
114.38586	0.9
115.03968	1.3
118.36568	0.9
119.03533	1.4
125.02389	1.8
127.00349	1.3
129.01903	1.4
130.26199	0.9
131.03462	2.0
143.03532	1.4
159.02968	13.0
161.04579	17.1
207.08762	100.0
339.12982	80.6
340.13651	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.233
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
50.79856	0.6
54.82291	0.7
55.27543	0.7
59.01394	3.1
61.98854	0.9
63.49585	0.8
70.20200	0.9
79.72610	0.7
85.46662	0.9
89.70644	0.9
92.11151	0.9
92.92794	1.0
101.02472	0.8
107.05014	1.1
109.24480	0.9
111.13889	0.9
116.92864	5.2
121.52953	0.8
130.90178	0.9
163.11290	77.1
164.11700	2.0
175.11275	1.7
177.12898	4.8
183.01222	16.5
190.10075	1.2
208.11075	5.0
209.81427	1.0
277.21713	1.1
279.22922	1.6
281.15436	1.5
282.16226	7.3
283.16983	6.0
339.19904	17.7
339.23395	100.0
340.23602	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2331
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
52.00235	0.2
59.46724	0.2
62.49665	0.2
63.18206	0.2
63.92289	0.2
92.45374	0.2
147.08215	0.5
157.27792	0.2
163.11290	100.0
185.44629	0.2
230.91885	0.3
254.37238	0.2
256.97247	0.2
339.23318	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02708	0.6
58.02983	15.0
59.01389	4.9
59.52153	0.3
59.63163	0.4
61.98832	0.5
66.03497	0.5
71.01387	2.4
82.06625	2.7
85.12916	0.4
87.05631	0.8
88.04041	0.4
89.02440	3.7
93.68904	0.3
97.04065	4.4
101.02413	0.7
113.02463	0.5
114.05603	100.0
119.03500	0.7
122.09756	3.6
130.08710	0.6
138.09366	0.4
140.07205	0.8
153.10371	4.5
155.11908	6.3
166.08734	18.6
179.05595	0.9
183.11389	10.5
225.12495	7.2
227.14005	0.7
254.18776	10.4
258.82205	0.4
296.19763	3.1
340.18820	24.6
340.21957	0.9
341.10895	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	341.1089
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
53.38089	0.8
57.03455	1.3
58.00605	1.8
59.01396	100.0
60.91331	0.9
62.40110	0.9
68.83102	0.9
71.01389	60.7
72.99310	2.3
73.02950	2.1
75.00859	1.1
83.01423	1.2
83.60024	1.0
85.02962	10.4
87.00871	3.9
89.02446	75.1
93.09364	1.0
95.01402	2.3
96.00905	1.3
99.00873	1.3
101.02436	31.9
110.95052	1.1
113.02454	21.0
114.05610	2.3
119.03506	23.9
125.02396	2.7
125.73260	1.0
131.03525	1.5
143.03528	4.8
149.04585	1.8
161.04547	11.2
179.05614	20.4
222.39198	1.0
259.78104	1.1
305.06610	1.5
337.15140	1.3
341.10922	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23180	0.8
53.27525	0.7
53.28241	0.9
57.03447	1.2
57.05658	1.0
58.00602	1.6
59.01386	100.0
71.00982	2.1
71.01381	60.5
72.99313	1.5
73.02939	2.1
83.01408	1.1
85.02955	9.3
87.00859	1.3
89.02441	74.7
95.01370	3.8
101.02444	25.6
105.09803	0.9
112.57756	1.0
113.02444	21.1
119.03490	21.3
121.81211	0.9
133.01385	1.1
139.47166	0.9
143.03497	4.9
161.04544	7.6
179.05617	23.0
179.81590	1.0
341.10901	36.1
343.63718	0.9
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	Unknow
Peak:m/z	Relative Intensity
53.95047	1.1
55.01885	0.9
57.03444	1.6
57.70358	1.0
58.00606	2.1
59.01385	100.0
71.01379	62.8
72.99293	4.5
73.02930	4.7
73.06730	0.9
83.01390	1.2
85.02947	9.8
87.00867	2.1
89.02435	68.9
95.01363	6.4
96.96935	1.0
98.53864	1.0
101.02432	32.2
113.02435	21.4
115.00375	4.6
119.03493	20.4
131.03499	2.0
133.01398	7.1
143.03548	2.7
149.04596	1.9
161.04579	11.0
179.05643	24.9
198.37949	1.1
272.02667	1.4
272.61575	1.2
341.10956	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.5
58.00593	1.5
59.01385	100.0
61.98830	11.1
68.94120	0.9
71.01382	58.6
72.61670	1.0
72.99301	1.4
73.02939	2.3
76.56845	1.2
83.01381	2.2
85.02954	8.8
87.00861	1.3
89.02438	73.6
92.11711	2.0
95.01382	2.5
96.95957	1.0
101.02437	27.4
113.02448	21.2
119.03490	21.1
125.02409	1.5
131.03476	2.2
143.03484	4.4
149.04547	1.5
161.04532	11.3
174.00171	1.0
179.05614	22.6
199.46217	1.1
265.90320	1.1
272.54596	1.1
341.10852	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3061
Annotation	21-hydroxyhenicosanoic acid
Peak:m/z	Relative Intensity
52.65466	1.2
55.01886	1.7
55.63472	1.4
58.88956	1.2
59.01370	3.5
64.44810	1.4
66.95189	1.4
71.01392	2.1
81.85844	1.9
89.02419	8.0
89.92903	1.8
92.11765	1.8
92.38310	1.5
94.21629	1.6
128.45888	1.8
173.13695	1.6
197.29962	1.8
281.24875	7.4
291.26791	1.8
293.28546	3.7
295.26736	2.5
295.30045	68.7
341.30627	100.0
342.30994	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	343.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	100.0
60.01733	0.2
76.70625	0.2
90.52753	0.2
104.10604	0.2
115.02527	0.3
116.71964	0.2
116.92846	0.7
117.00443	0.4
135.55608	0.2
136.93962	0.2
157.03563	5.1
159.01505	7.4
178.95073	1.3
178.97780	0.2
201.02567	74.0
202.02686	1.4
219.84122	0.2
258.58020	0.2
260.95374	0.3
281.15976	0.2
283.26416	0.3
284.95667	0.2
343.03610	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.4
57.03461	0.4
59.01389	100.0
67.45473	0.4
71.01397	3.5
73.02942	1.8
85.02951	1.0
89.02443	0.6
95.01391	0.4
101.02448	3.1
104.08385	0.5
119.05007	1.6
137.09738	0.5
137.92700	0.5
152.99637	0.6
155.08347	0.5
161.04572	3.2
163.04088	1.0
283.11948	2.5
283.26559	0.6
311.54514	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2128
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
57.03440	2.6
57.60430	1.4
59.01381	17.3
59.66647	1.5
65.33203	1.7
66.28860	1.5
67.19511	2.1
71.01376	2.2
83.05022	3.4
87.04510	3.0
92.41111	1.8
95.05054	6.6
97.06598	2.8
118.26052	1.6
138.31694	1.9
163.11360	2.4
171.10307	16.4
185.11760	2.3
185.14496	1.7
199.13483	2.9
201.02562	2.8
201.11317	2.3
209.11925	8.9
211.13408	9.7
229.14407	4.2
236.41425	1.7
237.14941	11.5
283.26331	2.4
289.18011	2.4
296.34766	1.9
323.11850	1.9
325.20309	2.9
343.17023	3.2
343.21277	100.0
344.21420	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2492
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
55.99266	1.5
59.01395	14.9
61.60727	1.5
61.98825	2.0
68.40899	1.5
72.95636	1.6
80.31233	1.5
92.11793	2.0
99.08143	7.0
121.10170	2.7
127.11435	1.7
171.10278	35.8
193.12360	12.8
201.02596	3.9
211.13451	3.5
225.15036	14.3
243.16039	2.9
264.12790	1.5
283.26404	5.9
299.16562	6.4
343.24948	100.0
366.39917	1.9
368.73596	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	344.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86320	0.3
53.63710	0.3
59.01384	7.1
64.34174	0.3
68.78455	0.3
69.03403	0.3
71.01374	7.2
71.44244	0.3
72.00898	4.3
72.99275	0.3
78.95891	63.1
79.95721	2.6
82.57613	0.3
83.01410	0.3
89.02428	9.0
96.95996	87.2
96.96947	100.0
101.02425	2.8
101.76594	0.3
105.96405	0.4
108.81532	0.3
109.50829	0.3
113.02467	1.1
119.03489	1.5
143.03566	0.4
147.04514	15.3
164.07158	29.8
179.05591	1.6
199.39471	0.3
266.00327	0.4
280.29004	0.3
356.32410	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.7
57.94732	0.7
58.00613	0.7
59.01393	53.0
61.98815	0.8
71.01395	21.9
72.99284	1.3
78.95910	58.0
79.95749	1.0
82.12032	0.6
83.01395	1.2
85.02962	5.4
89.01949	0.8
89.02446	18.2
91.08835	0.6
92.05074	5.0
95.01366	1.7
96.96003	57.2
96.96954	100.0
101.02436	11.6
107.09095	0.6
108.04538	1.8
113.02451	7.0
119.03462	5.8
120.04552	17.1
122.06113	4.3
136.04041	6.7
138.05597	29.4
164.03528	40.4
180.06644	3.0
181.91142	0.9
300.10968	9.3
302.20306	0.7
344.09903	44.6
369.15176	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1144
Annotation	Tecleaverdine
Peak:m/z	Relative Intensity
52.53343	0.8
54.05790	0.6
57.02683	0.7
57.38599	0.7
59.01386	4.2
64.34863	0.9
72.00918	13.9
72.98927	1.5
72.99309	28.5
77.04362	0.8
80.02284	0.9
89.74832	0.8
118.98087	8.2
119.05005	1.1
121.02953	1.9
132.64777	0.8
135.04517	0.9
137.06076	2.8
138.06471	3.3
181.05086	7.9
182.05449	7.3
183.08119	1.7
195.08109	6.5
208.08926	7.8
209.09743	20.7
210.84836	0.8
221.09747	60.0
222.10149	1.2
224.08530	1.1
225.09232	9.6
236.08473	1.6
236.10776	1.3
237.09227	24.3
239.07170	0.9
240.08087	1.4
252.07904	5.3
253.08742	7.3
254.11790	1.3
265.08752	14.2
270.09015	1.4
281.08176	15.2
282.11502	2.9
283.09869	1.8
298.10886	4.1
299.09164	7.5
300.49274	1.1
309.07776	6.9
326.10370	16.3
327.08676	6.4
333.06332	0.8
344.11426	100.0
345.11691	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	344.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34289	0.4
58.00573	0.5
59.01114	0.9
59.01386	18.7
71.01382	17.7
72.00533	0.8
72.00908	17.4
78.95905	12.3
85.02932	0.8
87.00850	0.5
89.02439	16.3
91.05526	1.0
96.95987	23.7
96.96947	20.6
101.02455	5.6
113.02432	3.2
119.03487	2.9
135.14667	0.4
145.16690	0.5
147.04523	56.4
149.04456	0.5
158.77858	0.4
161.04561	0.9
164.07175	100.0
165.07518	0.9
166.14560	0.5
179.05618	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	344.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	15.2
61.98834	8.0
68.05031	9.0
92.11730	8.5
217.07216	53.1
284.26807	11.2
285.13379	11.5
286.13733	13.1
301.16605	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	344.183
Annotation	Val Leu Asp
Peak:m/z	Relative Intensity
58.48487	1.9
59.01378	11.8
61.98829	4.9
64.59039	1.9
65.52064	1.8
71.01385	34.3
78.95901	4.0
88.04037	50.5
96.96004	29.7
96.96958	10.5
115.00358	45.9
115.08754	20.0
117.36583	2.1
125.78960	2.3
129.10345	8.8
130.08727	4.9
132.03012	11.2
147.04497	2.3
158.45818	2.2
181.08882	2.2
183.02823	2.2
183.15089	4.3
211.14520	10.2
228.17183	100.0
229.15550	35.7
229.17572	2.6
235.28128	2.0
281.18695	2.7
300.19293	19.0
344.18265	87.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68468	0.8
50.95511	0.7
52.40835	0.9
57.25134	0.8
59.01370	2.4
66.03493	1.4
70.02970	4.3
71.96882	0.9
77.80837	0.8
78.95880	1.1
81.02174	6.4
82.02979	1.9
82.06610	0.9
84.08194	1.4
87.05631	1.6
92.73331	0.9
96.00905	13.8
96.96011	2.5
98.02470	28.3
98.06068	1.1
109.01685	4.7
113.03569	11.0
114.01989	1.3
115.08765	1.2
116.07171	28.9
118.32490	1.0
124.07681	15.1
125.07179	2.3
126.05569	5.7
130.08728	66.8
136.48621	0.9
138.09247	18.2
139.08731	1.9
140.07210	3.6
151.08760	1.7
152.05971	1.5
152.07181	30.2
154.08774	1.3
154.93858	1.1
164.09470	2.0
166.08707	11.7
168.13904	1.8
183.15022	1.0
185.16611	12.6
188.95634	1.0
204.09084	2.0
211.14616	11.3
211.16350	1.5
213.08836	1.6
219.15044	5.2
221.16585	12.1
222.10117	1.4
229.15553	13.7
240.56627	1.1
247.14636	9.0
265.15601	11.6
309.14603	100.0
310.14926	2.0
326.17239	47.2
327.15564	1.5
344.18301	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1558
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
54.54689	0.7
55.01885	1.2
57.03469	0.7
58.00606	3.3
59.01390	100.0
60.18717	0.7
60.40164	0.7
71.01387	50.2
72.99290	3.6
73.02953	0.9
83.01340	0.7
83.88153	0.8
85.02956	13.3
87.00861	1.1
89.02441	57.0
95.01362	4.2
101.02438	21.6
113.02451	18.6
119.03510	19.6
121.02943	4.5
121.10221	26.6
125.11243	0.8
128.88791	1.0
131.03452	1.5
132.17326	0.9
137.84576	0.9
143.03497	3.6
149.04594	1.6
161.04549	3.5
165.01901	1.7
179.05630	7.3
190.44566	0.8
303.63272	0.9
338.12527	1.0
345.15610	20.8
361.78714	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.171
Annotation	Hanagokenol B
Peak:m/z	Relative Intensity
52.78646	0.4
54.82763	0.6
57.03442	0.6
59.01361	0.8
61.98830	6.1
87.04512	12.8
101.66602	0.5
103.45615	0.5
107.05019	0.7
109.06493	0.5
123.08176	0.6
129.47481	0.5
147.08232	0.8
149.09729	7.0
157.06557	1.0
160.08934	0.8
171.10269	0.7
173.09679	3.2
174.10524	0.8
175.11287	3.9
176.27652	0.6
184.08978	0.6
187.11322	0.8
189.12953	0.9
199.11281	4.4
200.28215	0.5
206.09465	0.6
213.12827	2.7
215.14513	0.7
227.14401	7.1
239.18001	0.5
241.16058	2.2
242.16650	0.8
253.12361	64.8
254.12569	1.1
257.19125	23.2
257.37247	0.6
264.30975	0.6
267.13690	1.1
268.14700	26.5
283.17065	9.1
285.14856	0.8
292.12540	0.5
301.18115	15.4
345.17093	100.0
346.17453	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	345.171
Annotation	CHEBI:67672
Peak:m/z	Relative Intensity
57.03440	1.1
58.89001	0.4
59.01370	2.9
59.99147	0.4
61.98833	0.5
63.79503	0.4
68.97198	0.4
71.05021	65.0
71.35440	0.4
71.91193	0.4
72.16254	0.4
73.02931	2.3
73.82225	0.4
83.05020	0.7
85.02937	2.0
87.98248	0.5
91.23905	0.4
95.52064	0.4
97.06573	0.5
99.04501	3.0
110.02126	0.4
121.02951	3.0
121.06562	0.7
134.75476	0.4
135.08156	0.7
149.09755	0.8
150.04942	0.6
153.09210	3.2
157.97142	0.4
161.13307	0.8
172.09918	0.6
175.11221	1.1
201.12967	1.1
228.11510	0.7
229.12329	4.7
243.17570	6.6
255.17595	2.9
269.15585	0.6
271.17056	39.4
273.18625	16.2
283.17120	9.1
301.18127	41.9
302.18408	0.6
345.17105	100.0
346.17252	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	346.012
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11028	0.2
54.85003	0.2
59.01389	26.9
60.01716	2.0
61.01800	0.4
61.98837	100.0
80.02927	0.2
92.65835	0.2
96.07841	0.2
157.03592	0.3
159.01544	0.4
159.03387	0.4
160.01666	0.2
161.01151	0.3
198.70816	0.2
201.02576	4.8
201.04152	0.3
202.02730	7.5
202.04521	0.3
203.02306	8.6
204.00021	32.9
204.02727	1.5
205.00255	0.5
353.52045	0.2
361.00385	0.3
366.19086	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88672	0.4
57.58193	0.4
59.01365	0.8
61.98841	0.4
62.54404	0.5
62.96409	0.8
78.95898	70.5
96.74312	0.4
96.95998	0.6
96.96953	18.3
98.95601	0.9
105.98092	0.4
107.03638	3.7
111.44627	0.4
120.96967	9.2
134.04720	52.3
150.41252	0.4
150.98093	0.4
153.33029	0.4
155.81209	0.5
160.61438	0.4
171.22826	0.4
211.00140	100.0
314.60324	0.4
346.05594	11.9
346.16571	0.7
355.15097	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
72.38491	0.2
75.03764	0.1
80.26630	0.2
80.41295	0.2
92.11682	0.2
126.93840	0.2
140.25183	0.2
163.66776	0.2
169.15691	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82465	0.7
57.71457	0.8
59.01377	5.9
59.58373	0.8
60.50270	0.8
61.98851	6.3
67.92011	0.8
71.01379	0.8
71.05019	16.7
73.02935	0.9
83.05022	4.4
92.12309	1.4
95.23093	0.8
97.37189	0.8
99.04523	4.0
111.08142	0.9
129.48666	1.0
149.09683	1.8
153.09215	4.5
245.19121	4.4
257.19193	3.7
273.18677	6.7
275.20114	1.9
285.18710	8.9
287.16483	1.3
303.19693	37.6
347.18671	100.0
348.18906	1.6
355.05563	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96339	0.2
58.96555	0.2
59.01359	0.3
64.12694	0.2
93.67112	0.2
94.04191	0.4
107.54305	0.3
108.71311	0.3
123.08150	0.3
133.06673	0.3
135.08153	0.5
143.52054	0.3
149.09731	1.3
177.09175	0.6
199.11320	2.7
202.52267	0.3
213.12798	0.4
214.09998	5.4
227.10831	0.3
227.14413	0.6
228.11551	0.5
241.12383	0.4
241.16090	2.5
243.17622	0.4
251.14517	1.3
253.12312	1.3
254.13142	5.9
257.19220	0.3
259.20676	8.8
267.13992	0.4
269.15479	61.3
270.15887	1.2
285.18613	63.9
286.19034	1.3
303.19669	13.2
329.17615	2.6
347.18655	100.0
348.19159	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	347.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	50.0
59.01372	9.3
62.64693	2.2
64.31201	2.1
78.40791	2.1
92.51189	2.1
99.00883	3.5
107.56422	2.2
168.12619	4.8
168.13945	100.0
209.15619	2.6
245.21155	2.4
304.19174	20.1
349.29608	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	347.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91892	0.6
57.26036	0.6
59.01386	21.9
59.10305	0.5
61.80825	0.6
61.98814	1.3
73.08501	0.6
85.75653	0.6
91.33617	0.6
109.46075	0.8
123.53900	0.8
125.18060	1.1
163.44786	0.6
188.17609	0.7
189.09422	0.8
265.21732	100.0
266.22113	0.9
347.18088	1.4
347.22009	21.3
347.26050	0.9
352.50009	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47705	0.2
55.22401	0.2
59.01385	1.2
61.98835	100.0
67.16515	0.2
78.08100	0.2
80.37373	0.2
154.71655	0.2
162.89810	0.2
368.91150	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.8
60.51476	0.3
61.98835	1.2
63.39735	0.3
68.72300	0.3
71.01376	1.1
73.02944	0.4
73.20364	0.3
85.02966	0.5
87.00874	100.0
88.39964	0.3
96.96027	0.5
101.02437	1.3
105.32624	0.3
113.02459	0.4
119.03020	0.3
134.19742	0.4
161.04581	2.4
177.05563	0.4
193.87526	0.3
268.65149	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95940	0.3
54.82420	0.3
57.03227	0.4
57.03458	6.2
58.00594	0.3
59.01101	0.4
59.01383	6.2
64.34344	0.3
71.01386	6.1
72.99291	0.7
73.02945	14.6
82.52783	0.3
85.02955	0.4
89.02405	0.4
101.02438	100.0
102.05599	1.3
107.06155	0.4
112.02244	0.6
120.99696	0.4
142.03453	0.4
143.26511	0.3
161.04588	1.2
205.19771	0.3
257.46982	0.3
276.72058	0.3
361.38489	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03418	0.1
59.01392	0.2
61.98836	100.0
69.19084	0.1
70.21291	0.1
77.23623	0.2
79.15484	0.1
82.52768	0.1
83.50236	0.1
113.49966	0.1
184.45949	0.1
270.38113	0.2
271.17157	0.2
285.15170	0.6
287.20319	0.7
349.20285	0.7
370.00928	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	348.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61576	0.2
58.00609	0.3
59.01393	100.0
61.98851	0.4
83.05030	0.3
108.87863	0.2
130.83376	0.2
183.14001	1.1
184.14252	0.4
202.69640	0.2
311.22299	2.7
312.22681	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	349.1873
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
52.19055	1.4
55.01890	1.8
56.12202	1.3
57.03464	1.2
58.00597	2.6
59.01386	100.0
61.98823	3.3
71.01384	39.8
72.99297	2.6
74.38734	1.1
76.75742	1.3
83.01368	5.4
85.02933	9.3
89.02448	39.4
95.01361	2.8
101.02444	22.9
107.74976	1.4
113.02456	14.9
118.99228	1.5
119.03506	12.7
169.12337	11.4
187.13405	5.8
202.10558	1.4
212.76643	1.4
236.97340	1.4
273.15076	1.7
308.48563	1.6
316.87582	1.5
349.18744	94.2
350.19189	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	349.2023
Annotation	Thromboxane A3
Peak:m/z	Relative Intensity
57.70805	0.4
59.01379	1.7
60.99316	0.4
61.58892	0.3
61.98838	46.4
62.55741	0.3
62.98537	0.4
63.99265	0.3
73.36794	0.4
79.05530	0.4
83.05032	0.8
85.61193	0.3
96.96024	0.7
98.03667	0.4
135.08179	3.8
136.07880	0.4
149.09654	0.4
157.14133	0.4
165.09206	2.0
169.42915	0.4
177.09247	2.6
179.10744	0.7
201.12915	0.5
215.14468	0.8
227.14507	1.8
253.16042	4.1
271.17075	31.6
277.07040	0.7
287.20209	61.8
288.20612	0.7
289.06998	0.7
305.21262	16.1
331.19159	3.1
349.20242	100.0
350.20587	2.0
367.54535	0.4
370.61194	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2025
Annotation	Flexibolide
Peak:m/z	Relative Intensity
51.85574	0.2
57.03193	0.5
57.03453	8.9
59.01371	0.5
61.98840	0.3
65.99490	0.3
79.31519	0.2
92.12354	0.4
111.84914	0.3
114.54291	0.2
123.42778	0.3
135.08157	0.6
188.31535	0.3
211.11372	0.6
213.12871	18.6
214.13274	0.4
238.07283	0.4
247.17064	1.8
271.17090	3.1
287.20203	50.3
288.20453	1.2
305.21237	15.8
331.19128	2.6
347.17990	0.3
349.20245	100.0
350.20615	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	349.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	94.4
61.98796	81.8
63.74373	81.2
72.94585	76.2
117.44955	92.2
132.24443	81.8
208.71107	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	349.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51071	0.4
59.01110	0.8
59.01387	17.1
61.98806	0.8
80.26875	0.3
92.92841	0.5
101.54134	0.4
104.18817	0.5
116.92832	1.8
127.83632	0.5
203.51161	0.4
220.24174	0.4
267.23325	100.0
268.23679	3.2
349.23666	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16890	0.2
56.26772	0.2
57.03455	0.5
59.01395	0.3
61.98834	100.0
62.42340	0.3
64.73656	0.2
65.86851	0.3
71.01392	0.3
81.03496	0.3
83.01382	0.4
87.83291	0.2
88.04049	0.4
91.84457	0.2
92.11671	0.3
95.05013	0.4
97.02944	1.2
109.02955	3.1
110.03297	0.6
116.07224	0.3
123.04514	2.6
124.04877	1.2
125.02442	2.3
126.02807	0.3
137.02458	1.5
139.04056	0.3
140.04329	0.3
149.02493	0.4
151.04025	0.9
152.04393	0.4
164.01152	0.3
167.03412	0.3
175.04073	0.2
176.04593	0.3
179.03528	0.3
187.04074	0.4
195.32230	0.2
203.07149	1.5
204.07500	1.1
206.05336	0.3
221.08269	0.3
245.08315	1.2
246.08649	1.1
289.07187	4.5
289.09903	0.3
290.07544	6.6
314.20944	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41758	0.4
59.01388	3.5
60.99311	16.2
67.29613	0.5
71.01392	0.4
80.58417	0.4
84.94288	0.5
87.00871	2.8
88.00407	0.9
88.01231	0.5
88.04043	1.0
88.98803	90.1
89.02440	100.0
93.38963	0.4
104.38546	0.4
107.52731	0.4
116.13471	0.4
144.29880	0.4
164.07146	0.7
230.58220	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74924	0.5
52.54387	0.5
59.01379	2.7
61.98840	100.0
70.53754	0.6
80.14140	0.7
86.76820	0.6
103.43929	0.6
121.02892	0.7
145.03773	0.8
192.95868	5.2
208.16162	0.6
285.14850	2.9
289.73862	0.6
302.23666	0.7
312.16083	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	351.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80390	0.5
54.82573	0.6
55.01893	1.6
56.58915	0.6
57.03454	3.7
58.00611	2.8
59.01392	100.0
61.30646	0.6
61.53761	0.7
61.98841	56.6
71.01385	44.8
72.16549	0.6
72.99303	4.4
73.02957	2.8
83.01396	3.7
85.02953	10.8
87.00880	2.8
87.04517	2.9
89.02440	49.4
95.01385	3.3
101.02443	23.1
106.77716	0.8
107.05022	1.7
111.08136	0.9
113.02438	16.8
119.03487	16.0
130.08745	1.2
131.03456	1.0
131.42758	0.7
136.07605	0.9
138.05621	0.8
139.03978	1.4
143.03488	2.7
150.60327	0.7
153.09189	0.8
161.04575	3.3
161.07266	1.3
171.10275	70.7
179.05611	8.0
189.11264	1.5
203.11943	3.0
214.44031	1.0
246.11426	1.0
247.10860	8.9
335.54440	0.8
351.16647	34.0
351.20871	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	351.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
71.01373	12.7
78.93402	0.7
83.01385	1.3
85.02928	1.7
89.02430	16.4
101.02437	7.8
113.02425	6.4
119.03474	8.6
122.37752	0.9
126.46031	0.8
143.03494	1.1
161.04570	1.2
171.10242	2.1
179.05627	1.7
203.60568	0.9
351.16614	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.0
61.98831	100.0
71.01374	0.4
77.01055	0.3
82.95509	0.2
89.86016	0.3
91.75962	0.2
171.10365	0.3
238.82634	0.2
342.39783	0.3
357.20425	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22578	0.7
59.01386	7.9
61.98838	3.9
66.45879	0.7
71.01398	1.2
72.00903	3.5
87.00905	1.0
89.58713	0.8
92.05074	3.3
92.12363	1.5
99.41428	0.7
101.02441	0.8
108.04565	34.8
116.05064	28.9
120.01255	1.5
120.04553	7.2
122.02492	3.0
122.06122	8.3
130.06616	11.8
136.04051	18.2
136.07693	1.6
138.05612	100.0
142.06628	5.3
146.03726	1.5
149.07220	0.8
150.05624	5.0
152.07153	3.2
156.06929	0.9
157.07707	30.5
167.06194	1.0
168.06941	4.9
169.07655	9.2
179.08293	40.1
191.08284	17.2
235.08191	4.2
236.09586	3.4
247.08803	14.6
248.09569	10.2
251.11758	0.8
258.08151	1.6
261.10294	7.3
263.11896	4.2
265.09644	4.7
266.10556	3.8
273.10373	4.8
274.11267	1.0
279.05325	0.8
279.11346	11.2
290.13104	4.3
291.11328	1.1
306.12613	1.0
308.14090	59.7
309.14331	1.2
316.18634	0.8
351.16702	0.9
352.13156	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	0.6
56.03585	0.5
57.03448	2.5
58.90710	0.5
59.01390	11.1
61.98828	0.7
69.61288	0.5
70.35609	0.6
71.01384	8.6
73.02947	3.0
73.94838	0.5
78.28899	0.5
78.41235	0.7
83.05025	8.0
85.02951	2.3
89.02440	4.4
91.56229	0.6
92.65776	0.6
99.00842	0.7
101.02457	4.6
109.06614	2.1
111.08160	70.5
112.08530	1.2
113.02457	2.5
129.09160	3.9
130.54335	0.5
152.87772	0.6
161.04590	0.6
166.06361	3.7
173.08189	100.0
174.08549	0.8
181.08688	1.1
198.06459	0.6
221.10303	4.0
270.83878	0.6
271.05249	0.8
279.28149	0.7
353.14804	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	353.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82722	1.6
55.01875	8.4
57.03445	6.3
59.01110	2.8
59.01386	61.4
59.94799	1.3
61.19837	1.3
63.50906	1.4
65.81020	1.3
71.00986	2.1
71.01382	66.0
72.99274	1.9
73.02944	41.8
75.00861	1.7
75.67613	1.3
83.01377	16.6
85.02949	39.6
87.00856	3.0
88.42310	1.5
89.02441	16.0
92.65612	1.6
95.01365	2.9
97.02957	2.5
99.00868	15.0
100.71215	1.6
101.01772	2.4
101.02434	75.1
113.02449	25.3
113.53019	1.5
125.02483	1.8
131.03482	2.7
141.78693	1.8
143.03529	2.3
159.03008	2.5
161.04533	18.4
199.52603	1.7
221.10323	100.0
222.10735	6.6
244.76277	1.9
353.14575	96.0
354.14899	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.1
57.03449	7.1
59.01107	1.8
59.01385	41.8
71.01384	51.6
73.02942	34.5
77.18198	1.3
81.57347	1.2
83.01400	12.6
83.01810	1.6
85.02950	25.4
87.00854	2.1
89.02419	10.0
91.09090	1.3
95.01398	1.8
99.00856	8.4
101.02435	62.1
113.02452	23.2
119.03459	2.0
125.02465	1.9
127.19641	1.5
131.03493	1.7
143.03499	2.8
159.03043	2.2
160.65068	1.3
161.04561	19.2
221.10316	91.9
299.26056	1.4
353.14557	100.0
354.14978	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	353.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66925	16.4
51.94771	15.0
53.95708	16.9
57.03437	16.3
59.01380	92.7
71.01369	40.8
85.02933	22.0
85.67442	15.8
92.65430	21.0
93.58337	17.2
101.02423	64.5
109.03530	22.3
113.02465	23.5
116.79615	18.7
160.30984	19.6
194.95601	30.4
221.10223	35.5
234.93880	19.7
353.14575	100.0
353.18658	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	353.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51997	0.3
51.71573	0.4
59.01383	3.3
60.29443	0.4
61.98824	0.8
62.40440	0.4
64.34619	0.4
71.01365	0.6
73.02955	0.7
79.95737	14.6
80.96478	0.7
81.10987	0.5
85.02892	0.4
94.98049	0.8
95.95225	3.9
96.96000	100.0
101.02448	0.7
122.97586	7.0
176.98270	0.6
183.17365	0.5
202.94794	0.5
221.10359	1.1
291.74149	0.5
353.20065	99.4
354.20276	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	353.2126
Annotation	Guayulin B
Peak:m/z	Relative Intensity
54.47978	0.1
55.91711	0.1
57.17907	0.1
59.01377	0.3
61.95160	0.1
65.61715	0.1
71.01390	0.2
71.32632	0.1
73.87238	0.1
99.33353	0.1
101.02464	0.2
107.05054	0.1
138.00270	0.1
147.08182	0.3
161.06015	0.2
163.11288	100.0
164.11612	1.6
177.09210	68.9
178.09581	1.1
194.05894	0.2
210.05205	0.1
221.10277	0.2
222.08997	0.6
296.13507	0.2
300.18082	0.1
330.63748	0.2
341.59839	0.1
353.21268	72.7
353.61011	0.2
354.21561	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	354.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89623	0.2
54.82550	0.2
56.89482	0.2
59.01392	2.4
61.98835	100.0
117.00298	0.2
243.14240	0.2
300.65576	0.2
301.19986	0.2
358.87726	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1042
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
51.82930	0.4
57.03445	0.5
59.01385	10.0
71.01384	6.3
72.99300	0.5
83.01382	0.6
85.02957	4.2
89.02428	4.4
101.02420	3.0
106.31647	0.5
109.02941	0.4
111.00857	0.8
113.02425	1.7
119.03464	1.8
121.02920	2.0
124.69925	0.5
133.02940	2.6
134.03728	100.0
135.04059	1.7
137.02429	13.6
139.03981	5.1
139.07661	0.5
149.04855	0.8
149.06073	24.8
150.03296	0.6
157.08713	3.3
161.06067	0.8
178.02715	48.0
179.03094	1.0
179.05644	0.8
193.05063	100.0
194.05405	2.8
253.42859	0.5
319.13989	21.2
355.09894	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71806	0.3
57.33356	0.3
59.01396	100.0
61.98839	0.5
70.02972	0.4
71.01393	0.3
72.00925	1.4
74.02482	0.4
85.02975	0.4
92.65063	0.3
92.75269	0.3
96.78271	0.3
109.01691	2.4
110.02487	2.9
114.02001	0.4
116.05051	2.6
142.06653	1.2
157.07700	0.5
159.09317	0.4
160.76250	0.3
203.08281	5.5
206.02338	0.4
283.07370	2.1
301.08444	2.0
319.09454	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1041
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
56.08028	0.3
59.01389	0.9
60.14130	0.3
71.01399	0.4
92.11741	0.6
92.65191	0.4
93.03448	0.7
101.02417	0.4
105.23727	0.3
106.04256	0.5
110.51073	0.3
111.00864	0.8
121.02934	2.1
124.23666	0.3
133.02957	2.8
134.03738	100.0
135.04092	1.4
137.02435	13.3
139.03998	4.8
144.16074	0.4
147.04550	0.6
149.06079	23.8
150.03235	1.4
178.02718	50.5
179.03108	0.6
193.05063	94.1
194.05394	1.4
355.09830	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79947	0.2
52.78378	0.3
53.57744	0.2
59.01395	0.3
79.09665	0.3
79.35930	0.3
84.93879	1.5
85.03849	0.3
85.68170	0.3
92.11698	0.7
93.22449	0.3
99.92582	48.7
100.92667	0.6
100.93344	5.1
115.92073	27.9
116.92857	100.0
117.92845	2.5
117.93599	0.3
127.95770	0.4
225.22273	1.2
255.23351	0.4
307.56992	0.3
311.16907	1.2
325.14874	1.2
326.15378	0.5
336.35526	0.3
343.15799	2.6
355.15866	61.2
355.44421	0.3
356.16010	3.8
369.13885	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98849	10.3
55.99157	10.1
57.03456	26.9
59.01381	81.3
61.98846	60.0
85.02963	92.7
89.74070	12.0
90.06491	11.7
91.98455	12.9
101.02531	14.2
127.06960	13.5
166.05299	12.6
191.02057	27.0
209.03015	17.4
253.12912	22.7
295.14014	100.0
349.26422	14.9
355.15625	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	355.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	9.1
61.98820	3.5
73.28201	1.9
78.58224	2.3
85.02950	13.4
111.73573	2.1
119.05009	27.6
121.02945	100.0
132.02391	2.2
146.78242	2.2
163.04030	12.2
181.06645	2.8
186.83357	2.4
199.13344	2.9
209.02992	2.9
239.16479	5.1
262.48260	2.3
270.05801	2.5
291.17526	2.7
311.09302	64.7
312.09381	4.0
355.08261	31.4
355.15979	4.1
355.24991	23.0
356.08545	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	355.2284
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
61.98821	1.3
76.44660	0.8
79.86462	0.9
85.02956	4.7
92.11734	1.3
107.05006	1.3
107.14899	0.9
109.02964	1.4
111.00900	1.0
116.92880	1.9
117.92905	1.0
120.11808	1.0
122.03759	9.6
135.04521	25.4
147.08162	5.5
149.06096	3.6
149.09735	11.3
151.07669	2.2
161.09717	15.7
163.07617	6.2
163.11293	71.2
164.08443	21.9
164.11574	1.4
165.09192	4.9
177.09215	93.6
178.09998	18.6
179.10783	70.2
183.10239	1.4
183.86673	1.0
187.11292	1.3
191.10794	10.8
193.08699	6.6
265.12396	1.5
279.13733	1.4
280.14749	4.9
298.15771	35.5
307.17105	1.7
309.22226	1.7
309.89435	0.9
321.18695	1.6
337.21793	72.9
338.22131	1.3
340.20468	100.0
341.20770	4.5
355.22867	56.9
356.23059	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	355.2286
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
59.01375	0.9
59.21991	0.6
61.98841	1.1
65.76923	0.6
92.12366	1.7
92.92780	1.1
102.96384	0.6
107.24730	0.6
113.57420	0.6
114.38775	0.8
116.92834	2.8
117.57177	0.7
126.83628	0.5
147.08142	3.3
161.09772	0.6
163.11255	3.0
193.46997	0.6
265.12329	2.7
280.14722	5.9
307.16992	3.2
321.18707	0.7
322.19293	1.1
337.21768	100.0
338.22058	4.0
354.18463	1.1
355.22629	1.3
356.97531	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.3218
Annotation	2-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
55.01874	0.7
55.92831	0.6
58.60692	0.4
72.60647	0.5
84.63939	0.5
104.16306	0.6
119.43046	0.6
154.20288	0.5
166.43097	0.6
186.93234	0.6
191.65984	0.5
253.56671	0.5
281.28375	1.0
305.28531	1.1
307.30023	4.7
309.31647	67.6
310.32101	0.6
337.31168	0.6
355.32190	100.0
356.32681	0.9
375.17966	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01080	0.1
54.82858	0.1
57.79416	0.1
59.01385	13.7
61.98830	1.3
63.99235	0.1
64.74499	0.1
77.69276	0.1
82.06636	0.2
82.14051	0.1
92.02534	0.8
92.12382	0.3
105.31073	0.1
107.03645	3.3
114.05569	1.7
119.95573	0.1
128.03502	0.2
129.70537	0.2
130.08670	0.2
134.04724	100.0
140.07121	0.2
161.06094	0.2
162.06430	0.3
180.10307	1.5
197.13013	0.2
221.91728	0.2
224.09439	0.2
241.11986	0.2
256.64981	0.2
293.12210	0.2
296.08228	3.7
356.18292	1.6
357.55725	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19890	0.4
59.01403	0.5
61.98834	100.0
64.34703	0.4
77.04005	0.4
95.26015	0.4
185.50325	0.5
190.48750	0.5
311.88614	0.5
347.11377	0.5
358.37979	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02888	0.4
59.01374	2.9
61.98832	100.0
69.89234	0.5
75.41378	0.5
121.02999	0.7
125.59650	0.5
128.78499	0.5
188.09497	0.5
205.78024	0.7
297.22256	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38454	0.3
54.00284	0.3
59.01394	0.6
61.98836	100.0
63.00038	0.4
75.82833	0.4
78.42376	0.4
84.85813	0.5
87.56026	0.4
95.55817	0.4
112.53773	0.4
115.09045	0.5
115.75925	0.4
116.92886	0.9
121.02956	0.8
125.31798	0.4
133.25661	0.4
134.04779	0.7
163.11282	1.1
179.10838	0.7
251.66577	0.5
251.69220	0.5
271.71707	0.5
288.10941	0.5
300.72003	0.5
324.57068	0.5
355.23248	0.6
356.23041	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01409	5.7
61.98836	100.0
62.18203	6.0
66.60556	5.5
72.12003	6.1
82.56185	6.8
120.36240	6.1
121.02980	10.6
125.01369	5.7
157.96622	6.3
158.39769	6.1
250.65804	6.5
302.27841	6.1
356.28912	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	357.1348
Annotation	Dehydrodiconiferyl alcohol
Peak:m/z	Relative Intensity
59.01388	14.9
65.85276	1.4
71.01387	3.6
73.02934	1.5
85.02951	3.7
87.00893	1.6
93.03452	2.2
96.96030	1.7
99.36997	1.6
101.02441	9.9
102.79179	1.4
108.02185	20.0
113.02459	2.1
116.88609	1.8
121.02956	18.2
123.04502	16.5
128.70987	1.7
145.02977	8.0
146.03703	2.3
147.04517	3.1
148.05304	7.0
149.02505	3.1
149.06097	9.3
150.03212	7.5
155.10866	1.9
158.03716	6.1
159.04474	16.0
160.05316	22.9
161.06078	3.2
162.03229	2.8
163.04036	3.4
163.06123	10.6
163.70634	1.7
174.03256	9.7
175.04005	21.9
175.07645	2.4
176.04814	2.6
177.05583	76.3
177.07126	2.8
178.06371	23.6
182.03722	1.9
187.04037	10.4
188.04782	14.4
190.06384	6.7
191.07225	12.6
191.08684	3.0
192.07899	8.1
192.95915	2.1
197.06317	1.7
203.07188	53.7
206.05904	15.3
207.08167	2.3
209.87915	1.7
210.05399	9.7
211.07779	1.9
212.27278	1.7
217.06638	2.3
220.07491	2.2
221.06107	6.0
221.08147	32.6
222.05380	6.1
223.07581	2.9
224.06741	13.5
225.09334	1.8
233.06126	7.7
235.07730	6.4
237.09157	3.1
239.07173	8.1
247.07513	2.5
251.07138	10.0
253.08676	8.3
261.05554	6.5
262.06451	3.1
263.07147	19.5
264.08005	2.0
267.06668	8.4
268.11197	3.0
269.08215	18.9
275.07199	2.7
279.06564	15.0
280.07428	7.4
281.08246	35.6
282.08823	2.2
283.09784	3.7
291.06778	12.3
293.08261	11.1
294.08972	7.9
295.09894	2.8
296.07144	1.7
296.10544	9.6
297.07733	79.0
297.13321	3.1
306.09021	2.5
308.10602	2.1
309.07819	92.4
309.11331	15.9
311.09375	2.8
312.10056	41.2
313.10690	2.6
323.09280	13.6
324.10059	43.4
327.12451	100.0
339.12408	77.2
357.13541	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78789	0.1
54.82599	0.2
59.01379	0.3
74.34688	0.2
78.95904	15.2
79.95733	2.3
84.46365	0.2
96.96008	100.0
96.96935	25.9
235.84161	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1986
Annotation	Glu-Ile-Val
Peak:m/z	Relative Intensity
58.96115	0.9
59.01394	9.6
61.98856	2.1
71.01383	6.0
74.02461	2.0
82.03008	1.1
82.06629	4.8
84.04557	19.2
84.08153	1.0
89.02438	4.3
95.01363	1.3
101.02434	1.8
102.05613	66.9
111.57701	1.0
112.03980	1.1
115.08759	19.8
116.07156	13.8
123.00877	34.2
125.07215	10.4
128.03539	100.0
129.10332	5.3
130.08752	11.3
137.02420	1.6
138.03235	51.5
140.07188	13.1
143.11920	2.6
146.04605	20.4
153.05566	19.9
154.12372	2.6
166.99847	8.3
171.15025	17.7
180.10486	1.4
181.13495	9.6
182.02205	34.0
182.08260	4.1
183.14993	9.4
185.16600	7.3
197.02747	1.8
197.04572	55.7
211.14548	24.1
215.14085	1.3
223.10898	7.3
228.17169	10.3
229.15591	50.1
254.18803	1.7
263.81897	1.2
270.21808	5.0
314.20911	11.2
358.19861	94.5
359.10034	1.8
359.19418	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	358.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.9
62.64527	1.0
66.03481	1.6
71.01388	2.1
74.02460	5.6
76.57790	1.1
79.95739	5.8
82.02973	6.8
82.06618	1.4
86.06112	1.5
96.04562	1.4
98.02470	5.3
100.04025	6.4
101.07188	11.0
109.59832	1.2
115.00359	2.4
116.07167	24.3
120.99619	1.5
122.09734	4.8
123.03244	2.9
126.05603	9.3
127.05135	8.4
128.03490	1.5
130.08739	94.6
133.01414	12.8
140.07170	2.6
145.06184	8.2
153.09242	8.9
153.10316	1.7
154.97046	1.2
164.98642	2.4
165.10400	1.5
166.08725	36.0
168.14073	1.4
180.10297	7.7
182.99702	5.0
183.11394	9.7
185.16589	31.5
195.14995	1.8
196.06134	1.4
197.12994	6.1
200.58862	1.1
203.71191	1.1
209.09370	7.4
210.07716	1.5
227.10414	6.5
229.15645	10.8
269.11462	1.7
270.21979	2.4
296.19800	7.7
340.18832	23.0
358.19888	100.0
359.13403	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	358.1989
Annotation	Asp Leu Leu
Peak:m/z	Relative Intensity
54.82624	1.0
57.03462	1.2
58.62583	1.2
59.01387	26.3
66.03481	1.2
67.07928	1.0
70.02962	2.7
71.01395	12.7
78.54842	1.1
78.84112	1.1
81.02204	5.6
82.02972	2.0
82.06668	1.1
83.01419	1.4
85.02944	11.6
86.69567	1.3
87.05613	1.3
89.02422	10.0
93.03470	1.2
95.01382	2.9
96.00913	10.8
97.02975	2.5
98.02462	21.4
101.02450	5.5
104.93956	1.3
106.02486	1.2
109.01692	7.1
109.06599	1.5
113.02441	17.6
113.03545	9.3
114.01987	2.3
116.07137	1.4
130.08730	100.0
131.04575	1.5
133.10228	20.2
135.08189	3.0
138.08224	1.5
138.09248	30.3
139.08817	5.8
140.07178	10.8
149.09654	1.4
151.11302	2.1
153.09204	29.7
161.03488	2.0
163.08804	1.6
164.09579	1.6
165.10399	1.9
166.08734	42.6
167.10786	5.0
168.10295	1.5
185.75760	1.4
195.10268	4.6
197.08258	17.5
198.98224	1.2
199.18182	10.3
204.09084	5.6
209.09395	1.5
222.10078	1.2
223.07428	1.4
225.16080	11.8
233.16611	8.3
235.18173	14.2
243.17130	12.2
255.12318	1.3
261.16144	12.7
279.17194	12.8
285.07626	2.3
315.02856	1.2
315.13678	1.6
323.16156	93.3
340.18790	49.9
341.17191	3.1
358.19800	23.7
359.13431	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03590	0.9
57.03462	1.2
59.01391	14.7
59.69333	1.0
61.98820	2.2
66.03492	1.1
70.02980	4.7
71.01369	7.2
81.02194	6.0
82.02963	1.3
82.06609	4.9
85.02929	5.0
87.05633	2.3
87.87797	1.2
89.02453	2.1
96.00905	13.7
98.02480	33.2
101.02441	4.6
108.96162	1.0
109.01675	5.1
113.02425	5.3
113.03574	10.7
114.01929	1.3
116.34379	1.0
119.03497	1.1
121.04092	1.5
123.87685	1.2
130.08728	87.8
133.10233	2.0
135.08182	1.3
138.09236	31.1
139.08780	6.2
140.07156	7.6
152.07207	1.4
153.09212	29.6
161.04581	2.0
164.09486	1.4
166.08736	35.9
168.10281	2.2
177.09174	1.6
190.11093	1.9
195.10278	1.4
197.08229	17.1
199.18152	4.8
201.43137	1.1
204.09125	1.3
208.19168	1.4
225.16161	9.1
233.16531	8.7
235.18216	10.7
239.09273	2.1
243.17068	6.6
261.15936	10.0
279.17163	8.2
299.11331	2.5
308.34412	1.1
323.16165	100.0
324.16470	1.5
340.18817	51.1
358.19882	16.7
383.79620	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66172	0.2
53.66275	0.1
54.48486	0.1
55.23563	0.2
59.01387	1.0
61.72511	0.1
61.98836	100.0
62.82873	0.1
63.60974	0.2
75.35666	0.2
78.91409	0.2
92.65298	0.2
123.05582	0.2
131.15083	0.2
133.01247	0.2
189.65543	0.2
217.00385	0.4
218.29599	0.2
245.37340	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01683	0.6
61.98835	0.7
67.41619	0.5
116.92850	1.2
134.89470	1.2
164.47496	0.6
203.59436	0.7
219.19690	0.7
298.27444	0.7
315.71194	0.6
340.00638	0.6
352.86465	0.8
356.97192	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67517	0.2
59.01389	100.0
60.68085	0.2
88.53976	0.3
90.97150	0.4
91.64509	0.3
98.19505	0.3
114.98858	3.9
132.98189	2.5
134.97052	0.4
156.90880	2.0
156.99915	5.8
157.01140	0.3
157.03552	2.3
159.01506	2.4
173.32388	0.3
174.99251	27.2
198.91974	1.7
201.02571	24.5
202.02728	0.5
217.00319	74.4
218.00583	0.4
223.33585	0.3
276.98322	0.5
299.01114	2.1
359.01569	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.099
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
54.88972	0.4
59.01145	0.4
59.01387	7.9
59.91633	0.4
62.93795	0.4
71.01382	6.6
73.02958	0.8
79.61289	0.5
81.03448	0.5
83.06623	0.5
84.45126	0.4
85.02946	1.1
89.02447	5.0
93.03451	0.7
95.01394	4.4
96.96001	0.5
96.96951	0.9
98.69471	0.5
101.02434	3.2
106.28948	0.4
108.34607	0.5
113.02467	0.7
115.22518	0.4
119.03471	0.7
123.00877	67.6
128.03586	0.5
130.08644	0.7
137.02428	3.3
138.03227	84.5
140.29707	0.5
153.05574	23.1
166.99847	18.3
179.05608	1.9
180.71323	0.5
181.01453	0.7
182.02216	56.7
194.92751	0.5
197.04567	100.0
226.90109	0.5
359.09879	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08655	0.6
53.60600	0.6
53.92936	0.7
55.01884	0.7
58.00599	1.8
59.01386	100.0
61.25685	0.7
69.31357	0.8
71.00986	1.2
71.01379	33.3
72.99317	1.3
73.02934	0.9
78.95927	0.9
82.35830	0.8
82.99474	0.8
83.01393	0.8
85.02951	6.8
87.00875	0.9
89.02441	38.7
92.12363	0.8
92.56438	0.7
95.01394	1.4
96.95998	2.9
96.96936	1.0
101.02430	16.6
113.02449	13.2
118.99686	0.7
119.03521	14.7
119.05016	24.6
131.03471	0.9
137.06163	0.9
138.05606	7.2
143.03474	1.7
149.04579	1.1
161.04572	3.3
179.05621	6.4
181.72499	0.8
187.24112	0.7
201.02948	0.8
217.00328	1.2
245.92784	0.7
275.82117	1.0
299.11380	22.7
300.10983	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34711	0.4
55.01896	0.6
57.03467	0.7
58.00610	0.7
58.13538	0.5
59.01387	100.0
61.30507	0.5
61.98824	3.0
62.04762	0.5
62.84768	0.5
69.03442	0.8
71.01382	31.3
72.99303	1.0
73.02934	0.8
78.95938	0.6
83.01374	0.8
85.02947	7.2
87.00889	2.1
88.04058	0.6
89.02441	41.0
95.01397	2.2
96.96015	1.1
101.02440	16.6
113.02442	12.1
115.00351	0.6
119.03508	17.5
119.05006	20.9
125.02467	0.7
131.03534	0.8
132.03011	1.2
137.02371	0.6
137.06181	1.8
143.03555	2.4
149.04564	1.0
153.05695	0.6
161.04526	2.3
179.05649	6.3
188.07214	0.6
299.11407	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	359.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55938	1.5
51.31117	1.5
51.78360	1.7
55.01883	2.4
57.03445	7.8
58.00594	2.3
59.01385	68.9
61.98833	2.1
71.01382	43.6
72.99283	1.9
73.02950	7.9
78.85791	2.0
80.21080	1.7
83.01373	2.8
84.41839	2.0
85.02473	2.5
85.02951	56.3
87.00848	1.9
89.02441	26.7
91.05528	2.4
95.01379	10.3
96.44102	1.6
97.02927	13.9
98.02491	1.9
101.02436	21.5
109.06551	8.8
111.04436	2.5
113.02436	69.2
117.07019	2.5
119.03501	3.0
128.80846	2.0
130.08763	17.6
131.09065	2.8
133.10226	85.6
134.10561	1.7
135.08116	12.9
143.03474	1.9
146.06140	2.2
149.09671	4.0
151.11288	9.1
153.09212	100.0
153.10458	3.8
161.04527	8.5
163.11223	2.0
166.08723	3.5
167.09517	2.0
167.10721	15.1
177.09204	3.1
195.10208	22.7
197.08195	54.0
228.99934	2.3
239.09230	7.3
243.11333	2.4
257.34128	2.5
265.46884	2.1
285.07623	2.2
315.13849	8.4
323.16193	6.8
324.16458	11.6
340.18820	2.4
341.19064	7.6
359.13416	9.8
359.20392	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.6
59.01120	1.5
59.01390	36.6
70.74257	1.1
71.01385	15.9
72.99303	1.3
73.02937	5.0
81.03452	1.5
85.02950	15.5
87.04489	1.5
89.02438	9.1
95.01337	1.6
95.05017	1.6
97.02920	5.5
97.06618	1.2
97.30731	1.2
99.04498	8.3
101.02396	3.1
107.08647	1.7
109.06608	2.3
110.02497	9.5
111.04499	1.3
113.02435	6.0
113.06062	1.5
123.04568	1.5
133.10240	15.1
135.08174	10.9
147.14409	1.2
149.09740	6.3
151.07672	1.6
151.11288	7.2
153.09212	100.0
163.50319	1.3
167.10759	8.1
177.09222	12.3
179.07140	2.8
193.08485	1.2
195.10313	12.1
197.08214	65.9
197.11847	1.4
225.11479	1.9
235.08614	1.8
239.09262	27.6
256.93411	1.3
269.10330	7.1
299.11407	25.3
315.08801	5.8
317.19534	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	359.1504
Annotation	Piperphilippinin VI
Peak:m/z	Relative Intensity
54.80336	0.8
54.83077	1.1
59.01381	5.9
61.98828	1.5
68.07538	0.8
80.18849	0.9
89.02447	1.8
101.02328	1.0
113.17346	1.0
121.02953	27.2
121.06593	2.0
123.04494	1.1
132.74037	1.3
134.95921	1.0
135.04526	25.1
142.34767	1.0
145.02948	2.3
147.04544	7.4
149.06075	7.6
150.03189	8.8
159.04503	1.6
165.05527	1.6
179.07158	18.8
180.07927	43.8
180.09488	1.8
181.31879	0.9
187.20944	1.0
192.07814	1.7
195.10240	2.2
208.07446	8.0
211.04044	1.1
211.07745	1.2
212.04935	3.5
212.06848	1.9
222.06895	1.0
223.07761	2.3
223.09755	35.3
224.04794	6.0
225.09227	1.3
226.06430	1.3
226.08476	1.9
227.10834	2.1
228.81429	1.2
238.06401	5.7
239.10820	1.5
240.04285	4.1
241.08713	6.7
243.10220	1.9
251.07092	2.1
252.04305	1.4
252.07835	1.5
253.08730	3.9
254.05894	6.7
254.09390	1.7
255.10216	9.4
263.07288	1.7
265.08740	1.2
266.05811	4.9
267.10138	1.4
269.08237	65.3
269.11423	4.1
270.12561	1.1
271.09879	9.9
281.08234	11.4
282.08987	2.0
283.09796	43.4
295.09732	6.2
296.10440	1.2
297.11182	1.5
298.08359	1.6
298.12100	3.8
299.06064	2.0
299.09299	58.7
300.09927	2.2
309.11292	1.2
311.09308	71.1
312.09500	1.5
313.10770	1.5
314.11664	57.0
314.15323	1.9
315.11914	1.3
325.10941	8.0
326.11615	39.5
329.13995	100.0
331.15973	1.5
341.13983	49.0
359.15060	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	359.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77090	0.3
59.01384	24.4
61.34975	0.4
64.33039	0.3
73.99846	0.4
77.01958	0.4
85.93507	0.4
95.83323	0.4
105.20271	0.4
174.62416	0.4
189.90930	0.6
233.22951	0.5
259.20612	0.6
277.21729	100.0
278.22079	2.4
359.22095	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	360.1092
Annotation	N-hydroxy-4-aminobiphenyl glucuronide
Peak:m/z	Relative Intensity
54.40893	0.9
59.01366	5.7
61.98842	13.9
63.21919	0.9
63.94844	1.1
71.01373	2.9
72.00890	5.0
72.99312	29.2
93.03427	1.3
96.96045	1.4
101.55574	1.1
115.00337	1.6
119.05040	1.9
119.41364	1.3
128.03496	1.6
132.03027	1.6
133.01440	10.7
135.83142	1.2
153.09122	2.0
160.71471	1.1
181.06665	2.0
193.06541	13.2
198.33144	1.1
207.08200	10.6
209.06117	5.4
211.07674	6.4
219.08162	19.7
223.07657	7.9
224.08420	1.8
225.09314	8.3
228.10373	1.7
234.09236	2.3
235.07701	9.1
237.05643	2.8
237.09241	42.5
240.10417	1.5
244.07530	1.4
251.07140	1.9
252.10280	14.7
253.08678	9.4
254.11852	8.8
255.06711	2.7
256.07462	5.6
263.07166	14.9
268.09741	4.8
279.06714	5.1
280.09744	12.8
281.08237	20.3
296.09253	10.5
297.07733	5.1
298.10895	8.0
299.09274	2.2
307.06201	2.9
314.10410	19.0
316.11877	1.2
324.08817	16.3
325.07330	1.7
342.09879	94.8
343.08545	6.8
360.10959	100.0
361.11371	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1093
Annotation	N-hydroxy-4-aminobiphenyl glucuronide
Peak:m/z	Relative Intensity
50.25660	0.5
51.01277	0.5
52.64244	0.8
54.82499	0.6
58.02978	0.7
59.01381	1.4
61.98832	1.4
69.19207	0.6
72.71479	0.6
72.99308	8.2
74.02458	1.6
77.91968	0.7
87.11883	0.6
119.37111	0.7
138.39571	0.6
143.11890	2.4
152.07254	0.9
163.04001	0.9
170.83705	0.6
181.06686	1.1
193.06570	5.2
197.06128	3.6
200.14104	1.2
206.07408	0.7
207.08156	11.0
209.06133	2.9
211.07693	4.1
212.08513	1.3
213.08951	0.8
219.08200	12.8
223.07680	4.8
224.08516	7.6
225.05453	0.8
225.09235	10.6
235.07758	4.8
237.05612	1.5
237.09238	37.4
240.07977	3.3
250.06357	0.8
253.08736	30.5
253.11385	1.0
254.08511	3.2
255.10403	4.0
256.07416	9.0
263.07211	5.7
265.04630	0.7
268.07358	1.4
268.09921	0.8
269.08102	3.0
272.06885	9.3
274.08578	1.4
280.09872	1.4
281.08197	20.4
286.08289	2.6
286.14230	0.7
287.99896	0.8
297.07724	3.1
298.10971	3.8
299.09296	5.6
300.06390	5.0
304.44711	0.6
314.10391	37.6
315.08859	3.0
316.11670	0.8
316.15201	1.3
318.07513	2.9
324.08853	3.5
342.09875	17.4
360.10956	100.0
361.11356	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	360.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83239	0.3
53.32403	0.3
57.18972	0.3
59.01387	3.3
61.98835	100.0
89.65747	0.3
94.20925	0.4
217.00508	0.6
224.04836	0.7
239.07190	0.9
245.61752	0.4
267.06653	30.0
268.07092	0.5
282.08997	28.4
297.11343	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	360.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17986	0.4
59.01386	32.3
61.98833	1.2
65.75152	0.4
70.26066	0.5
71.01379	25.1
71.31941	0.5
72.00908	10.0
72.01694	0.5
72.99298	0.6
73.02941	2.9
74.02465	1.2
75.26574	0.6
81.09377	0.5
83.01399	0.5
85.02940	2.5
87.00894	0.9
87.76258	0.5
89.02440	32.8
90.02732	0.5
93.03457	8.4
95.01367	1.0
96.96017	0.9
96.96951	0.8
101.02439	9.9
102.02791	0.6
106.04253	1.0
107.04996	0.5
113.02419	6.1
116.92841	2.4
117.01948	1.1
119.03604	5.1
119.05010	28.1
130.80460	0.6
142.01506	0.6
143.03474	0.8
149.04544	0.7
151.58894	0.6
161.04593	1.0
163.04002	33.3
179.05603	8.5
180.06665	100.0
181.07019	0.8
198.40068	0.6
270.44693	0.5
303.46436	0.6
335.54614	0.6
360.09473	1.1
383.93588	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	2.5
61.98843	100.0
68.99575	0.5
88.97635	0.3
211.83952	0.4
253.84126	0.4
352.10641	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48141	0.2
54.30482	0.2
55.04353	0.2
55.53900	0.2
58.03474	0.2
64.60780	0.2
71.01383	0.4
72.99303	0.5
73.02946	2.5
77.84010	0.2
85.02972	0.5
87.00845	0.4
96.85741	0.2
123.04556	0.3
133.36610	0.3
135.08224	2.1
137.09726	9.0
144.33096	0.3
153.09192	1.2
155.10788	100.0
156.11172	2.0
171.82600	0.3
179.05675	0.3
181.08791	0.3
199.09779	44.0
200.10080	0.4
226.86307	0.3
239.49898	0.3
336.51447	0.2
361.10339	0.8
361.15076	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	361.1661
Annotation	gibberellin A25
Peak:m/z	Relative Intensity
55.81262	1.6
59.01387	13.3
61.98819	7.3
71.01388	1.6
71.05027	40.1
83.04649	1.1
83.05030	16.0
103.77838	1.2
143.48434	1.3
201.12685	1.2
206.60735	1.1
212.81447	1.5
243.17561	6.6
245.11801	4.3
245.19148	5.0
269.15643	1.2
271.17072	2.3
273.18625	7.7
283.96231	1.2
289.18152	31.6
299.16519	2.1
317.17633	33.0
325.70258	1.4
338.85229	1.2
361.16595	100.0
362.16931	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	361.1662
Annotation	Sauriol A
Peak:m/z	Relative Intensity
50.47188	0.6
55.01896	0.8
59.01109	0.7
59.01391	15.9
59.66698	0.6
61.98822	0.9
71.01381	9.5
72.31966	0.7
73.02942	3.0
78.91258	0.7
83.01372	1.7
85.02966	5.2
89.02437	3.8
92.11711	0.8
93.03436	5.9
101.02431	7.2
102.59338	0.7
109.02952	12.9
113.02450	3.4
121.02955	56.7
122.03743	36.3
123.04570	7.8
124.01630	1.6
129.03459	2.8
134.03787	0.8
135.04510	3.6
136.05339	1.7
137.02463	5.9
141.48701	0.8
146.03751	3.9
147.04532	17.0
148.05322	1.0
149.06126	3.0
153.01892	0.8
154.02719	4.8
159.04500	1.0
161.06116	8.2
162.06819	0.8
165.05573	58.6
168.04280	0.8
173.06119	1.1
178.06337	1.0
179.07150	22.9
180.07884	1.1
181.12402	1.2
182.00873	0.8
191.07156	0.9
199.13361	5.3
223.09738	1.7
250.45789	0.8
315.12445	7.7
316.13113	1.5
346.14255	14.5
361.16840	100.0
362.17075	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	361.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.4
57.03459	2.6
58.00592	1.0
59.01387	22.3
64.24017	0.3
66.43684	0.2
69.03445	0.4
71.01385	14.7
71.05013	0.4
72.99301	0.4
73.02940	3.2
77.81812	0.3
83.01369	2.9
85.02949	6.6
86.00105	0.3
87.00858	1.8
89.02447	5.5
91.27160	0.3
95.01360	0.6
99.00871	1.5
101.02433	8.7
111.00840	0.4
113.02441	3.7
119.03481	1.4
153.12883	2.5
164.97856	0.2
181.12369	2.1
199.13423	20.3
241.14510	0.4
270.35028	0.3
273.59125	0.3
343.17590	3.2
361.18738	100.0
362.19037	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47682	0.6
55.01875	4.0
57.03444	3.2
59.01386	38.2
61.42423	0.7
61.98841	1.0
71.01382	23.5
72.99295	1.1
73.02934	6.3
83.01376	5.5
85.02953	11.9
89.02433	6.6
93.03429	6.6
95.01385	1.7
95.04990	0.8
99.00880	1.5
101.02437	14.6
108.02163	1.5
109.02950	13.0
113.02454	8.4
119.03515	1.3
119.05022	1.5
121.02953	65.4
122.03747	39.9
122.04643	1.2
123.04540	7.4
124.01660	4.3
129.03453	3.2
134.03674	1.6
135.04541	9.3
136.05261	3.2
137.02415	7.4
146.03749	1.6
147.04533	25.3
148.05289	1.6
149.06062	4.5
154.02721	7.5
159.04544	0.9
160.05266	0.9
161.04701	1.3
161.06071	11.1
164.04857	1.6
165.05574	61.5
173.06042	1.2
175.07597	0.9
178.06320	1.0
179.07133	22.8
180.07971	6.0
181.12372	3.1
190.06241	1.0
192.07843	0.7
193.08684	1.0
199.13426	12.3
209.08157	1.5
223.09724	1.8
298.12106	1.2
313.14487	2.9
315.12476	7.4
316.12964	0.9
331.15585	1.1
346.14273	14.2
361.16818	100.0
361.18369	85.6
362.16776	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2027
Annotation	Cespihypotin S
Peak:m/z	Relative Intensity
51.62204	0.8
52.38357	0.7
59.01369	6.5
61.98830	4.3
66.36752	0.8
69.92443	0.9
75.17655	0.8
92.11855	1.2
103.01035	0.9
115.46574	0.9
116.92886	1.4
123.08151	1.1
135.08141	1.6
149.09673	1.1
160.22818	1.0
175.59312	0.8
175.61795	0.9
177.09148	1.0
199.11295	5.7
214.09995	8.5
228.11563	1.1
241.12224	1.3
241.15961	1.2
243.13867	1.2
251.14482	2.2
253.12320	1.6
254.13081	7.6
257.19180	10.5
269.15479	60.4
270.15878	1.8
283.17047	1.3
284.29263	1.1
285.18625	35.0
361.20242	100.0
362.20526	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60692	0.3
59.01387	19.6
70.82780	0.4
80.72295	0.4
89.04192	0.4
91.63712	0.4
92.40086	0.4
100.90389	0.3
139.70331	0.5
150.46457	0.4
244.91762	0.4
279.23300	100.0
280.23425	0.7
361.23639	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
59.26574	0.1
60.01718	0.7
61.98838	0.2
71.83967	0.1
149.09734	0.3
169.73340	0.2
189.09473	0.1
325.21872	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.06260	0.3
61.98841	0.8
69.94934	0.4
86.25305	0.4
89.38128	0.3
92.11758	0.6
98.99820	0.4
105.01572	0.4
121.05965	0.4
147.18680	0.4
152.61383	0.3
232.12709	0.4
279.23349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91896	0.1
55.08527	0.2
59.02330	0.2
61.98837	100.0
84.48309	0.2
105.05741	0.2
111.05683	0.2
214.11768	0.2
217.61807	0.2
254.06085	0.2
269.08237	3.4
269.10883	0.2
279.44562	0.2
284.10538	9.4
285.10983	0.2
299.12933	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	362.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71731	0.3
54.82556	0.3
57.03433	0.3
59.01377	1.5
59.12154	0.3
61.98838	3.7
71.01366	2.2
71.05016	1.8
78.95899	1.6
79.83427	0.3
87.00890	0.7
87.04519	3.0
93.84351	0.3
96.96005	1.9
96.96946	1.6
99.04495	0.4
99.18095	0.3
101.02454	0.4
113.38246	0.4
114.57014	0.4
114.93436	0.8
115.00385	2.4
115.04007	100.0
119.29411	0.4
124.01247	0.4
125.02429	0.3
130.68353	0.3
161.04520	0.5
193.80154	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.9
58.00591	1.2
59.01386	8.6
60.01723	0.6
62.96387	0.5
71.01369	4.3
72.17944	0.4
73.02950	5.6
81.03449	0.6
82.16752	0.5
85.02947	4.0
87.04506	9.5
88.04856	1.0
97.02978	0.5
101.02433	4.8
102.02767	0.6
113.02418	2.9
115.59702	0.6
134.10555	0.5
135.08182	3.4
136.08453	0.9
137.09714	17.4
137.41516	0.6
138.10059	9.2
139.11211	0.7
153.09200	0.8
154.09540	0.6
155.10785	100.0
156.11110	50.4
161.04480	0.6
167.49908	0.5
169.12325	4.5
170.12662	2.5
181.08704	2.9
182.09038	2.0
197.60487	0.4
199.09776	56.1
200.10114	35.0
213.11382	2.7
214.11678	2.7
241.10832	11.1
242.11200	11.8
254.10921	0.7
271.11798	0.9
272.12305	0.7
301.13089	3.8
302.13248	6.4
358.40424	0.5
361.15076	0.8
361.22137	0.6
362.15396	2.2
362.22479	0.9
363.16663	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	362.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.9
58.00591	1.2
59.01386	8.6
60.01723	0.6
62.96387	0.5
71.01369	4.3
72.17944	0.4
73.02950	5.6
81.03449	0.6
82.16752	0.5
85.02947	4.0
87.04506	9.5
88.04856	1.0
97.02978	0.5
101.02433	4.8
102.02767	0.6
113.02418	2.9
115.59702	0.6
134.10555	0.5
135.08182	3.4
136.08453	0.9
137.09714	17.4
137.41516	0.6
138.10059	9.2
139.11211	0.7
153.09200	0.8
154.09540	0.6
155.10785	100.0
156.11110	50.4
161.04480	0.6
167.49908	0.5
169.12325	4.5
170.12662	2.5
181.08704	2.9
182.09038	2.0
197.60487	0.4
199.09776	56.1
200.10114	35.0
213.11382	2.7
214.11678	2.7
241.10832	11.1
242.11200	11.8
254.10921	0.7
271.11798	0.9
272.12305	0.7
301.13089	3.8
302.13248	6.4
358.40424	0.5
361.15076	0.8
361.22137	0.6
362.15396	2.2
362.22479	0.9
363.16663	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	363.086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	32.4
61.98539	6.0
61.98835	100.0
67.30337	3.8
89.02448	5.3
96.96001	6.6
101.02457	6.2
115.92157	4.4
119.12042	4.9
129.05605	6.5
130.63414	4.0
146.06084	7.0
148.05289	34.3
163.07664	24.3
164.07181	10.6
172.63313	5.3
178.87119	4.8
190.06348	17.0
205.08733	19.9
276.68930	4.8
327.10818	46.0
363.16757	7.6
376.11014	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	363.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.7
56.34415	0.4
57.03456	1.0
59.01387	100.0
60.43225	0.4
61.98839	7.9
65.11353	0.4
71.01385	13.2
72.99316	0.6
73.02946	4.0
80.74614	0.5
83.01381	0.9
85.02949	4.3
89.02444	8.2
89.93059	0.4
95.01406	0.7
101.02435	9.1
102.98603	0.6
110.04444	0.5
113.02440	6.2
119.03484	2.6
123.08198	0.6
127.07612	0.5
139.07626	2.3
156.67523	0.5
159.03081	0.6
161.04535	4.0
179.05632	0.7
183.10255	1.9
201.11360	0.7
272.79074	0.4
275.52719	0.5
327.54144	0.5
338.43689	0.5
345.03128	0.5
363.16644	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.0
64.34245	0.4
72.80447	0.3
73.02950	2.5
76.94424	0.3
84.26534	0.3
89.40218	0.3
91.09553	0.3
91.95905	0.4
92.11816	0.4
101.69297	0.3
135.08162	1.3
135.40804	0.3
137.09721	8.0
155.10793	100.0
156.11095	3.2
157.11340	0.5
199.09782	41.8
200.10146	1.8
201.10292	0.6
216.13777	0.3
229.14391	0.6
320.14233	0.3
343.10291	0.3
363.16666	29.2
364.17191	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52386	3.6
59.01375	6.5
61.98537	4.8
61.98835	100.0
70.77084	4.1
70.77578	3.2
72.32425	3.1
92.48659	3.5
112.90659	3.6
116.97280	3.8
170.71681	3.4
171.10301	17.9
197.11852	4.4
246.81226	3.7
281.24487	3.5
300.13159	6.4
327.21774	8.0
331.83926	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82586	20.1
56.34014	15.3
59.01383	35.7
61.98837	26.2
72.90591	15.4
78.43372	15.5
92.11748	26.3
99.00151	17.6
116.92858	100.0
116.97253	29.4
124.18311	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	363.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03812	15.1
54.82684	22.0
58.10920	16.5
59.01389	88.0
61.98817	30.0
62.23778	18.4
81.57198	17.4
81.71993	24.0
115.37751	18.0
116.92872	100.0
116.97247	80.1
215.48045	23.0
220.91467	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82541	0.4
59.01384	17.0
65.01299	0.2
74.49967	0.3
80.99123	0.3
92.40033	0.3
116.92883	1.5
121.07985	0.3
187.13951	0.3
269.92194	0.4
281.24863	100.0
282.25180	2.3
363.25186	18.9
364.25421	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65697	0.4
59.01396	2.2
60.12718	0.3
61.98842	100.0
71.20303	0.3
76.26524	0.4
82.95820	0.3
121.02956	1.4
156.27983	0.4
165.95015	0.5
187.07733	1.6
241.09007	0.5
242.09534	3.5
257.11865	7.4
301.10873	7.2
304.16583	0.4
333.56500	0.4
364.22067	0.5
381.56427	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.7
61.98833	100.0
62.10963	0.2
71.05041	0.2
84.62444	0.2
90.55369	0.2
95.26354	0.2
112.18444	0.2
139.79616	0.2
153.62410	0.2
164.62671	0.3
189.39803	0.2
192.29579	0.2
201.02618	0.3
240.11510	1.6
253.08722	1.2
268.08270	0.3
268.11038	7.9
269.33194	0.3
273.18683	0.5
274.19025	0.4
301.14484	16.2
302.14847	0.4
305.08835	0.3
327.21701	0.3
328.22302	0.9
345.17307	0.3
346.17654	1.2
358.04266	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.4
61.98836	100.0
79.16332	0.3
79.16932	0.2
85.47097	0.2
89.90833	0.2
92.11717	0.6
106.28296	0.3
110.96930	0.3
124.15792	0.2
150.20218	0.3
201.02606	0.4
220.69313	0.4
240.11540	2.3
268.11142	0.6
283.13461	0.6
284.78571	0.3
301.14508	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	364.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63756	0.2
57.04363	0.2
59.01383	0.5
60.49196	0.2
61.98835	100.0
64.34010	0.2
96.96027	0.2
154.79495	0.2
168.13954	0.3
236.74707	0.2
248.25864	0.2
268.96378	0.2
301.14490	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	364.162
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45948	0.2
58.02993	0.5
59.01386	41.6
60.01725	4.2
61.01813	2.6
61.08627	0.2
61.98835	100.0
65.01801	0.2
73.54324	0.3
76.14074	0.2
84.35643	0.2
92.12371	0.4
136.99098	0.3
161.06458	0.4
163.06136	0.4
168.14020	1.3
217.07333	0.5
218.07291	2.0
219.06911	10.7
220.07123	5.7
287.13339	4.5
288.13492	5.2
301.16766	0.5
302.16998	2.4
303.16498	14.1
304.16678	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	365.0879
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
59.01389	3.3
60.32247	0.3
60.68117	0.3
61.42642	0.3
68.56661	0.3
71.01363	0.4
73.02951	0.3
77.91209	0.4
112.05344	0.3
118.84087	0.3
119.57502	0.3
123.46701	0.3
135.64929	0.4
137.02429	0.4
139.30942	0.3
145.02963	0.7
153.51845	0.4
158.03740	16.7
159.04506	6.8
171.04553	2.2
175.03996	0.3
178.02754	0.5
201.02031	0.7
201.05547	1.8
202.02751	100.0
203.03445	2.3
213.05623	1.9
231.06702	0.5
245.04610	0.6
275.05569	0.7
365.08807	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1357
Annotation	1-beta-D-glucopyranosyl-L-tryptophan
Peak:m/z	Relative Intensity
50.97929	0.3
55.01854	0.4
59.01370	1.8
60.10185	0.3
61.98821	0.9
64.66847	0.3
71.01383	0.8
72.00907	7.9
73.02926	1.7
74.02467	15.6
76.66265	0.3
85.02945	0.5
89.02412	0.7
92.11758	0.4
93.03448	0.8
101.02438	5.5
113.02399	1.2
114.85612	0.4
116.05052	46.2
117.05387	0.6
123.04526	0.5
130.06622	0.9
131.03537	0.5
132.08122	0.4
137.39790	0.4
142.06612	16.5
142.31892	0.4
142.49718	0.4
157.07655	0.4
159.09279	9.6
161.04591	1.9
168.24541	0.4
175.90657	0.3
183.09254	0.7
186.05608	2.0
203.08279	100.0
204.08557	1.7
235.53386	0.4
245.09222	0.8
275.10446	0.4
300.74323	0.4
328.81396	0.4
385.28256	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73409	4.2
57.03444	29.4
59.01387	100.0
60.23065	4.5
60.27451	4.8
71.01385	38.7
72.00893	9.6
73.02927	6.7
86.02469	69.8
87.47906	4.4
89.02417	29.7
89.63261	4.8
92.05065	61.2
96.96005	28.1
99.04502	5.2
101.02417	21.5
101.46163	4.4
107.83987	4.6
113.02438	7.3
116.05049	97.7
117.83590	5.3
125.02402	6.8
130.06558	8.3
138.05669	5.6
142.06593	61.5
143.07103	9.4
144.08162	10.3
154.02025	5.2
156.06981	7.6
167.06094	67.5
169.07773	13.3
171.09305	78.9
181.07684	7.7
182.02225	8.2
183.09245	51.6
185.08156	6.0
193.07878	9.7
195.09273	25.3
197.04597	11.2
197.10786	5.7
203.08212	7.7
207.09248	7.0
209.10721	9.0
215.08295	92.6
225.10338	32.7
237.10344	56.5
303.13562	87.2
314.48825	5.7
329.08786	6.9
347.12582	6.7
365.13657	94.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29484	0.6
53.12627	0.6
55.01882	1.9
57.03460	100.0
59.01390	68.2
61.98800	0.7
71.01380	14.4
72.99268	1.1
73.02946	7.0
83.01387	4.5
85.02948	9.0
89.02433	3.4
92.11762	1.0
95.01381	1.0
97.02942	0.9
99.00848	1.7
99.04505	48.1
101.02432	31.5
108.20671	0.8
113.02455	8.0
125.02421	14.4
131.25146	0.9
141.09209	3.7
143.03505	1.8
157.08691	3.4
159.02971	1.3
161.04541	7.4
164.15784	0.7
167.03493	4.8
203.09254	8.1
221.10332	32.8
255.93335	0.7
263.11218	3.1
303.14603	1.5
365.14465	12.8
365.18250	1.2
382.08145	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30173	3.1
59.01389	41.8
61.98825	15.2
62.06223	3.6
83.39277	3.5
87.67979	3.5
92.12321	4.8
99.08148	4.5
181.12419	3.9
199.13454	6.5
201.02542	15.4
215.94699	5.0
327.21750	7.4
329.23380	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	365.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16090	18.0
61.98826	100.0
64.30574	23.4
130.32994	20.6
168.61462	23.5
172.56596	23.2
264.69522	24.3
329.99768	27.6
343.32455	23.7
386.49792	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	366.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.0
59.23787	0.3
60.41048	0.3
61.98835	100.0
64.15965	0.3
75.29997	0.3
98.74100	0.3
206.97459	0.4
303.12314	3.0
317.09378	0.4
381.67044	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.12
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53141	0.3
59.01388	1.3
61.98839	100.0
64.34679	0.3
64.94152	0.3
87.12342	0.3
97.06613	1.3
142.54909	0.3
161.06079	0.4
170.77652	0.4
187.07732	0.6
187.29826	0.4
213.61336	0.4
259.13379	6.6
286.15430	1.5
287.57227	0.3
303.12595	2.1
333.52692	0.4
367.08621	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
57.03441	7.5
58.02981	2.5
58.30869	1.0
59.01385	31.0
62.16656	0.9
68.47054	1.1
71.01384	19.0
72.00904	6.7
73.02933	2.2
74.02469	50.4
83.01371	4.2
85.02943	10.2
87.00882	1.4
89.02428	13.4
98.06101	1.5
101.02440	16.0
103.04011	1.8
112.02261	5.0
113.02475	7.7
114.39592	1.2
116.07184	20.5
116.92786	1.2
117.92923	1.1
118.05072	8.6
118.92636	2.3
119.03477	21.2
119.05430	1.6
125.94832	1.0
138.36424	1.2
142.03323	9.6
142.05098	7.1
142.08713	1.9
160.06137	30.7
186.02214	2.0
265.09366	2.1
304.74030	1.0
322.11475	79.8
366.14093	100.0
367.14664	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	367.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.5
57.03426	2.7
58.00587	1.6
59.01099	2.4
59.01381	42.7
63.51003	1.3
71.01375	56.4
73.02944	29.2
75.00899	1.5
79.09268	1.3
83.01386	12.9
85.02943	38.0
86.00072	2.1
87.00854	2.6
89.02424	11.6
95.11201	1.3
97.02942	2.1
99.00874	9.1
101.01759	2.9
101.02430	60.5
103.77708	1.4
113.02435	24.9
119.03457	2.1
122.60298	1.4
125.02418	2.5
149.04521	1.7
159.02965	2.0
161.04539	16.8
198.17992	1.6
235.09416	2.0
235.11858	80.0
367.16110	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	367.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82891	1.4
55.01889	9.1
55.10987	1.1
57.03445	7.1
58.50052	1.0
59.01387	47.2
59.01685	2.0
61.98828	6.7
64.34932	1.4
67.06475	1.1
71.01385	52.0
71.57144	1.0
72.29454	1.1
72.99295	4.9
73.02949	29.8
75.00889	1.6
79.23405	1.3
80.69943	1.2
83.01395	15.3
85.02954	32.3
87.00872	2.6
89.02441	7.5
95.01402	2.1
97.02957	2.2
99.00876	15.1
101.02435	69.3
111.00885	1.6
113.02464	26.1
125.02483	1.9
125.22204	1.4
129.02017	1.6
131.03506	1.6
134.03737	7.1
143.03517	1.7
149.06122	1.8
159.02966	4.6
161.04552	21.9
193.05086	2.2
199.59265	1.4
235.11899	82.8
296.19931	1.6
300.68018	1.5
367.16147	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	367.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69762	0.1
58.02981	0.9
59.01382	0.5
59.03335	0.1
59.92931	0.1
60.15461	0.1
61.98836	100.0
63.03507	0.1
67.53131	0.1
82.60939	0.1
92.11498	0.1
168.13953	0.8
169.14287	1.0
170.14598	0.5
233.33551	0.1
307.20706	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	367.2127
Annotation	Sinulaflexiolide B
Peak:m/z	Relative Intensity
58.00588	0.5
59.01373	2.0
61.98839	2.9
61.99082	0.3
62.26110	0.3
71.01363	1.6
73.02951	3.5
74.59953	0.3
83.05015	2.5
85.88524	0.4
121.02952	0.4
133.26437	0.4
189.12880	0.4
213.12848	2.4
215.14375	1.9
229.16010	1.6
229.94185	0.4
231.17595	0.7
241.16141	0.5
247.20662	2.2
253.16103	0.6
271.17035	5.1
277.21738	0.6
287.16574	2.1
289.18130	28.6
303.19562	0.6
305.21234	37.8
323.22342	11.2
349.20221	8.9
367.21277	100.0
368.21539	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2645
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
55.75277	0.3
59.01375	0.5
59.88410	0.3
61.98815	0.5
65.98367	0.3
75.57380	0.3
100.93281	0.3
101.72688	0.3
116.92896	0.4
133.06583	2.6
149.09726	92.0
150.10056	0.7
189.12877	0.5
203.81104	0.3
205.16000	100.0
206.16359	0.7
220.66109	0.3
232.40898	0.3
233.47791	0.3
355.04245	0.4
367.26471	91.3
368.26794	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	368.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56729	0.1
56.48812	0.1
57.03452	0.4
58.53492	0.1
59.01385	0.9
59.22432	0.1
61.98836	100.0
62.82005	0.2
64.34492	0.2
75.88210	0.2
79.12124	0.1
81.03486	0.2
88.04071	0.2
89.02467	0.2
92.97006	0.2
109.02959	0.4
121.03001	0.3
125.02440	4.4
128.07175	0.7
132.03061	0.3
137.02435	1.7
139.04068	1.0
161.78862	0.2
164.85788	0.2
164.87181	0.2
165.01987	1.0
167.03578	0.9
175.04164	0.2
179.03569	0.9
204.04504	0.3
219.06653	0.3
221.04655	0.3
233.89311	0.2
257.37320	0.2
290.12668	0.2
305.06705	5.6
367.16226	0.3
368.10477	0.4
370.99023	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00476	0.3
57.03463	12.1
59.01391	9.0
60.94897	0.4
65.20674	0.4
71.01389	6.5
73.02940	0.9
83.01388	0.5
85.02946	8.8
89.02449	4.0
101.02444	4.7
103.04008	1.2
113.02440	1.1
119.03518	1.0
120.01254	1.0
128.07173	100.0
129.07498	1.8
159.82333	0.5
161.04593	0.6
265.09335	0.6
290.12482	29.9
334.11447	0.7
368.10245	51.0
369.10428	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0833
Annotation	5-Hydroxy-6-methoxy-7-O-beta-D-glucosylcoumarin
Peak:m/z	Relative Intensity
51.02374	0.2
56.53159	0.2
59.01365	0.3
69.03442	0.7
71.01381	0.3
79.41319	0.3
82.02937	0.3
85.58573	0.3
91.05499	0.3
95.01371	0.4
107.01403	2.2
119.01377	0.7
120.02171	0.7
123.00867	2.0
127.07639	0.5
127.18829	0.3
130.08766	0.3
133.61610	0.3
135.00888	6.1
139.05193	0.4
142.57323	0.3
147.00859	0.5
149.06157	0.4
150.03282	0.7
163.00383	16.7
163.04050	0.6
164.01172	2.0
171.06596	0.3
175.00414	0.6
188.95889	0.3
190.12199	0.4
190.99875	55.2
192.00662	100.0
193.01382	2.2
205.01369	0.4
206.02229	25.1
207.03009	82.4
208.03343	0.6
258.38910	0.3
354.05984	2.0
369.08301	56.1
370.08725	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	100.0
75.34376	15.3
92.11766	21.2
116.92863	26.7
117.62542	19.2
121.02896	23.3
122.97136	17.8
182.37910	18.0
184.45062	21.2
196.63390	19.2
276.63760	18.0
317.63135	20.1
319.48529	17.6
330.23615	34.2
331.24219	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	369.3374
Annotation	2-Hydroxytricosanoic acid
Peak:m/z	Relative Intensity
61.98820	9.7
72.81847	1.8
73.02177	1.8
79.43143	2.3
112.99399	1.9
142.76892	2.2
210.86282	2.0
321.31680	3.2
323.33176	70.6
369.33743	100.0
369.67636	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0775
Annotation	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
59.01387	18.5
61.98829	0.8
72.80827	0.4
87.18359	0.4
92.12295	0.7
102.66286	0.6
103.52513	0.4
121.02952	100.0
122.03284	0.9
132.84059	0.4
158.93855	0.4
175.37225	0.4
179.03510	11.5
181.06505	0.7
209.04691	0.5
224.64978	0.5
248.86314	0.4
281.11841	5.3
296.14227	2.8
299.90662	0.4
311.16223	0.5
371.07819	13.7
371.24167	0.5
381.07944	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89742	0.2
57.43415	0.3
59.01398	2.7
60.14423	0.3
61.52277	0.3
61.98840	0.5
71.01391	0.5
86.78287	0.3
87.00881	0.3
89.02421	0.5
96.95995	0.4
119.04982	2.2
121.02951	100.0
122.03318	1.6
134.03741	1.3
137.27336	0.4
146.92134	0.3
147.04533	8.0
162.03244	0.4
178.02753	0.6
179.05679	0.3
191.03514	58.1
192.03897	1.6
193.05092	1.3
251.36391	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1349
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
55.01869	1.5
57.03441	1.1
58.00592	3.0
59.01385	100.0
61.98826	0.8
69.03445	2.5
71.01382	43.6
72.99291	4.1
73.02927	1.2
75.08627	0.7
77.26788	0.6
81.34489	0.6
83.01369	3.0
85.02940	10.8
87.00884	1.0
89.02437	44.2
91.05553	0.8
95.01395	3.6
97.02912	0.8
99.00848	1.0
101.02438	25.5
113.02437	17.6
119.03483	18.8
120.99632	10.2
121.02928	3.9
130.08731	7.3
143.03519	1.0
147.08188	1.0
161.04523	1.2
179.05557	3.3
185.34097	0.6
191.07106	1.0
199.18234	4.4
209.04492	1.3
209.08327	0.6
222.37332	0.7
344.80197	0.6
371.13516	84.7
371.23001	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	371.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04697	0.4
54.32713	0.4
55.01876	2.7
57.03459	1.7
57.58644	0.4
59.01389	100.0
59.16606	0.4
61.98833	0.9
69.19980	0.5
71.01385	26.1
72.99300	2.1
73.02953	7.8
83.01397	3.8
85.02956	12.7
86.50351	0.6
87.00854	1.1
88.62487	0.4
89.02451	8.3
95.01380	1.2
99.00874	4.0
99.04512	0.5
101.02444	21.5
109.06579	0.6
111.08168	15.6
113.02463	12.0
119.03491	2.6
125.02449	0.6
137.02357	0.6
143.03511	0.7
144.33247	0.6
149.06464	0.6
159.03004	2.9
161.04562	17.3
173.08186	23.2
175.03917	0.7
176.04869	0.6
179.05623	0.8
181.29346	0.5
209.04570	0.8
219.06685	4.3
251.05629	0.7
263.11383	2.4
264.96674	0.5
276.09787	0.5
293.06763	2.2
311.08917	1.3
311.11761	33.9
312.12076	1.2
315.93149	0.5
335.13577	9.2
371.09808	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27749	1.1
56.87038	1.2
59.01384	23.0
62.94601	1.0
68.46817	1.1
75.03471	1.1
80.96529	1.1
87.74670	1.1
121.02913	5.0
131.21527	1.2
132.98199	2.6
138.89754	1.1
174.99255	11.4
213.15038	6.8
244.00417	1.2
257.07098	1.2
263.06030	2.2
265.07452	8.4
267.09180	10.6
269.10632	7.2
283.12448	1.4
297.10327	1.8
299.11783	6.5
309.10269	4.7
311.11789	100.0
312.12244	2.4
333.17090	2.3
350.41461	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.13958	16.6
66.83831	15.0
73.56438	14.6
82.20590	15.7
121.02948	43.4
146.95860	27.6
167.19382	18.7
172.25011	17.5
209.04611	24.5
225.39157	17.8
259.50333	18.6
262.59656	19.1
267.06595	18.9
371.19818	90.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25619	10.0
59.01396	100.0
61.98837	61.3
63.62106	11.3
86.70711	11.2
96.96020	59.1
97.91802	9.5
121.02984	20.7
129.31302	13.1
193.58336	12.8
371.20255	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	371.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19181	6.0
59.01386	86.5
82.75452	5.8
92.12422	6.7
102.73859	6.9
109.02933	44.5
115.87597	6.1
121.03000	7.6
124.04559	6.8
127.65032	7.3
130.34479	7.5
136.01657	8.1
139.53944	5.9
151.04034	13.8
159.04613	8.4
160.05290	33.2
250.06172	8.1
264.65646	7.3
267.06668	100.0
268.07214	7.8
273.00830	6.7
282.09058	56.0
297.11307	41.3
327.12283	55.2
371.11691	10.2
371.20013	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.219
Annotation	TMC-96
Peak:m/z	Relative Intensity
50.65759	0.2
56.85421	0.2
59.01380	1.3
61.31614	0.2
64.34069	0.3
69.03466	1.0
71.01379	0.3
73.32383	0.2
74.99089	0.5
81.03458	15.8
82.06614	0.3
83.05030	63.7
87.84512	0.3
98.12886	0.2
100.07684	20.0
120.99656	0.3
121.03014	0.3
126.05612	1.5
127.04007	0.5
130.08751	1.3
142.37769	0.3
145.05104	0.4
153.85156	0.3
180.10297	0.5
182.15448	1.1
197.13051	0.3
199.18185	15.0
200.18369	0.3
207.15036	0.5
225.16110	14.6
225.18280	0.6
226.14473	1.3
237.49727	0.3
243.17152	37.8
244.17310	0.3
269.15100	3.3
282.04230	0.3
291.20825	0.4
294.14182	0.3
309.21909	1.7
320.66074	0.3
327.22992	1.2
335.20023	0.4
353.20844	11.7
354.21158	0.3
371.21902	100.0
372.22131	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.3169
Annotation	CHEBI:79298
Peak:m/z	Relative Intensity
64.65514	1.8
72.98934	2.5
72.99306	43.1
75.00875	19.0
76.57377	2.2
77.88799	2.1
82.58405	1.9
107.47839	2.2
136.96677	2.0
140.26161	2.8
183.62523	2.0
279.43048	2.7
293.47037	2.3
334.39319	2.2
371.31708	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	372.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75758	0.1
54.76335	0.1
59.01376	0.2
61.98839	100.0
69.41447	0.1
74.85741	0.1
89.52634	0.2
93.14184	0.2
184.84691	0.1
192.18445	0.1
233.97289	0.1
249.69196	0.1
259.38715	0.2
267.18079	0.2
313.18314	0.7
320.78217	0.2
322.34216	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58913	0.5
53.83055	0.5
54.82895	0.8
58.02977	1.0
58.16814	0.5
59.01397	4.4
61.98837	2.5
65.89830	0.5
66.03500	1.1
67.01885	0.9
68.05050	2.6
71.01382	3.0
73.04056	2.5
74.02476	1.2
82.02992	4.9
82.06622	6.3
84.04563	1.0
84.08176	1.4
94.02955	0.9
98.02405	0.6
100.04043	4.0
101.07198	9.2
102.05595	0.8
109.04047	4.9
111.05634	2.5
112.04018	2.6
114.09227	1.1
120.99666	0.6
123.03249	3.1
125.03553	0.9
126.09250	1.3
127.05128	9.9
128.03534	4.4
129.10307	2.5
130.08728	100.0
136.11282	5.0
137.09419	0.6
138.09215	0.9
140.07181	11.6
141.10297	1.3
143.11876	0.7
145.06174	6.9
146.04607	1.1
151.12418	1.2
152.10843	2.8
167.11905	1.1
169.09853	1.2
169.13483	1.3
171.15018	1.5
179.11890	3.7
180.10312	46.5
182.15508	4.7
197.12961	14.4
199.18175	21.5
209.16687	1.5
223.10875	13.0
224.09311	3.5
225.16203	0.9
241.11935	7.7
242.18645	0.7
243.17088	6.9
284.23544	1.1
310.21408	7.5
328.18921	1.1
335.17191	1.1
336.17569	2.2
354.15933	0.7
354.20352	28.2
372.21420	81.0
373.21750	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06641	0.5
53.16741	0.5
59.01379	3.7
61.98795	0.6
65.18242	0.5
65.42918	0.5
66.01111	0.6
66.03481	0.7
67.01865	0.7
68.05034	1.1
69.03497	0.6
71.01380	3.2
73.04073	1.0
80.05025	1.2
82.02971	3.6
83.02502	0.5
84.04527	0.8
95.03763	1.4
100.04052	4.7
101.07204	8.4
102.05607	0.7
106.73753	0.6
109.04059	3.2
111.05635	1.3
112.03991	0.9
121.03008	1.0
123.03260	3.8
125.03551	0.8
127.05138	7.0
128.03548	1.5
129.10371	0.8
130.08733	100.0
134.22652	0.6
136.11327	5.4
138.09238	0.6
139.08736	0.7
140.07178	10.5
140.95230	0.6
141.10336	1.0
145.06213	7.6
146.04587	1.0
152.10803	1.2
167.11917	1.1
168.09047	1.5
169.09865	3.3
169.13434	1.1
171.14989	1.1
179.11884	3.1
180.10300	48.4
197.12987	11.1
199.18193	21.0
209.16525	2.4
222.12492	0.9
223.10905	6.8
224.09340	3.9
225.05626	1.0
241.05054	0.9
241.11977	5.5
243.17148	8.0
253.05110	1.2
253.14445	0.9
256.07413	0.8
266.74121	0.8
271.09964	1.2
284.23489	1.4
310.21500	5.6
354.20432	20.8
372.21439	87.7
373.21860	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44801	0.5
57.89923	0.6
58.02983	20.9
59.01384	3.3
61.98843	1.2
67.45649	0.6
73.04070	15.0
75.29040	0.6
79.84081	0.6
82.06623	4.3
87.83199	0.6
96.40840	0.7
97.04032	1.3
98.02472	3.7
108.08194	3.0
112.07666	0.8
114.09255	1.0
115.04398	0.9
115.05117	7.8
126.09210	1.2
129.10332	0.9
130.08733	100.0
137.10828	0.8
139.08754	0.8
140.07138	3.0
141.10326	4.9
143.11925	5.7
152.07185	15.2
155.10657	0.8
168.11412	1.2
169.09824	3.4
179.11955	1.2
182.08220	6.2
182.15492	6.4
185.13083	0.9
197.16602	1.3
199.18187	56.4
210.12538	1.1
211.10857	3.5
223.10924	2.8
225.16039	1.2
241.11945	1.2
243.17139	17.6
256.20340	42.2
268.20377	1.2
297.94769	0.7
298.21408	3.8
312.19388	0.9
342.20367	65.2
354.20377	9.9
372.21451	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	100.0
63.60687	57.8
74.34518	51.9
77.36359	54.8
95.69208	60.3
111.20869	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15680	68.8
54.82493	97.3
57.24796	82.1
81.25225	78.5
90.48603	79.2
98.29519	88.0
126.28728	92.6
291.97873	92.1
370.75342	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	373.1872
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01868	0.9
57.03448	1.4
57.92485	0.7
58.00593	3.4
59.01388	100.0
61.98830	3.2
65.68935	0.7
71.01383	43.8
72.99309	4.5
73.02944	1.3
83.01384	4.7
85.02938	11.3
87.00840	1.6
89.01885	1.5
89.02441	45.2
95.01389	3.4
101.02441	28.6
109.02932	1.3
113.02438	13.1
119.03491	19.9
121.02902	1.0
123.00918	1.4
124.01675	1.0
132.04514	1.5
141.39626	0.7
143.03543	0.9
146.48633	0.9
147.04520	3.8
149.04895	1.0
149.06020	7.6
161.04652	1.2
161.06133	0.8
163.03983	4.5
174.03192	0.9
177.05606	1.0
179.05623	2.1
188.04782	1.2
193.12318	5.2
211.13458	1.1
298.08392	2.1
312.02679	0.9
313.10788	8.6
343.11832	2.0
358.10208	1.0
373.13025	9.2
373.18665	43.1
387.33701	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71252	0.3
51.27496	0.2
51.35548	0.3
59.00417	0.3
59.01377	1.8
61.98841	0.4
68.01428	0.6
84.78629	0.3
103.09479	0.3
116.92861	0.7
133.97720	0.3
143.37305	0.4
148.70184	0.4
210.51175	0.3
277.21750	100.0
278.22037	2.0
375.97491	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81231	0.2
57.17670	0.2
57.75060	0.2
59.01390	100.0
60.01735	0.2
61.98832	0.2
86.27776	0.2
87.84844	0.2
88.20853	0.2
92.12449	0.5
92.46111	0.2
94.44013	0.2
116.92844	0.4
164.28316	0.2
165.41762	0.2
261.25482	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22585	0.2
54.82008	0.2
59.01389	100.0
61.98843	0.5
63.05837	0.2
104.36617	0.3
171.48277	0.3
377.83224	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99858	0.2
55.09055	0.2
59.01388	100.0
61.98821	1.6
71.01357	0.2
74.83895	0.3
92.11740	0.4
102.90658	0.3
111.50573	0.3
116.92860	0.5
121.03006	0.3
164.39369	0.3
385.78720	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
60.90870	0.7
61.98795	0.9
65.56673	0.6
66.03469	4.6
71.01392	1.2
72.10387	0.6
82.02981	12.9
87.04508	1.0
87.92525	1.4
88.04044	1.2
96.04554	0.9
103.92011	2.9
108.04565	1.3
110.02472	51.7
111.02000	15.0
122.02477	4.9
124.04037	1.4
128.03537	10.1
130.05075	3.1
130.08723	100.0
131.03503	3.0
131.23889	0.7
140.03539	5.7
145.96727	1.1
152.03532	9.9
153.03040	4.1
158.95178	0.7
161.96147	1.1
180.06619	5.7
189.95517	0.8
199.94101	1.0
200.05681	18.4
210.07301	0.9
243.06218	83.3
251.74660	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47811	0.2
59.01380	1.4
61.98835	100.0
75.59540	0.2
76.57380	0.2
81.25852	0.2
86.77449	0.2
87.92262	0.2
136.33891	0.2
298.98660	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33012	0.1
59.01104	0.3
59.01386	7.2
61.98836	100.0
62.57770	0.1
69.79092	0.1
79.96043	0.2
80.52314	0.1
83.02850	0.1
84.44363	0.2
150.00349	0.2
172.65381	0.2
174.99342	0.4
210.80713	0.2
217.00282	2.4
256.98035	0.2
288.05829	0.2
319.60040	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35389	0.2
54.82685	0.2
59.01387	5.7
61.96429	0.2
61.98836	100.0
67.89885	0.2
68.84515	0.2
74.01569	0.2
93.58445	0.2
116.48530	0.2
129.66841	0.2
129.78400	0.2
132.98260	0.2
144.36407	0.2
158.70079	0.2
174.99294	1.0
217.00293	3.0
218.14578	0.2
218.16988	0.2
259.81403	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36575	0.3
53.24612	0.3
59.01385	25.0
61.98834	19.6
61.99163	0.4
69.67319	0.3
72.17463	0.3
74.89240	0.3
92.09892	0.3
101.06056	1.4
116.37749	0.3
132.98174	0.4
165.10316	0.4
174.99232	6.0
189.10240	0.6
205.12265	0.4
212.93668	0.3
217.00291	12.6
232.10907	12.5
232.13206	0.5
289.17932	2.3
290.18726	3.9
315.20297	0.4
316.16669	2.1
318.18347	0.6
358.21463	1.5
374.24509	100.0
375.24780	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96264	0.3
56.83971	0.3
59.01385	100.0
60.01698	0.3
61.11087	0.3
61.63473	0.3
61.98837	8.5
91.61071	0.3
95.97552	0.3
135.74643	0.3
174.99252	2.8
191.21071	0.3
192.07640	0.4
200.70116	0.3
217.00319	7.6
223.20786	0.5
253.21892	1.5
272.18893	0.4
311.22418	1.4
313.18228	0.7
314.18439	7.9
314.27155	0.7
345.11047	0.4
374.99600	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82083	0.1
59.01377	0.4
70.20064	0.1
71.01398	0.1
74.02501	0.1
75.00882	0.1
76.56836	0.1
78.87823	0.1
78.95933	0.1
82.02988	0.8
83.01400	0.1
84.04542	0.4
85.02956	0.5
96.96910	0.1
101.02448	0.2
113.02393	0.1
126.90475	0.1
127.04094	0.3
127.05137	0.1
128.03532	100.0
128.90120	0.1
129.01929	0.7
129.03876	0.5
137.02461	0.1
137.99597	0.2
146.04596	0.1
149.02463	0.2
150.03223	0.2
165.05559	0.4
169.08688	0.1
180.04283	0.1
195.06685	0.2
208.44963	0.1
254.93138	0.1
338.97147	0.1
374.16171	0.1
375.09921	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	375.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	3.8
71.01352	0.8
75.00875	1.2
87.00874	0.7
88.65801	0.5
93.03449	4.1
121.02946	14.4
122.03729	9.1
123.04550	0.8
129.01936	0.5
133.02940	0.8
146.03748	6.7
147.04482	2.3
149.02444	100.0
150.03235	57.0
150.04466	1.3
153.09192	0.9
161.06107	2.0
164.04787	21.8
165.05569	50.9
166.05905	0.8
166.50459	0.4
171.28815	0.6
174.74695	0.6
174.99286	0.7
177.03978	2.0
179.07150	6.4
180.04309	3.4
195.04915	0.8
195.06644	18.5
217.00352	2.6
226.35184	0.5
268.07376	1.1
269.08185	0.8
275.91937	0.6
280.07263	0.5
281.08176	0.9
283.09717	2.4
297.07663	0.8
312.10074	22.7
313.10504	0.6
327.12405	60.5
328.12714	0.8
361.09769	0.7
375.12958	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	375.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46938	0.4
59.01378	3.2
71.01382	1.0
75.00861	2.3
77.03984	0.6
84.73180	0.6
85.02943	0.6
93.03444	2.6
95.01383	0.6
95.05029	0.7
121.02944	12.2
122.03752	7.5
123.04539	0.6
129.01932	0.9
130.08879	0.6
132.02130	0.7
136.01596	1.3
146.03735	5.8
147.04501	2.4
147.35806	0.6
149.02444	100.0
150.03229	54.6
153.09225	1.9
161.06024	1.1
164.04800	18.6
165.05568	46.3
177.03990	1.1
179.07161	5.6
180.04282	3.4
185.33908	0.6
188.73026	0.6
195.06635	16.0
213.11374	0.8
217.00323	0.8
233.48495	0.6
268.07376	1.0
280.07480	0.9
283.09814	3.0
297.07867	0.8
297.11374	0.6
299.52228	0.5
312.10089	22.4
327.12415	56.3
375.12991	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.0
61.98830	1.1
71.87233	1.2
73.34398	1.1
74.99062	0.9
81.36806	0.9
89.21293	1.0
93.00120	1.6
116.92859	2.1
131.07103	0.9
150.39101	1.0
159.08456	10.5
161.06381	4.7
163.11316	1.9
209.01253	1.8
217.07120	1.0
275.05884	1.7
277.07574	1.1
289.07492	1.4
291.09131	94.8
292.09329	2.2
309.10117	2.3
339.23279	1.2
352.29456	1.1
357.13879	2.1
359.15396	100.0
360.15289	3.7
375.18573	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	375.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18520	1.3
50.42400	1.3
50.98123	1.3
57.49727	1.5
59.01384	100.0
61.98832	27.1
64.77420	1.4
66.79932	1.4
80.96638	1.6
94.91784	1.5
101.21568	1.7
109.06603	1.6
116.92762	1.8
121.10213	17.4
171.10262	48.3
174.99226	15.3
183.13872	7.3
217.00331	36.0
218.00587	1.8
231.21002	1.9
244.12318	1.7
257.91437	1.8
275.20181	77.0
278.11337	3.1
293.21277	77.5
315.19479	37.4
359.18457	2.1
375.21494	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2178
Annotation	Maoecrystal G
Peak:m/z	Relative Intensity
55.24471	0.2
59.01386	100.0
61.98839	1.8
86.63194	0.2
106.49511	0.2
110.37440	0.2
116.57995	0.3
153.21802	0.2
174.99225	5.1
217.00322	12.4
315.19656	1.0
322.15677	0.3
374.99307	0.5
383.44016	0.3
393.91559	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.218
Annotation	Galeopsin
Peak:m/z	Relative Intensity
56.46790	0.2
59.01395	100.0
59.04845	0.2
61.98854	0.3
62.96861	0.2
85.20853	0.2
100.59024	0.2
152.05824	0.2
153.27811	0.2
174.99181	0.4
191.98012	0.2
217.00343	2.0
227.37521	0.2
380.09351	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74135	0.4
59.01376	0.7
61.98834	0.6
68.01410	2.3
92.11624	0.6
92.93647	0.5
97.31776	0.4
99.97337	0.4
100.90934	0.4
102.14659	0.4
113.36480	0.5
116.92848	1.1
224.43483	0.5
274.06735	0.4
279.23312	100.0
280.23480	1.0
291.09122	2.2
359.15280	2.7
378.41003	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91276	0.5
53.96939	0.4
59.01387	100.0
61.98829	1.0
68.93752	0.5
102.05578	0.6
116.92818	2.6
148.43349	0.6
221.15356	0.6
277.21786	0.6
319.64273	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82399	9.1
59.01385	22.9
59.79107	7.7
61.98835	14.4
62.74569	7.9
116.92853	24.9
163.11310	100.0
192.71678	10.9
291.09467	10.6
295.36386	10.7
320.61374	10.4
339.23364	57.8
359.15344	15.9
363.15897	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	375.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26221	5.2
61.97629	6.6
76.55253	5.9
94.33823	5.7
95.25594	6.2
116.92828	27.4
124.65141	6.1
132.19675	6.7
137.48790	6.1
161.62770	7.2
207.38394	6.3
279.23322	100.0
359.15494	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	375.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
85.31282	0.2
277.21799	0.9
316.86438	0.3
341.33597	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15811	0.7
59.01393	20.8
60.01721	1.3
61.98839	100.0
62.95981	0.8
64.55807	0.9
73.65530	0.9
81.01675	0.9
93.17948	0.9
131.20209	1.0
132.56519	1.1
218.00665	1.4
236.99437	1.0
277.92987	1.1
311.22464	8.1
313.18161	5.7
314.18503	4.0
315.18784	7.1
316.19122	4.8
376.16769	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88211	3.6
59.01385	38.6
65.21442	3.3
65.91667	3.1
71.01386	34.6
89.02446	43.8
101.02430	8.4
103.87850	3.6
113.02444	5.7
115.00372	19.1
119.03495	15.4
133.01459	33.2
157.11996	4.1
179.05617	14.2
215.03275	17.2
235.67076	3.9
257.59848	3.9
341.10876	100.0
377.08539	94.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1428
Annotation	Abafungin
Peak:m/z	Relative Intensity
59.01378	0.8
84.93875	2.2
87.58283	0.4
90.99356	0.4
99.92582	71.5
100.92600	1.8
100.93359	5.1
114.36623	0.4
115.92072	31.9
116.92856	100.0
117.92878	1.8
126.13321	0.4
132.92326	0.4
210.51462	0.4
222.17278	0.4
250.37534	0.4
308.07120	0.9
313.26154	0.5
318.09930	0.5
335.63181	0.4
359.13016	1.5
373.10995	1.6
377.14301	38.4
378.14334	1.5
391.12366	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82442	0.7
57.03455	0.8
59.01396	28.8
61.98837	3.4
73.49500	0.5
76.57227	0.8
80.91673	1.5
93.10624	0.6
95.05032	6.1
113.09711	3.3
116.92902	0.8
127.62821	0.8
169.43785	0.6
177.12769	0.9
179.96999	0.7
184.01122	0.7
195.13916	22.2
217.11914	0.8
249.10880	0.9
259.20520	0.9
277.21713	22.8
278.11282	7.7
295.22794	100.0
315.19614	1.0
317.21005	48.8
361.19949	5.8
377.23157	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	377.2339
Annotation	16-Hydroxybacchasalicylic acid-15-O-acetate
Peak:m/z	Relative Intensity
51.82149	0.3
52.25273	0.3
54.06048	0.3
59.01394	100.0
61.98852	3.7
67.32900	0.3
71.01382	0.6
103.13169	0.3
127.11589	0.3
154.95094	0.4
180.79846	0.3
190.10088	0.4
219.97887	0.8
280.10400	0.4
341.07462	0.4
341.11151	1.7
373.70987	0.4
377.08774	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	377.2336
Annotation	16-Hydroxybacchasalicylic acid-15-O-acetate
Peak:m/z	Relative Intensity
52.26940	0.2
52.76313	0.2
56.21293	0.2
57.24513	0.2
58.16475	0.2
59.01387	100.0
60.01729	0.4
61.98834	3.2
74.67471	0.2
112.69621	0.2
121.48355	0.2
162.36560	0.3
189.83598	0.2
201.02876	0.3
203.25771	0.2
219.97798	0.3
237.14900	0.4
248.29984	0.2
253.40501	0.2
317.21408	0.3
321.20520	0.3
377.08792	1.2
377.19208	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2336
Annotation	16-Hydroxybacchasalicylic acid-15-O-acetate
Peak:m/z	Relative Intensity
51.27425	0.1
59.01389	100.0
61.67677	0.1
61.98837	0.3
76.56921	0.1
76.77766	0.1
89.86806	0.1
213.65405	0.1
221.52676	0.1
275.69348	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	377.2336
Annotation	16-Hydroxybacchasalicylic acid-15-O-acetate
Peak:m/z	Relative Intensity
55.13766	0.1
57.31182	0.1
59.01396	100.0
59.06235	0.2
60.01727	0.2
61.98847	1.1
88.62927	0.1
89.02423	0.1
92.12318	0.2
112.16709	0.1
168.29332	0.1
171.83568	0.1
215.38220	0.1
220.65712	0.1
277.44263	0.1
284.40253	0.1
341.10938	0.2
377.08792	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98817	17.5
66.64526	7.4
92.11777	15.0
99.09850	8.6
116.92828	36.8
149.50140	8.2
152.40323	7.8
163.11307	10.2
206.55038	8.0
212.04128	8.8
303.05658	8.7
368.73114	9.2
377.08524	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	378.12
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.6
61.98836	100.0
68.31768	0.4
71.01375	0.4
73.13916	0.3
92.65381	0.4
142.23459	0.3
177.89949	0.3
219.97771	0.5
227.10742	0.7
228.08012	0.7
229.08813	0.5
243.10300	2.4
255.06798	0.5
256.07397	9.9
256.09897	0.5
265.04868	0.9
267.06696	0.8
271.09781	43.4
272.10052	0.4
283.09781	2.7
285.07767	0.7
300.10016	7.9
309.07513	0.4
315.12430	45.6
316.12796	0.4
318.09918	1.3
341.10672	0.6
353.06522	0.8
377.08295	0.4
378.09064	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.12
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73984	0.6
59.01389	4.5
61.98837	100.0
76.73929	0.6
79.35146	0.5
81.14391	0.8
94.19449	0.6
97.46240	0.7
98.85387	0.7
132.76913	0.6
133.84700	0.7
182.92664	0.6
214.66458	0.6
219.97842	1.1
283.09769	0.8
285.07666	4.1
300.10074	25.0
315.12473	20.0
326.22076	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	3.1
57.03435	1.1
59.01394	89.5
63.00428	1.3
69.03452	2.9
71.01391	85.6
72.99302	1.7
73.02956	27.3
75.00862	2.5
81.03467	1.5
83.01385	6.3
85.02964	21.6
87.00883	3.2
89.02447	100.0
95.01414	2.8
97.02949	13.8
99.00879	28.9
101.02438	35.6
105.16361	1.4
113.02448	17.4
115.03991	8.5
119.03477	6.1
125.02435	24.4
131.03464	12.3
143.03462	5.9
149.04565	32.9
159.02985	2.9
161.04526	26.7
188.05623	2.9
191.05704	11.3
221.06538	1.9
233.06648	16.2
239.55667	1.7
244.72420	1.6
251.07948	1.8
257.00949	1.7
293.08804	38.6
307.63431	1.6
378.14127	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.8
57.03444	1.4
58.00596	4.0
59.01388	81.7
61.98828	2.0
64.33785	1.0
69.03452	6.2
71.01381	90.7
72.01679	1.1
72.99303	1.4
73.02950	26.5
75.00857	2.4
81.03461	1.2
81.15494	1.1
83.01389	8.0
85.02940	21.7
87.00864	1.2
87.04504	22.1
89.02436	100.0
95.01389	2.3
96.96013	1.9
97.02943	10.8
99.00864	32.7
99.04469	1.7
101.01770	1.4
101.02431	32.8
113.02437	18.2
115.03976	9.6
119.03493	1.6
125.02427	25.8
126.05638	1.4
127.03885	1.4
130.60840	1.1
131.02576	2.3
131.03490	39.6
131.04401	2.2
143.03468	3.9
149.04564	31.5
161.04549	23.9
188.05589	1.3
191.05568	11.2
221.06685	2.1
233.06670	15.3
245.53920	1.3
246.09785	1.5
251.07890	2.1
293.08823	30.5
341.10950	4.0
342.11383	5.1
377.40250	1.1
378.03732	1.1
378.08926	5.5
378.14008	32.1
379.08496	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	378.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01717	7.0
60.69747	4.3
61.14381	4.7
61.98828	44.8
62.28906	3.9
94.78558	5.3
121.60556	5.1
163.80873	5.5
269.94073	5.4
378.18726	17.0
383.42453	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	378.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01114	3.8
59.01390	100.0
60.01728	4.9
61.98835	26.2
66.15944	2.3
67.87605	2.4
91.00256	2.4
92.64808	3.7
93.46249	2.8
110.26902	2.7
116.61799	3.1
118.07153	2.8
169.04842	3.1
219.97850	6.2
270.74338	3.0
378.18393	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63037	0.9
54.82317	0.9
56.15305	0.9
57.34643	0.9
57.87558	0.9
59.01391	22.4
60.59498	0.9
61.98830	6.0
78.95905	5.6
150.99188	1.7
152.97144	5.6
176.87183	2.0
191.34792	1.4
192.95018	2.2
194.98187	67.5
195.61281	1.3
195.98175	1.2
201.02602	6.5
203.02328	1.2
208.98228	4.2
210.96243	5.7
220.99652	1.8
234.96172	1.7
236.99252	2.4
249.65228	1.1
250.99277	6.1
252.97232	63.8
253.97282	1.4
258.96320	1.8
276.97153	16.8
294.85629	1.2
294.98306	100.0
295.86316	1.7
295.98474	1.5
302.54861	1.1
318.97836	1.6
336.99371	83.6
337.99231	1.9
347.66864	1.1
379.00620	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	379.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.2
70.06808	0.1
75.72517	0.2
80.25335	0.2
84.93892	0.9
99.92579	66.7
100.92625	0.7
100.93341	4.7
115.92073	30.5
116.92855	100.0
117.92868	1.0
127.95694	0.4
132.92326	0.2
219.88544	0.2
274.74954	0.2
279.23254	1.1
280.23914	0.2
293.21347	0.3
317.15683	0.4
335.17038	1.4
349.14597	0.2
361.14886	1.0
366.24426	0.2
367.16104	0.2
375.12762	1.8
379.15866	47.0
380.16095	1.1
387.89371	0.2
389.10422	0.2
393.13675	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85650	0.4
52.18223	0.4
55.01875	2.7
57.03447	0.9
58.00591	3.5
59.01387	100.0
61.98820	3.0
67.71570	0.5
69.03448	1.1
71.01382	61.5
72.99298	3.3
73.02943	17.1
75.00870	0.8
81.30639	0.5
83.01382	2.3
85.02953	10.4
87.00899	0.6
89.02440	86.1
94.66327	0.5
95.01373	3.0
97.02943	0.9
99.00880	25.3
101.02440	33.1
104.73209	0.5
111.00931	0.8
113.01708	0.8
113.02448	16.4
119.03482	14.4
124.20532	0.6
125.02444	4.0
131.03488	8.9
143.03514	2.7
149.04556	31.0
161.04555	3.2
179.05609	6.3
191.05650	9.9
221.06689	2.1
233.06693	0.6
247.11868	4.1
251.07658	4.9
379.11267	1.2
379.16165	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34290	0.9
55.01887	1.6
56.89483	0.8
57.03456	100.0
59.01386	74.4
61.98832	1.0
63.72810	0.8
71.01382	18.7
73.02953	9.9
81.03441	3.9
83.01392	5.9
83.05022	9.7
83.05871	0.9
85.02941	11.0
87.00862	1.0
89.02439	5.6
92.12415	2.3
95.01364	1.0
99.00884	1.7
99.04514	50.9
101.02430	34.1
101.06105	1.2
105.78752	1.1
107.04061	1.1
110.02473	1.5
113.02451	10.7
113.03619	1.3
121.03002	1.2
125.02433	17.5
133.34430	1.0
143.03517	1.5
145.05063	2.0
147.04539	2.0
152.07092	1.2
161.04538	7.8
164.07216	4.2
165.07533	1.5
199.13580	1.2
207.79306	1.2
217.03035	1.2
235.11884	31.9
277.12839	1.4
341.10913	7.3
343.12897	1.7
344.13382	6.6
352.51794	1.2
360.15503	1.0
361.15884	1.7
379.08279	5.8
379.15497	10.6
379.19800	4.8
379.23682	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1976
Annotation	JBIR-57
Peak:m/z	Relative Intensity
51.66996	0.5
54.16189	0.5
55.01884	1.1
57.03450	0.6
59.01388	100.0
61.98840	0.6
64.17267	0.4
65.10545	0.5
65.86792	0.5
68.58502	0.5
68.89577	0.5
71.01383	12.5
72.99307	0.6
73.02948	5.4
83.01393	3.9
85.02954	9.5
89.02440	2.7
95.01382	2.1
99.00864	2.3
101.02434	12.2
113.02440	5.9
119.03480	0.7
140.57031	0.6
159.02977	0.8
161.04568	3.6
216.94299	0.6
319.17789	3.7
341.10849	3.3
379.08597	2.4
379.19775	92.5
380.20181	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	379.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19371	0.2
56.82903	0.2
59.01389	100.0
64.78347	0.2
74.41463	0.2
75.00848	1.2
76.57269	0.2
94.58144	0.2
101.06363	0.2
132.33188	0.3
167.89996	0.3
196.75766	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41097	0.3
54.82541	0.3
56.75669	0.3
59.01385	100.0
61.69158	0.3
70.31199	0.3
79.26087	0.3
82.48649	0.3
82.85585	0.3
85.63050	0.3
98.69546	0.3
115.68977	0.3
130.61742	0.4
222.55620	0.3
253.83463	0.3
273.05005	0.4
298.15765	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23918	0.2
54.82113	0.2
58.41446	0.2
59.01388	100.0
61.98831	0.6
96.07117	0.2
103.69596	0.3
137.07326	0.3
293.77362	0.3
320.44608	0.3
379.08435	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44820	0.6
59.01396	100.0
61.98835	5.0
78.95939	0.7
89.02437	0.7
89.05860	0.8
116.97186	0.9
129.60161	0.9
142.94737	0.8
164.62491	0.9
217.00465	0.8
218.60800	0.7
319.19485	1.7
343.24817	1.4
379.08633	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04960	43.9
59.01407	60.6
61.17659	49.2
61.98840	94.3
65.32637	44.3
83.03974	58.3
87.91219	48.9
91.40138	49.0
94.37060	48.7
111.91080	50.1
116.92859	100.0
141.15059	48.4
201.33078	62.2
282.88568	55.1
356.98755	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69523	2.7
57.32915	2.6
59.01104	3.9
59.01383	56.2
60.01690	4.2
60.02226	2.7
69.92270	2.4
71.01376	44.9
71.60201	2.9
72.01713	4.0
73.02954	2.7
73.59140	2.6
80.83168	2.3
81.49890	2.5
85.02930	6.4
87.00872	12.6
89.02438	65.3
90.02743	5.3
92.44373	2.4
95.57486	2.8
101.02435	20.0
106.54433	2.5
113.02429	12.7
115.00385	4.3
119.03485	20.9
120.03856	4.4
123.47041	2.8
135.03088	3.6
138.05588	3.5
146.08203	4.6
179.05620	15.8
180.05978	3.5
200.05754	3.8
217.02928	19.6
218.03308	6.5
257.83624	3.1
269.47482	2.7
294.53992	2.7
327.70020	2.9
341.10889	63.7
342.11261	100.0
343.11356	11.3
344.11670	6.8
379.08340	48.1
380.08475	81.6
380.16290	6.2
381.09183	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	380.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52560	0.7
55.01870	1.1
56.13739	0.6
57.03439	3.8
58.00603	1.1
59.01114	1.1
59.01386	28.2
63.12835	0.7
71.01384	51.8
72.99322	1.0
73.02946	20.0
73.35058	0.8
78.95904	1.6
83.01381	4.4
84.04530	2.1
84.48709	0.8
85.02954	9.7
85.71941	0.8
87.00843	3.7
88.04039	12.9
89.02444	18.1
94.06606	5.9
95.01385	1.2
96.95998	1.8
96.96959	1.4
99.00863	1.7
101.02456	15.8
102.05600	16.3
103.03996	1.9
113.02445	11.9
115.00362	24.6
117.01940	22.2
119.03481	10.3
130.08743	6.0
132.03098	1.4
133.01407	1.2
135.02963	3.7
136.03281	1.4
138.05591	21.3
146.08234	2.0
153.54602	0.9
156.06638	1.4
161.04536	5.0
174.07713	10.4
179.05600	3.9
182.04588	9.1
264.10873	1.8
265.09363	7.3
332.27570	0.8
336.12967	5.9
342.11273	3.8
354.74838	1.2
380.12012	100.0
381.12292	1.5
403.83392	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	380.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46693	0.5
54.29836	0.4
59.01386	27.2
59.01686	0.9
71.01382	39.4
71.05019	9.3
71.24006	0.5
72.01735	0.7
72.99309	0.7
73.02961	1.1
83.01375	1.2
85.02944	3.5
88.04041	6.4
89.02441	11.1
95.01376	0.5
95.46441	0.6
99.04513	3.5
101.02438	10.2
113.02461	5.7
116.03567	1.4
116.07166	2.4
119.03488	4.5
120.81342	0.5
128.03560	0.8
128.07205	4.2
129.05560	0.6
137.32111	0.6
146.08241	72.0
161.04570	1.4
163.19696	0.5
163.92053	0.5
176.35898	0.5
218.10442	0.9
230.05289	0.7
244.32341	0.6
308.13544	6.6
331.05325	0.8
380.15662	100.0
381.15964	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	380.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85595	1.7
54.68928	1.8
54.81857	2.4
59.01386	100.0
60.01703	5.0
61.01814	3.7
61.98833	23.7
66.59844	1.8
82.95410	29.1
92.11779	2.5
174.99229	19.8
211.38696	2.4
217.00302	62.8
217.23531	2.1
254.11954	2.6
266.80151	2.3
283.09555	2.7
380.20016	13.7
389.98047	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	380.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01113	4.4
59.01392	100.0
60.01706	2.9
60.33132	2.1
61.26331	2.0
61.62045	1.9
61.98825	10.3
64.01173	2.1
71.17093	2.6
102.67041	2.3
170.71910	2.6
174.99225	22.8
183.08929	2.3
197.19814	2.4
210.76430	2.7
216.98357	3.8
217.00343	72.8
218.19759	2.3
276.08365	2.5
290.92929	3.1
379.06842	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	380.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80976	0.2
56.70881	0.2
57.69918	0.2
58.02988	0.2
59.01384	17.5
61.98831	2.7
72.99305	1.1
75.00866	100.0
87.00868	1.6
92.75057	0.3
93.03454	0.4
108.04568	0.9
109.02959	1.2
123.00891	1.4
124.01655	5.2
132.98186	0.4
134.02484	2.2
135.03282	1.5
136.01630	1.0
136.04018	4.7
139.03998	3.6
146.14551	0.3
151.03995	1.0
174.99239	5.1
190.03694	0.2
190.83403	0.2
201.02650	0.3
217.00314	15.4
221.57127	0.2
270.69736	0.3
288.16077	9.3
288.19125	0.4
315.29349	0.2
371.04575	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50166	0.2
59.01387	100.0
61.98840	0.7
62.28125	0.3
63.22520	0.3
68.87626	0.3
75.34829	0.3
139.86324	0.2
159.34810	0.3
176.28093	0.3
196.38623	0.3
217.00253	0.4
282.06467	0.3
320.26154	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0617
Annotation	12a-Hydroxypachyrrhizone
Peak:m/z	Relative Intensity
56.24519	0.4
59.01374	0.7
73.45209	0.5
92.12363	1.0
135.00882	2.2
136.07716	0.9
145.57976	0.6
163.00375	22.1
176.01247	0.7
182.03752	0.6
190.99863	11.0
195.04501	1.3
206.02226	2.1
206.03818	2.3
207.04507	3.1
211.04010	0.7
223.04039	9.2
234.03314	2.4
235.04094	2.4
251.03534	12.8
252.04042	0.6
261.50357	0.6
262.02676	4.6
263.03506	0.9
267.02899	2.6
276.44083	0.5
278.02396	0.8
279.03009	62.2
280.03671	3.4
290.02209	6.0
292.03876	1.1
293.04700	3.8
294.05280	3.8
295.02515	6.6
305.04645	8.2
305.27060	0.5
306.01727	4.8
307.02524	67.3
308.02942	0.9
321.04044	13.0
322.04865	26.6
323.02005	19.3
325.03613	3.4
333.04144	0.8
338.04294	1.0
350.97305	0.6
351.01486	16.8
366.03836	29.4
377.02744	0.7
381.06198	100.0
382.06308	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60309	0.8
57.51353	0.9
59.01109	1.7
59.01388	47.9
61.98822	6.6
64.29381	1.1
72.10080	1.0
74.02437	1.0
174.99231	5.0
207.04532	12.0
211.04008	1.4
217.00296	13.8
223.04028	5.7
227.03513	2.6
235.04054	2.2
251.03494	21.2
253.01451	2.6
255.03169	1.2
266.91312	1.2
267.02960	8.5
279.02997	40.1
294.05298	10.4
295.02551	27.4
307.02414	4.8
309.03885	1.4
323.01999	96.6
338.04196	4.2
351.01501	65.3
365.02994	2.2
366.03833	74.7
381.06189	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	381.062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28691	0.2
59.01103	0.3
59.01389	6.0
61.98819	0.9
63.02396	0.3
64.60735	0.2
65.00330	0.2
68.79859	0.2
73.70878	0.2
91.01889	1.1
104.02636	0.3
119.01382	1.1
119.05005	0.3
135.00874	6.1
147.00917	1.2
148.01662	0.5
163.00377	100.0
164.00708	0.3
174.99207	1.5
176.01114	2.9
190.99876	54.9
192.00208	0.3
206.02217	11.3
217.00314	3.7
251.03610	0.3
270.74457	0.3
279.03018	4.3
307.02484	0.5
337.03690	0.4
338.04483	0.5
353.06592	0.4
366.03833	14.3
367.03937	0.3
381.06213	40.4
382.06567	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.062
Annotation	Bikaverin
Peak:m/z	Relative Intensity
51.20996	0.4
59.01104	0.8
59.01387	15.9
60.47291	0.5
61.98819	1.0
64.68470	0.5
75.35163	0.5
82.95413	3.9
95.77451	0.5
96.96016	0.6
97.26884	0.6
147.32344	0.6
195.04541	1.3
206.03822	1.3
217.00270	0.9
222.03003	0.6
223.04039	9.5
234.03149	4.3
235.04004	2.1
251.03496	8.0
262.02710	7.2
264.04282	0.9
278.02237	0.9
279.03003	73.5
280.03607	3.5
289.17487	0.7
290.02225	8.7
293.04483	5.2
294.05328	1.4
295.02393	0.6
305.04568	10.8
306.01645	6.2
307.02521	87.1
308.02713	2.5
321.04108	18.3
321.21820	6.8
322.04874	34.5
323.05347	0.8
325.03650	5.4
327.05219	1.2
333.03958	0.7
345.23044	0.7
366.03870	13.4
381.06192	100.0
381.19421	2.5
382.06686	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82608	0.4
59.01115	0.6
59.01389	16.2
61.98841	0.6
74.90699	0.4
80.55177	0.4
80.91701	5.0
92.11691	0.6
96.96004	0.8
100.99146	0.4
163.34656	0.5
169.25244	0.4
174.99255	4.5
186.73947	0.5
217.00325	14.6
217.02441	0.5
254.05853	2.8
269.08228	33.0
283.09839	0.9
284.10577	100.0
285.10934	0.7
289.71631	0.4
299.12924	95.3
300.13385	0.8
381.17416	3.4
404.85934	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21940	0.1
53.35528	0.1
53.87087	0.1
59.01374	0.2
84.93890	1.0
99.92589	58.7
100.92595	1.0
100.93365	3.2
114.93442	0.2
115.92078	30.2
116.92862	100.0
117.92871	1.7
117.93660	0.4
127.95687	0.3
131.91505	0.2
132.92371	0.2
195.31448	0.1
251.23912	0.6
281.24847	0.6
282.25168	0.3
307.40082	0.1
337.18311	0.8
351.16428	0.7
353.81500	0.1
369.17334	1.3
381.17435	50.7
382.17783	2.3
395.15396	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	9.7
57.03449	5.7
58.00587	1.2
59.01393	46.9
59.87894	0.9
61.98838	1.2
64.98507	1.0
69.03448	2.3
71.01390	58.8
72.99319	2.3
73.02599	1.7
73.02955	30.7
75.00864	1.6
81.03441	5.3
83.00980	1.1
83.01393	18.3
84.16651	1.0
85.02956	32.9
87.00864	4.3
89.02448	14.7
95.01380	2.0
97.02926	5.8
99.00903	12.2
101.02441	67.1
111.00860	4.1
113.01722	1.6
113.02457	26.8
115.04015	1.3
122.29951	1.2
125.02427	10.1
129.01920	1.8
129.92879	1.1
134.03726	14.6
143.03471	4.4
159.02917	4.2
161.04549	17.8
187.02460	1.5
193.05113	8.3
205.03548	1.7
249.13429	77.9
257.65363	1.2
337.20120	10.2
380.43100	1.1
381.17761	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	381.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94646	0.6
55.01891	8.0
57.03445	3.9
58.00621	0.8
59.01385	45.8
60.31266	0.7
71.01379	49.8
72.99293	1.6
73.02945	29.9
75.00857	1.7
81.03423	0.8
81.34765	0.7
83.01386	15.0
85.02944	32.3
85.06585	1.1
86.00090	1.9
87.00855	1.5
89.02441	9.1
95.01373	3.3
97.02939	1.7
99.00875	9.2
101.02438	63.0
111.00899	2.9
113.01700	1.2
113.02436	17.8
115.03989	1.5
116.50948	0.7
125.02438	4.0
129.01921	1.5
131.03506	1.7
133.58238	0.8
143.03497	1.3
159.02977	5.8
161.04549	15.6
205.03564	1.6
233.06606	1.1
249.13440	79.8
250.13599	0.8
306.24066	0.8
381.17673	100.0
382.17963	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82348	3.9
58.10795	5.1
59.01385	100.0
61.98817	8.4
174.99249	18.7
217.00308	64.0
345.22830	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
60.01700	0.4
61.98841	1.1
64.69315	0.2
65.29791	0.2
68.32211	0.2
70.82124	0.2
72.08102	0.2
73.55061	0.2
88.68413	0.3
89.01190	0.3
90.93340	0.2
96.63598	0.3
125.72389	0.3
132.98186	0.3
158.90544	0.3
174.99298	3.0
185.22456	0.3
217.00316	10.0
225.09644	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06137	0.3
59.01388	100.0
60.01720	0.4
60.42972	0.3
61.98836	0.9
63.11207	0.4
77.65427	0.3
86.93151	0.4
106.16334	0.4
116.92928	0.4
127.54755	0.4
174.99263	3.7
175.90395	0.4
217.00325	11.3
218.00595	0.5
246.56570	0.4
308.53363	0.4
358.13855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2802
Annotation	Strongylophorin 22
Peak:m/z	Relative Intensity
51.63387	0.5
54.66019	0.4
75.96842	0.5
77.71017	0.5
92.64760	0.7
107.44485	0.5
114.78382	0.5
118.28848	0.5
131.09868	0.6
136.81390	0.6
145.92999	0.5
147.08128	2.2
149.09702	5.1
163.11276	99.3
164.11600	3.0
197.63371	0.5
205.15979	91.1
206.16319	4.0
206.89723	0.6
219.17558	2.8
318.38483	0.5
381.28018	100.0
382.28482	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	382.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00566	0.5
59.01387	11.3
61.98835	6.6
66.41071	0.6
71.01385	8.3
72.99295	1.0
73.02945	0.6
75.00867	18.4
78.95913	0.6
82.95408	0.7
84.95114	2.3
85.02932	3.5
87.00871	10.6
89.02429	4.6
91.81288	0.6
96.96011	1.2
96.96949	0.8
101.02426	3.7
113.02438	1.3
113.03577	3.3
113.09760	0.6
115.05536	7.5
116.05049	3.9
129.22382	0.6
130.06618	9.3
132.04544	24.2
134.81992	0.6
144.04539	1.1
157.05365	0.7
158.06104	100.0
174.05600	2.6
176.07188	0.8
202.03227	0.5
202.05090	29.3
220.06161	5.6
237.06166	3.5
249.06180	5.7
382.11469	42.4
383.11374	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27527	0.3
54.82819	0.3
55.41840	0.3
57.82263	0.4
59.01379	2.9
61.98829	0.6
64.09393	0.4
71.01385	0.7
76.57969	0.4
86.16927	0.4
89.02443	0.7
96.63710	0.4
100.79079	0.4
101.02435	0.6
117.18327	0.4
129.68175	0.4
147.08136	0.5
155.31061	0.4
162.10497	3.7
163.11292	100.0
164.08427	0.5
164.11627	1.5
169.89243	0.5
176.36583	0.4
179.10771	1.7
194.09503	9.0
197.56866	0.4
206.15521	49.2
207.15773	0.6
225.27496	0.5
230.61253	0.4
278.09290	0.5
282.22195	0.4
291.19574	0.7
309.20813	1.8
314.06094	0.9
323.09799	1.6
337.21625	0.5
347.16809	0.5
382.27588	67.2
383.27872	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	382.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11632	0.1
59.01388	100.0
71.36460	0.1
83.98165	0.2
88.26119	0.2
92.11791	0.3
92.65498	0.2
114.38551	0.2
115.23177	0.2
148.03816	0.2
148.47896	0.2
163.38258	0.2
222.00420	0.2
322.27628	1.2
323.10022	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0778
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
51.47828	0.2
54.82625	0.3
56.42459	0.2
59.01390	3.8
59.30104	0.2
61.98833	1.2
68.57741	0.3
68.99809	1.2
71.01391	1.1
85.02963	0.6
89.02467	1.1
98.42825	0.3
101.02434	0.3
101.03935	0.4
102.24541	0.3
113.02454	1.4
119.05024	1.1
121.02950	100.0
122.03310	0.5
127.32220	0.3
128.35764	0.3
131.44057	0.3
142.59123	0.3
145.02956	0.4
147.04530	2.3
149.02483	1.5
161.04480	0.4
162.03256	0.3
164.48888	0.3
173.02487	0.4
176.68138	0.3
180.05812	1.1
181.06590	4.3
186.58951	0.2
191.03508	9.1
217.04971	0.4
223.07764	0.4
225.05579	6.4
251.07173	3.3
254.90430	0.3
263.95685	0.3
269.08353	0.4
295.06158	7.8
311.09280	9.9
313.07239	14.1
323.09970	2.2
339.08795	12.3
343.79681	0.3
383.07758	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	383.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31730	0.3
57.08780	0.2
59.01387	21.5
61.98828	0.7
66.95918	1.5
67.38879	0.3
71.01385	1.3
82.95415	100.0
85.02962	0.4
89.02415	0.5
99.00819	0.4
113.02456	1.5
158.07442	1.3
161.04564	0.7
219.97858	0.4
269.08148	0.5
284.10583	2.3
285.10959	1.3
286.11224	1.6
291.19751	0.7
299.13034	1.6
300.13275	1.8
301.13416	1.8
309.20856	4.4
323.09549	2.5
323.12866	1.7
398.61768	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.099
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82882	0.4
55.01887	8.8
59.01384	5.0
61.98841	4.3
67.01884	0.4
69.03459	100.0
70.03767	0.7
71.01378	3.6
72.99323	1.6
85.02955	0.9
89.02462	2.0
95.01373	3.4
97.02951	23.8
99.00874	25.4
101.02448	0.8
113.02496	2.2
113.33087	0.5
119.03491	0.6
123.00912	0.5
141.01956	6.5
153.09286	0.9
161.04634	0.6
185.00928	38.5
203.02060	3.1
285.15121	0.5
323.09998	3.0
347.17239	2.4
383.09933	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	383.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22484	0.6
54.25975	0.5
55.01886	0.6
57.03458	1.2
59.01384	32.8
71.01377	15.3
73.02945	50.0
75.00887	0.6
83.01396	1.0
85.02953	17.5
87.00876	1.2
88.04005	0.6
89.02442	19.5
99.00850	6.2
99.04537	1.3
101.02437	11.2
103.04008	22.7
113.02456	7.3
115.00325	0.8
116.07172	3.9
116.92854	3.0
117.01933	72.5
117.07475	1.0
118.02287	2.5
119.03479	6.6
130.08705	3.4
133.01450	1.0
147.98997	0.7
158.08212	2.7
159.08690	0.8
161.04568	0.9
179.05647	1.0
203.10397	0.7
211.16228	0.8
265.09302	100.0
266.09851	1.2
316.80066	0.8
323.09909	1.1
341.10721	0.9
383.24234	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1384
Annotation	DODECAMETHYLPENTASILOXANE
Peak:m/z	Relative Intensity
54.24228	0.7
55.01863	0.8
57.03454	0.7
58.00586	1.7
59.01387	76.9
64.33712	0.8
68.85500	0.6
69.03458	5.2
71.01383	34.8
72.99303	1.4
73.02936	1.5
74.99101	1.0
81.60677	0.8
83.01363	1.2
85.02943	8.7
87.00885	6.0
89.02439	47.4
94.17967	0.8
95.01367	4.0
97.02948	9.5
99.00890	1.9
101.02433	25.4
108.87868	0.8
109.24104	0.9
111.00927	0.7
111.04515	1.0
113.02450	16.0
115.05885	0.9
117.51657	0.7
119.03487	16.0
123.08144	3.4
131.03487	1.4
133.06874	1.5
141.01927	4.3
141.09215	4.1
143.03557	0.9
153.09213	3.8
161.04507	1.8
162.03485	0.7
179.05602	1.5
185.08197	11.4
195.76062	0.8
203.01997	12.7
241.80180	0.9
295.12164	4.5
323.09860	3.6
383.13858	100.0
384.14575	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00609	1.3
59.01387	61.4
71.01382	50.0
72.00906	12.8
72.99327	0.9
73.02917	1.1
74.02470	18.1
76.39774	1.1
83.01372	1.2
85.02951	5.6
87.00861	1.1
89.02443	69.1
91.53737	0.8
92.11848	3.6
92.12374	1.8
94.18558	0.9
95.01376	1.3
96.26260	0.8
101.02439	15.0
113.02443	14.2
116.04232	2.0
116.05055	59.5
119.03500	9.2
130.06493	0.8
131.03471	1.8
142.06604	15.8
143.03539	1.8
149.04564	2.3
159.09309	10.8
161.04570	3.7
179.05629	15.3
203.08295	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	383.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69890	0.3
56.17329	0.3
57.03455	0.6
59.01384	9.0
61.98814	1.8
64.40060	0.4
71.01378	2.5
72.18469	0.4
77.14690	0.5
77.35409	0.4
81.54547	0.5
83.87939	0.4
84.95095	0.7
85.02940	0.8
89.02429	2.8
91.04012	2.3
95.01413	0.5
95.04956	0.5
97.03004	0.5
97.06604	2.3
101.02439	0.8
113.02463	1.0
113.09717	1.9
115.07670	2.0
119.29787	0.4
125.06059	1.2
127.20466	0.5
141.09225	1.0
144.67395	0.5
161.04613	0.9
165.12856	3.5
167.10764	0.6
167.14375	1.9
181.12337	4.2
183.13879	2.2
193.12274	0.8
195.13943	3.0
211.13417	3.4
213.14952	0.9
219.97855	0.6
221.15477	2.6
229.14493	0.6
233.92221	0.5
239.12776	0.7
240.13609	1.1
245.19165	0.6
247.20647	6.5
259.17093	0.5
263.19980	0.8
265.21524	0.7
273.18524	4.0
281.21277	2.0
291.19699	42.2
292.19885	0.7
301.64206	0.6
309.20761	100.0
310.21115	3.2
313.16364	0.8
314.17392	2.5
317.62628	0.5
323.09927	3.5
341.10379	0.7
382.84796	0.5
383.24402	5.0
383.28918	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
59.01385	15.5
60.01725	0.9
60.63039	0.5
61.98827	2.4
62.92723	0.5
69.03445	0.6
71.01369	3.7
76.56987	0.5
83.05019	0.6
85.02945	0.7
89.02438	2.6
91.03990	1.2
97.06583	2.3
101.02448	0.9
104.00726	0.5
110.90408	0.5
113.02476	1.7
113.09719	2.1
113.49006	0.5
115.07633	0.7
125.06047	1.2
126.06857	0.7
139.11261	0.6
141.09198	1.1
151.11253	0.6
159.28236	0.5
163.11337	0.7
165.12920	3.8
167.14468	1.1
181.12355	4.2
183.13925	0.9
193.12375	2.3
195.13924	2.6
201.86029	0.5
211.13422	3.6
221.15469	2.2
229.14523	0.8
240.13737	2.9
247.20651	5.6
255.77716	0.5
265.21936	0.6
273.18546	3.4
281.21106	0.9
291.19699	40.9
309.20746	100.0
310.21085	2.2
314.17404	1.2
323.09848	3.3
383.24338	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	383.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61781	0.2
58.82789	0.2
59.01384	2.3
61.98833	100.0
65.55529	0.2
71.01385	0.2
78.32722	0.2
85.02972	0.2
85.67582	0.2
89.02428	0.3
101.02431	0.2
103.67022	0.2
113.02458	0.3
114.48804	0.2
114.49612	0.2
122.66379	0.2
124.16307	0.2
210.92369	0.2
257.62286	0.2
269.79343	0.2
294.36356	0.2
323.09955	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27200	0.2
56.35853	0.2
59.01388	100.0
61.98836	0.5
64.34425	0.2
76.30615	0.2
89.02433	0.2
94.94806	0.2
107.47884	0.2
115.33777	0.2
115.84637	0.2
174.03906	0.2
212.53284	0.2
231.40724	0.2
234.68053	0.2
242.24879	0.2
302.22260	0.9
322.27478	0.2
324.29126	1.0
337.46317	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.0
61.98815	0.7
67.08724	0.9
69.03464	1.5
71.01381	1.0
78.95913	0.9
91.01884	1.1
93.67892	0.7
107.01372	7.1
113.61718	0.8
119.01373	3.1
123.00832	1.0
135.00864	15.1
146.03725	13.0
147.00923	1.0
150.03221	1.5
152.99625	1.0
161.06013	2.9
162.03180	1.0
162.98991	1.1
163.00368	34.9
164.04791	7.1
173.69739	0.7
175.00456	0.9
179.07141	14.4
187.07732	1.5
190.99867	100.0
192.00652	38.6
193.01392	8.4
194.47847	0.7
206.02217	71.4
207.02994	17.4
257.20694	0.8
303.12454	3.3
309.53516	0.9
341.51202	0.9
385.09354	10.2
385.18274	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0932
Annotation	Cleomiscosin B
Peak:m/z	Relative Intensity
51.02388	0.2
51.23496	0.2
51.67496	0.2
57.43542	0.2
58.91436	0.2
59.01377	1.2
61.98841	0.6
64.09346	0.3
69.03452	2.0
71.01447	0.2
78.95885	0.4
79.65583	0.2
81.03464	0.4
91.01884	0.4
93.03444	0.4
95.01379	0.3
96.95978	0.2
97.02944	1.0
98.29504	0.2
107.01382	5.9
119.01379	2.7
120.02119	0.5
121.02953	1.0
123.00872	1.4
125.02384	0.6
135.00888	16.4
145.02983	0.4
146.03737	12.6
147.00880	1.3
149.02470	1.1
150.03229	1.6
152.99614	0.5
161.06084	2.8
162.03256	0.9
163.00375	33.5
164.01117	1.6
164.02498	0.3
164.04799	8.5
169.64943	0.2
175.00342	2.1
177.01904	1.3
177.05591	0.3
178.02716	0.3
179.05547	0.5
179.07144	15.9
190.99875	100.0
192.00656	49.8
193.01425	11.3
205.01460	1.8
206.02219	79.7
207.03001	21.7
208.03357	0.3
288.06094	0.3
303.12396	2.3
350.32715	0.2
370.06946	0.4
385.09308	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	385.1144
Annotation	Axitinib
Peak:m/z	Relative Intensity
59.01385	13.2
61.98813	1.9
71.01375	4.5
72.99315	2.0
73.02950	3.0
74.02458	1.5
75.00869	1.9
83.01379	2.6
85.02971	5.6
87.00867	8.8
89.02436	1.4
96.95999	2.5
96.96974	1.2
101.02415	1.3
106.92891	1.3
113.02456	1.3
114.05604	2.0
115.00375	8.6
144.77629	1.2
147.04668	1.5
148.05353	2.5
163.03970	1.7
174.01695	60.6
175.02481	6.9
175.03932	3.1
176.04781	44.1
178.06404	5.2
178.99908	5.4
183.55594	1.5
185.08211	1.5
188.04852	5.4
191.07135	36.9
193.08728	1.5
205.05106	1.6
206.99353	24.8
208.00041	8.6
209.08311	2.2
221.08206	9.3
222.01788	1.6
223.02612	1.6
235.06050	9.8
265.07428	2.2
267.08829	2.2
281.10400	1.9
295.08231	5.3
325.09299	26.9
347.12851	1.3
385.07742	5.7
385.11551	100.0
385.24948	2.1
386.11697	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	385.1638
Annotation	(+)-Eudesmin
Peak:m/z	Relative Intensity
51.82258	6.7
51.96004	6.8
55.24866	7.4
55.27481	7.3
59.01379	48.5
61.98835	16.2
66.54675	8.1
69.03459	100.0
71.01398	13.7
84.90277	7.8
85.02927	11.0
88.32291	10.0
95.97019	9.1
97.02943	11.2
99.00889	18.6
109.06603	8.5
113.02515	10.1
179.10759	18.8
183.26033	8.8
185.00932	40.6
186.92355	9.6
258.42133	8.6
347.17096	13.4
385.11716	9.9
385.16388	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1873
Annotation	Corchoionoside C
Peak:m/z	Relative Intensity
52.51968	1.0
55.01888	3.2
57.03448	2.9
57.10523	1.3
58.00598	3.1
59.01388	78.0
61.98854	1.1
69.26421	1.1
71.01379	66.8
72.99287	1.5
73.02944	7.0
78.11608	1.4
83.01392	6.3
85.02953	22.9
87.00864	1.4
88.29028	1.2
89.02433	27.0
92.66683	1.3
94.52518	1.2
95.01387	5.2
95.05050	1.4
97.02987	3.9
99.00845	2.0
101.02435	31.3
103.02841	1.3
113.02441	19.6
113.06042	5.4
118.02995	1.4
119.03464	8.3
122.03745	2.1
123.08180	6.6
125.06111	2.0
136.05287	2.9
138.06863	33.8
139.07646	7.9
143.03497	1.3
149.06046	1.6
151.07648	20.5
152.04845	1.4
152.08444	36.6
153.09215	100.0
159.03021	1.8
161.04590	12.7
163.11313	2.9
165.09212	2.1
179.05583	2.5
187.11302	1.4
189.09328	1.5
190.10027	2.3
205.12346	30.7
219.61261	1.5
223.13394	14.5
247.05952	1.6
251.17876	1.3
263.73917	2.1
271.02478	2.4
300.02725	2.3
385.18768	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	385.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94671	0.2
58.66096	0.3
59.01377	2.0
59.24163	0.2
61.98814	0.7
78.95906	0.7
86.83115	0.3
87.80227	0.3
89.02460	0.4
91.03996	0.7
91.90630	0.3
92.12351	0.4
96.14006	0.3
96.96915	0.3
99.08150	0.3
101.63642	0.3
113.09718	0.7
115.07681	0.7
127.07655	0.3
127.41804	0.3
128.08424	0.4
141.94716	0.3
167.14447	3.3
183.13901	3.1
195.13933	11.8
211.13461	0.7
213.14966	1.5
239.23930	0.5
242.15216	0.7
249.22200	1.4
265.21786	0.7
267.23306	0.4
275.20062	0.4
293.21283	13.4
311.22318	100.0
312.22708	1.5
385.26093	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67450	0.3
52.18950	0.3
54.22784	0.3
57.67107	0.5
59.01369	2.4
72.99326	0.4
78.95897	0.9
80.91667	0.8
113.09692	0.6
113.74711	0.4
115.07644	0.9
121.02948	22.1
122.03294	0.6
125.02200	0.4
127.75432	0.4
128.08446	0.8
135.27838	0.4
136.40689	0.4
167.14441	3.4
179.01099	0.5
183.13898	2.9
193.05074	2.6
195.13893	12.0
213.14952	0.6
242.15395	1.6
249.22237	0.8
267.23318	0.8
275.20102	0.5
293.18069	0.5
293.21317	11.4
311.22321	100.0
312.22629	2.5
313.07104	4.3
385.09399	3.7
385.13843	0.4
385.25977	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	385.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09710	0.1
57.11895	0.1
58.26727	0.2
59.01391	1.8
60.01726	0.2
61.01810	0.4
61.98832	100.0
69.81540	0.2
131.16794	0.1
134.38393	0.2
183.06802	0.2
249.17072	0.1
278.37216	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07266	0.4
59.01385	100.0
61.98833	0.7
66.88242	0.4
67.53112	0.3
69.64349	0.4
73.14910	0.3
116.92870	0.5
129.42484	0.4
134.94130	0.4
141.01750	0.5
192.63397	0.4
212.54260	0.5
219.77596	0.5
230.66489	0.4
312.14258	0.5
320.16986	0.5
326.30701	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71907	0.1
59.01384	0.7
71.01382	0.2
78.95901	8.7
79.95760	1.4
89.02444	0.3
96.96005	100.0
96.96923	16.1
98.95594	0.3
109.02937	0.3
120.99615	0.2
122.96738	0.2
123.04556	0.2
137.02426	0.3
149.14491	0.2
151.04024	0.2
165.01962	0.3
166.02730	0.4
203.07086	0.3
206.05893	0.3
221.08171	0.2
245.08241	0.2
265.07178	0.3
289.07156	1.8
289.17841	0.2
294.71332	0.2
351.16763	0.2
367.17215	0.2
373.92035	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
56.75676	0.6
57.03445	1.3
58.00591	1.6
59.01386	76.2
60.59313	0.5
62.42240	0.6
70.16486	0.7
71.01380	44.4
72.99296	2.6
73.02940	0.7
75.00854	0.7
85.02944	8.6
87.00865	3.7
89.02440	70.9
95.01365	3.6
101.02435	25.0
101.15804	0.6
113.02448	21.6
114.38728	0.6
115.00312	1.1
119.03490	21.6
131.03488	3.1
132.54346	0.7
133.01440	1.3
143.03508	2.7
149.04561	0.8
161.04564	6.0
179.05598	22.9
195.05182	0.9
205.09250	0.6
215.04762	0.6
341.10910	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	387.1665
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
54.91605	0.5
55.01875	0.5
57.03443	0.9
59.01387	100.0
60.49616	0.5
61.98825	2.8
67.14565	0.6
67.76545	0.5
69.17513	0.5
69.95932	0.5
70.96320	0.5
71.01379	17.3
72.99316	1.3
73.02937	1.0
78.95922	1.1
83.01381	0.9
85.02950	5.2
88.98792	2.3
89.02436	19.3
93.53361	0.6
95.01387	2.3
96.96004	12.8
96.96929	2.4
101.02435	10.7
106.51283	0.6
113.02451	6.7
118.59529	0.5
119.03487	6.2
130.08707	1.6
132.86087	0.5
138.05586	1.2
150.03267	1.0
151.03986	0.9
152.01076	0.8
161.04533	0.7
162.55046	0.6
163.11304	4.6
165.05533	0.8
167.03523	1.3
177.49103	0.6
179.05586	0.9
192.00687	1.4
207.10292	11.7
225.11371	0.9
263.33368	0.7
302.83566	0.7
318.50461	0.6
341.11081	1.1
343.20038	1.2
351.16507	3.6
387.16647	96.7
388.16754	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1665
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01877	0.6
57.03450	4.4
58.00594	0.6
59.01387	35.1
61.03198	0.6
61.98825	3.7
71.01035	1.0
71.01384	17.6
72.99281	0.6
73.02931	1.5
74.02467	0.6
76.14093	0.6
83.01361	2.5
85.02949	5.0
87.00877	0.8
89.02433	12.2
95.01374	0.9
101.02436	12.6
109.06567	0.7
113.02447	6.3
119.03509	4.2
123.08125	1.1
136.01640	3.7
148.05080	0.6
149.06070	2.9
151.04013	1.1
153.09215	0.6
163.07660	0.8
163.11314	1.0
165.09274	0.8
165.99333	0.7
179.05614	0.9
181.12248	1.2
181.31119	0.6
183.47687	0.6
192.00664	2.6
202.02785	1.1
203.03526	1.3
210.09048	0.9
217.05075	4.0
225.11371	19.2
256.20337	1.0
318.37985	0.6
339.08780	0.9
341.10947	2.5
357.21500	0.8
387.16641	100.0
387.22006	3.8
388.16992	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1925
Annotation	Trimethobenzamide
Peak:m/z	Relative Intensity
54.82369	1.7
59.01386	16.0
60.92709	1.7
61.98842	11.3
71.01364	1.6
99.08138	3.2
105.33262	1.4
114.38287	1.6
118.75449	1.6
125.09718	2.2
127.11290	3.5
139.11279	14.8
165.12903	2.1
171.10272	37.3
193.08479	7.8
209.11914	1.7
209.41566	1.5
211.13426	28.2
229.14445	13.4
233.11572	19.9
251.12894	1.6
329.23355	62.6
351.21585	9.9
356.39905	1.6
387.19254	100.0
388.19949	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.5
57.03452	6.3
58.00600	2.2
59.01392	100.0
61.98827	8.0
62.92860	1.4
63.82286	1.5
71.01392	67.2
71.05016	3.3
72.99308	2.0
73.02953	10.6
83.01369	6.6
85.02959	22.8
86.13264	1.4
87.00879	2.1
89.02448	44.0
95.01378	5.6
97.02959	2.4
99.00880	3.0
101.02430	34.9
105.01237	1.6
113.02436	22.5
119.03487	13.3
138.06854	16.0
143.03468	1.6
144.55891	1.5
153.09218	42.9
159.02986	1.8
161.04491	14.2
161.48032	1.5
168.23346	1.7
181.12341	2.2
197.15477	1.5
207.13898	3.4
213.53569	1.6
225.14989	49.2
341.11005	1.9
365.62668	1.5
387.16431	5.0
387.20331	98.3
388.20929	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2031
Annotation	Debiloside B
Peak:m/z	Relative Intensity
50.29132	0.5
50.86051	0.5
54.82419	0.4
55.01888	5.1
55.28054	0.4
57.03447	3.6
58.00595	2.4
58.82393	0.5
59.01387	100.0
61.98821	1.2
64.88616	0.5
71.01382	57.7
72.01698	0.8
72.99317	5.0
73.02939	8.0
78.32960	0.5
81.77585	0.5
83.01387	7.2
83.68894	0.5
85.02949	19.3
87.00868	3.2
89.02442	50.1
93.01530	0.6
95.01397	5.3
96.96011	2.3
99.00884	2.7
101.02435	39.9
108.02177	1.1
113.02451	22.6
113.03247	0.9
119.03498	21.3
130.08755	0.7
131.03497	0.8
136.05295	1.1
138.03232	0.5
143.03506	3.0
149.04601	0.9
150.03227	2.4
152.01173	2.8
152.08435	7.5
153.09137	0.8
155.10818	0.6
159.03030	0.8
161.04575	6.6
165.05493	0.9
167.03532	1.3
179.05573	5.3
225.14967	4.1
341.10922	2.4
351.16818	0.6
387.16522	5.2
387.20456	55.7
388.20938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01311	39.9
51.76241	40.5
56.41632	43.7
59.01379	100.0
83.39909	52.5
92.12416	65.9
112.60886	56.7
369.65927	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88496	0.2
58.07188	0.2
59.01395	100.0
100.04634	0.2
110.94833	0.2
111.26602	0.2
136.54593	0.2
167.56714	0.2
205.39124	0.2
294.46332	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08201	0.2
51.56000	0.2
55.68813	0.2
55.99768	0.2
59.01387	100.0
61.98824	0.4
102.53029	0.3
108.27113	0.3
116.92873	0.3
141.01782	0.5
301.77121	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.3
61.80790	0.9
61.98841	1.4
71.01389	2.0
85.02931	2.3
86.05621	0.8
88.17478	0.9
88.98810	3.7
89.02450	2.0
96.96029	4.2
101.02432	1.5
114.05608	1.5
114.38947	0.9
121.02941	6.1
122.14870	1.0
123.00833	1.1
125.02441	4.9
130.94766	0.9
137.02406	1.2
147.61934	0.8
151.04002	3.6
152.01152	37.9
153.01936	100.0
159.02861	1.1
161.57849	1.0
167.03490	27.5
168.04271	83.5
179.03473	5.4
183.06622	64.0
193.05064	6.8
194.06000	1.2
208.07291	1.0
209.04587	4.7
209.08205	5.8
216.45015	0.9
225.21429	1.0
227.05588	3.6
227.14021	3.5
266.12091	0.9
315.07324	9.7
330.09518	8.0
389.10977	10.3
389.77481	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52750	0.3
59.01379	1.5
60.34126	0.3
61.98825	0.6
71.05020	0.7
71.82202	0.4
82.99136	0.4
86.40788	0.4
87.04533	1.6
96.50761	0.4
107.70754	0.4
108.02178	2.1
111.82319	0.3
115.04005	100.0
123.04521	0.5
135.71463	0.4
142.05095	11.4
152.01167	1.5
164.07155	0.5
167.03459	3.7
221.10271	0.4
353.14594	2.3
389.12112	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	389.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94193	0.1
54.58433	0.1
56.46500	0.1
56.52252	0.1
57.06524	0.1
59.01382	0.9
61.98837	1.4
71.01372	0.2
71.05000	1.1
82.15665	0.1
87.04514	2.1
92.12453	0.2
96.95998	0.5
99.04531	0.3
99.38913	0.1
108.02180	2.2
115.04009	100.0
116.04362	0.9
123.04546	1.0
128.03557	0.3
140.11224	0.2
142.05099	12.0
151.04044	0.3
152.01167	1.6
164.07188	0.6
167.03494	3.6
168.04187	0.2
173.65717	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	389.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
57.03443	0.9
59.01387	83.5
59.32560	0.6
59.77407	0.7
61.98816	0.9
71.01382	15.8
72.99323	0.8
73.02939	3.1
83.01385	1.5
85.02965	6.5
85.05070	0.8
87.00871	0.7
89.02438	10.2
90.79906	0.6
97.06639	0.8
98.67434	0.6
99.00889	1.0
101.02438	13.2
113.02458	7.7
116.12902	0.7
119.03506	3.2
121.02068	1.2
121.02947	37.2
129.05434	0.7
165.12903	4.8
179.05621	0.8
209.04564	20.7
209.11839	8.9
215.10036	0.7
227.12782	0.7
246.23419	0.7
262.46179	0.7
371.17337	0.8
389.18213	100.0
390.18283	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2186
Annotation	Sedumoside C
Peak:m/z	Relative Intensity
50.82707	0.5
54.54927	0.6
55.01881	1.5
57.03453	0.9
59.01386	42.9
61.98816	3.0
64.48598	0.6
66.33943	0.6
71.01384	18.6
71.24254	0.6
71.32748	0.7
72.99287	1.2
73.02941	2.8
83.01392	3.0
85.02958	6.9
89.02431	13.5
95.01381	1.3
99.00843	0.7
99.08145	1.3
101.02434	12.8
101.61604	0.9
108.40443	0.8
113.02446	6.9
113.09776	1.0
119.03510	3.8
121.02943	2.9
136.09491	0.7
139.93352	0.7
175.69902	0.7
181.15950	1.1
209.04660	1.2
209.15494	6.0
227.16573	11.8
287.72034	0.7
357.26035	1.1
365.90735	0.9
371.20673	1.4
389.21869	100.0
390.22281	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2186
Annotation	Leu Ala Trp
Peak:m/z	Relative Intensity
55.01886	2.5
55.64011	0.2
57.03455	1.7
58.00585	0.4
59.01387	20.1
63.95310	0.2
64.06712	0.2
68.99316	0.3
69.03444	0.4
71.01382	14.9
71.05006	0.3
72.99300	1.7
73.02943	3.3
75.20326	0.3
78.93611	0.2
83.01389	3.8
85.02469	0.4
85.02953	6.7
86.00092	0.4
87.00868	1.6
89.02435	2.3
92.65715	0.3
95.01369	1.1
97.02941	0.5
99.00887	1.2
101.02437	6.8
111.00864	1.2
112.01642	0.3
113.02450	2.8
121.02991	0.4
124.01627	0.4
125.02471	0.6
142.02747	0.3
143.03510	0.4
144.80084	0.3
181.16014	1.5
209.15472	1.5
227.16541	20.8
228.16957	0.3
239.16559	0.4
254.09880	0.3
298.16998	0.3
348.82547	0.3
359.05389	0.3
371.20740	4.1
389.21866	100.0
390.22079	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	389.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	3.1
57.03461	4.6
58.00598	2.0
59.01386	100.0
61.98818	2.2
67.90646	1.3
71.01382	68.3
72.99308	3.3
73.02956	11.7
76.57053	1.5
77.13009	1.2
82.98235	1.3
83.01388	9.4
85.02952	24.5
87.00889	2.7
89.02440	36.3
95.01364	6.2
96.96020	2.2
97.69510	1.2
99.00893	2.8
101.02437	49.9
111.08163	3.4
113.02452	25.8
119.03465	17.0
121.02961	7.0
142.25447	1.5
143.03506	2.8
149.04523	1.5
150.03192	2.9
159.02930	1.9
160.19756	1.3
161.04582	17.4
173.08228	6.6
176.36223	1.5
179.05669	2.9
179.07135	2.5
209.04594	5.5
227.16547	9.2
389.21936	64.2
390.22269	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	389.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53223	0.6
56.72354	0.5
59.01107	1.2
59.01395	29.2
84.66880	0.6
91.26580	0.6
95.79850	0.6
96.62804	0.5
182.64185	0.8
227.20169	0.9
307.22827	100.0
308.23245	0.7
389.17996	1.0
389.23102	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	389.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.70544	41.2
61.98839	97.8
66.69625	44.2
70.28324	39.9
89.02431	61.5
90.33384	41.7
209.41843	60.3
409.10236	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.70544	41.2
61.98839	97.8
66.69625	44.2
70.28324	39.9
89.02431	61.5
90.33384	41.7
209.41843	60.3
409.10236	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34409	0.3
54.75855	0.3
57.05027	0.3
57.79408	0.3
59.01392	100.0
105.69320	0.3
314.26535	0.3
413.77982	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
82.74514	0.4
83.45620	0.4
84.46902	0.4
106.16157	0.4
108.46914	0.4
140.80479	0.5
228.47841	0.4
255.82158	0.5
259.76657	0.5
280.71814	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13433	0.3
56.06466	0.3
59.01384	3.5
61.98837	100.0
66.12159	0.2
71.01376	0.5
85.49401	0.3
103.34460	0.3
104.79726	0.3
105.31105	0.2
107.09219	0.2
147.50160	0.3
179.06067	0.3
391.23511	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	391.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50240	0.8
54.82739	0.9
55.01886	0.9
55.97720	0.8
58.00598	2.1
59.01384	100.0
67.01893	1.0
71.01378	53.1
72.99290	1.3
73.02944	4.6
83.01363	4.8
85.02946	12.8
89.02437	56.5
92.12428	2.0
95.01385	2.1
97.02946	0.9
99.00878	1.1
99.04563	1.1
101.02435	25.0
102.05590	2.0
103.30051	0.9
107.05017	12.5
113.02435	18.7
118.19251	0.9
119.03490	16.7
123.04528	4.9
131.03558	1.4
135.04517	58.1
143.03490	3.8
144.06676	1.0
153.05630	1.6
161.04591	2.0
179.05623	4.8
197.04591	1.8
211.07254	1.3
235.19722	1.1
315.10953	1.8
347.13535	6.2
359.09860	60.8
391.12289	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	391.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	12.5
59.01369	2.5
60.26784	1.1
62.82841	1.1
69.82470	1.0
70.02966	1.3
71.01374	1.1
72.00880	2.1
74.02467	23.0
76.64988	1.1
82.02954	1.7
86.02464	8.9
87.05639	8.5
90.00190	1.9
93.03439	1.6
93.17957	1.1
96.96007	14.8
96.96914	1.5
97.04026	2.6
99.05630	26.7
101.07198	2.9
102.03023	1.1
102.05607	2.3
108.02172	18.1
109.04048	2.2
112.04039	1.6
113.03553	1.5
118.03334	12.0
121.02933	6.1
122.03727	7.3
123.04513	25.9
123.05469	2.3
126.75211	1.3
127.05118	5.2
128.03532	58.0
130.06602	2.0
135.05623	5.8
136.01639	1.8
137.07172	1.9
141.06726	8.3
143.04623	100.0
145.06212	2.3
146.04568	7.1
149.02441	41.5
150.03229	43.2
151.04027	1.3
153.06689	5.1
160.00751	15.1
164.04768	5.7
165.05565	30.9
166.09845	2.0
167.04619	5.5
167.08324	2.8
177.03383	1.6
177.40529	1.2
179.04648	14.7
181.06247	1.6
185.05629	1.3
195.03008	8.6
195.06624	10.5
197.05678	1.5
210.08838	15.7
229.15616	1.5
233.70386	1.5
254.07867	21.1
256.07529	9.9
259.03976	1.3
262.40930	1.3
271.09903	11.6
272.08911	45.7
288.06549	4.9
301.05115	1.7
306.07684	74.0
391.10046	1.9
391.13382	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	391.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82816	1.6
57.75557	1.4
59.01387	21.5
61.98826	8.3
71.01383	7.1
82.95416	36.6
89.02442	6.2
94.92389	1.9
101.02449	2.5
108.02145	2.0
109.02910	2.3
113.43725	1.5
121.02934	9.2
123.04527	2.4
128.26010	1.6
134.03729	6.8
135.04478	7.8
140.47385	2.0
149.02455	4.1
150.03249	8.2
154.81187	1.6
163.03972	14.5
164.04848	11.5
165.05574	7.7
167.10765	3.4
169.07713	7.6
176.04866	1.7
185.11821	8.0
186.04277	3.9
192.04297	3.1
193.05092	2.4
200.05840	7.3
201.06578	22.4
207.06612	15.7
209.06163	2.2
211.04092	2.5
211.09743	1.7
211.13397	3.1
212.04910	5.9
216.08936	53.6
216.85114	2.0
223.07835	2.2
224.04745	3.0
225.05557	5.5
227.07108	2.3
229.06056	8.8
229.10748	3.5
233.05565	6.5
237.05592	9.0
239.03435	2.8
239.07111	16.1
240.04305	69.1
241.06047	1.6
244.08420	35.5
249.05499	5.8
250.06004	1.7
251.07321	3.1
252.04364	2.1
253.05040	2.8
254.05769	3.5
255.06627	14.9
265.04980	8.9
266.05899	8.9
267.06625	42.4
269.08176	7.6
270.08807	3.2
277.05161	3.2
278.05948	2.3
279.06577	2.4
280.61115	1.5
281.08392	2.1
283.06128	29.8
285.07733	1.8
289.82779	1.6
295.06149	100.0
295.09515	3.5
297.07358	2.1
298.08496	60.4
299.09308	1.7
309.07742	2.6
310.08496	50.1
313.07358	3.9
313.10873	74.3
320.85413	1.9
325.07413	4.2
325.10840	80.1
328.09653	3.5
343.12021	23.9
347.17520	2.3
348.45242	2.2
358.89389	1.9
359.11090	2.6
361.13031	35.7
373.12985	28.2
391.13455	25.2
391.19379	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	391.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
71.01385	5.6
73.02935	0.3
73.33520	0.3
85.02977	1.2
89.02433	6.7
91.08470	0.2
101.02453	1.9
109.48342	0.3
113.02436	2.1
115.70601	0.3
116.07203	1.4
119.03487	2.7
120.22022	0.4
139.65154	0.3
143.03510	0.5
145.89333	0.3
161.04781	0.4
179.05667	2.0
217.08351	0.3
245.09581	0.3
271.16580	1.0
331.17923	0.4
391.20197	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82773	0.6
55.01878	0.8
55.87014	0.5
57.03439	0.7
59.01388	100.0
61.98851	2.2
69.22232	0.7
71.01358	5.7
73.02946	1.4
78.95927	0.6
85.02965	1.4
89.02464	1.4
99.87408	0.6
101.02441	4.1
113.02462	3.1
121.02935	0.8
161.04582	2.6
232.59804	0.8
293.46930	0.7
303.38605	0.8
316.67621	0.7
331.17694	1.6
335.60281	0.6
352.91602	0.7
391.19785	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	391.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62498	1.5
54.82624	1.8
55.17773	1.7
59.01384	32.1
61.98838	13.5
71.01375	2.0
84.39516	1.9
109.65016	2.2
111.08114	3.2
113.10153	1.8
117.00369	1.9
139.07640	9.0
149.00967	2.2
167.10774	3.5
181.12387	2.9
197.11900	2.1
199.13422	2.0
209.11572	11.7
219.10110	8.3
227.12610	2.3
247.20407	2.4
248.10275	7.5
249.11057	2.8
253.10637	7.5
291.19720	17.5
303.19287	2.7
309.20770	45.9
329.98907	2.0
331.18939	100.0
332.19275	2.9
363.16721	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2127
Annotation	Rubescensin Q
Peak:m/z	Relative Intensity
57.58430	1.4
58.76704	1.4
59.01391	100.0
60.32234	1.5
61.98835	6.9
64.28690	1.5
68.80141	1.6
71.01387	1.7
73.02954	12.0
78.95903	3.4
96.96001	29.2
96.96973	6.6
137.09807	3.3
161.00429	1.8
193.08478	6.8
220.14723	10.2
221.15462	21.2
236.10564	11.6
257.19205	3.5
287.20288	4.2
293.17603	6.6
309.20764	7.8
313.18207	3.6
331.19095	23.6
348.97668	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	391.2131
Annotation	Sinuolatin C
Peak:m/z	Relative Intensity
50.98795	0.2
51.46498	0.2
58.08244	0.2
59.01384	100.0
60.01724	0.3
61.98830	1.6
67.35117	0.2
69.72327	0.3
125.09928	0.3
142.27838	0.2
191.80573	0.3
214.10002	0.3
231.37480	0.3
254.13095	0.3
269.15524	4.3
285.18622	4.1
313.18149	7.7
328.00595	0.3
331.19186	11.6
332.19482	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2342
Annotation	Lys Pro Phe
Peak:m/z	Relative Intensity
55.01875	2.3
57.03459	1.1
58.00605	0.4
59.01391	24.7
60.95167	0.4
61.98839	7.0
62.26433	0.5
62.59758	0.5
67.63660	0.5
71.01037	0.8
71.01389	13.7
71.05030	0.8
72.99300	2.0
73.02950	3.6
78.95930	0.8
83.01422	4.1
85.02953	6.0
87.00874	1.2
89.02439	3.3
92.12383	1.1
95.01347	1.0
99.00889	0.9
101.02445	7.6
101.82371	0.5
103.70307	0.5
111.00890	2.3
113.02470	3.9
126.28705	0.5
141.12903	0.7
149.02438	1.1
161.46661	0.5
164.04839	2.4
179.07121	0.7
183.17522	2.0
206.84656	0.5
211.17038	2.3
229.18115	29.9
271.19196	0.6
373.22302	2.8
387.32016	0.5
391.23438	100.0
392.23700	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2342
Annotation	Phe Pro Lys
Peak:m/z	Relative Intensity
55.01862	1.0
57.03435	0.8
57.98593	0.5
58.00587	0.8
59.01385	62.4
61.98817	2.8
70.89803	0.5
71.00990	1.0
71.01382	29.9
72.60573	0.6
72.99292	2.5
73.02939	2.8
81.40968	0.6
83.01385	2.8
85.02950	6.8
88.17406	0.5
89.02441	19.8
92.12411	1.2
95.01347	1.5
99.08164	1.0
101.02438	14.8
113.02456	7.7
113.09694	0.9
117.11922	0.7
119.03463	6.9
156.62263	0.6
183.17534	2.6
190.98965	0.7
211.17070	21.4
229.18111	6.5
275.78769	0.6
301.28378	0.6
391.23410	100.0
392.23871	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	391.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82412	2.8
59.01110	4.3
59.01395	100.0
60.17241	3.3
61.98827	2.7
63.76278	2.5
84.00909	13.3
89.02451	5.3
115.05502	2.6
116.92870	4.7
138.90770	2.9
227.00298	3.2
323.51669	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	392.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.7
55.22288	1.0
57.03450	1.7
57.87173	1.1
58.00584	1.7
58.71465	1.0
59.01385	91.0
67.28032	1.4
69.03446	8.0
69.17076	1.3
71.01379	100.0
72.72012	1.2
72.99284	3.2
73.02939	27.0
75.00865	1.2
81.03437	2.5
83.01362	6.6
85.02934	18.0
87.00852	2.1
89.02438	90.3
89.89241	1.4
95.01377	2.8
96.95985	5.9
97.02950	9.4
99.00871	30.1
99.04450	2.3
101.02425	26.3
109.02965	1.4
112.35628	1.7
113.02435	17.2
115.03983	7.6
119.03497	2.2
125.02437	29.7
131.03528	10.6
143.03477	2.5
149.04550	31.1
151.04050	1.3
159.03059	1.5
161.04552	16.6
191.05591	10.2
233.06644	20.7
293.08792	37.6
364.50443	1.4
392.15601	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47315	1.5
59.01109	3.6
59.01386	75.1
61.98826	13.1
69.03468	7.1
71.01385	88.9
72.99294	3.6
73.02941	20.9
75.00864	3.5
75.36234	1.9
78.95939	1.8
81.03471	3.0
83.01362	3.9
85.02947	18.3
89.02445	100.0
95.01363	2.2
96.96014	37.3
97.02940	10.7
98.95588	2.8
99.00872	25.3
99.04536	3.0
101.02439	35.6
113.02459	19.4
115.04017	8.5
121.02982	2.6
125.02446	28.0
126.09332	2.0
131.03491	8.2
136.01662	16.3
143.03482	3.3
149.02452	8.5
149.04565	31.3
149.05750	2.9
149.05991	2.3
150.03229	26.5
151.04012	14.6
153.05545	11.6
153.06694	2.4
161.04556	23.0
164.04781	3.2
165.05574	30.6
188.05663	2.8
191.05602	12.1
195.06586	10.1
229.15471	2.4
233.06677	24.8
286.08508	2.5
293.08884	41.4
336.78458	1.9
392.15533	36.6
393.11948	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	392.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59321	0.8
54.82683	1.1
59.01397	8.5
59.87750	0.7
61.98843	4.2
70.02975	1.7
71.01389	1.7
72.00910	4.8
81.02193	5.1
82.02986	3.8
82.06637	4.0
87.05634	4.7
89.02465	1.1
91.05537	3.6
96.00909	14.4
98.02483	24.9
101.02409	1.0
104.55489	1.0
109.01702	2.1
113.03571	22.1
114.38080	1.0
116.05090	1.6
118.06667	6.7
123.03246	1.0
124.02831	2.1
125.79891	1.0
127.08746	1.3
129.07057	0.9
129.10342	11.6
130.08714	2.2
138.09232	4.4
139.08786	1.9
140.07172	2.2
143.05037	1.5
147.04535	28.6
152.07326	1.2
155.08290	5.4
157.06595	1.9
164.07184	51.9
165.10330	12.6
166.08737	30.5
167.08232	4.4
168.10266	1.3
181.09805	1.7
183.11407	4.4
183.32890	1.0
185.06104	1.3
199.06413	10.7
200.07101	2.1
209.09340	4.2
210.07738	1.2
252.13908	0.9
256.08447	2.0
259.14432	3.9
269.16656	2.1
270.14899	4.0
277.15662	7.8
277.18262	1.0
295.14529	4.9
313.15695	12.9
357.14612	100.0
358.14951	1.1
374.17258	47.8
375.15591	1.6
385.68900	1.0
391.20090	3.0
392.18494	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	392.183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	11.0
61.98835	8.2
70.02977	2.1
71.01391	1.7
71.02495	1.5
72.00908	6.0
72.99275	1.3
81.02193	7.2
82.02978	2.3
87.05666	5.8
91.05518	3.6
92.12348	3.2
96.00903	14.7
98.02461	16.6
106.06609	24.9
108.03349	1.6
109.01700	8.3
111.56815	1.4
113.03567	18.1
118.06627	9.7
122.09740	1.7
124.02776	7.7
129.10345	19.2
130.08662	2.2
131.04584	2.5
132.54654	1.5
136.85995	1.4
138.09221	2.0
139.08742	3.0
140.07187	7.0
147.04527	31.6
150.05585	13.9
155.08275	9.1
164.07178	81.9
165.10335	17.4
166.08717	43.8
167.08211	3.0
183.11388	7.9
191.02534	1.4
194.04633	3.1
199.06467	3.2
200.07144	2.6
200.14001	1.8
202.07376	1.4
209.09332	8.1
210.07800	2.9
233.16853	1.9
238.07602	1.8
256.08652	11.1
259.14432	3.5
270.15073	2.4
277.15778	10.7
295.14597	5.8
313.15591	12.9
343.47675	1.5
356.09897	7.4
357.14615	100.0
374.17230	52.8
375.15891	2.4
384.94501	1.5
392.18295	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55195	0.3
56.35121	0.3
59.01106	0.6
59.01387	12.9
60.56983	0.3
61.98819	0.5
69.33004	0.3
84.95139	0.4
87.00870	100.0
88.00383	4.2
88.01212	0.6
88.04027	2.8
105.82961	0.3
112.40517	0.4
121.12249	0.3
168.13925	0.7
217.00319	0.4
220.73753	0.3
257.15543	1.5
269.55579	0.4
311.22574	0.7
370.64572	0.4
393.22879	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04773	0.5
59.01389	100.0
61.98830	3.8
70.08013	0.6
82.95416	2.5
83.05023	0.7
85.06570	0.6
85.93136	0.5
102.17723	0.7
105.75901	0.6
113.06097	1.2
123.31873	0.6
217.00354	0.7
230.77866	0.6
292.19907	1.1
310.21173	0.9
332.15485	0.8
332.19315	1.0
333.20734	12.8
415.77350	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32415	0.8
59.01375	4.8
60.31812	0.8
61.98841	8.5
64.93008	0.8
72.54182	0.8
81.80672	0.9
93.03445	3.8
96.95993	1.7
98.95578	1.4
99.92573	1.1
106.77556	1.1
107.05050	1.2
108.02168	4.1
109.02930	1.1
120.02170	0.9
121.02950	11.3
122.03731	12.0
123.04489	3.9
130.08774	3.5
134.03748	5.0
135.04497	2.1
136.01666	57.2
137.02431	4.7
138.03247	2.0
146.03697	1.8
149.02455	42.2
149.06097	2.2
150.03232	97.8
151.04019	39.4
153.05576	28.6
157.76433	1.0
161.06036	2.0
163.04063	1.3
164.04788	10.5
165.05574	100.0
180.04259	8.0
181.05087	1.4
195.06647	51.8
224.52904	1.0
224.65025	1.2
229.11945	2.3
241.11974	0.9
245.49005	1.0
286.08478	8.1
301.10867	19.5
332.72824	1.1
349.16022	1.4
393.11966	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2266
Annotation	Melissoidesin P
Peak:m/z	Relative Intensity
50.10701	1.7
56.56109	1.9
58.00593	26.1
59.01104	4.0
59.01385	74.6
60.01711	2.6
61.98819	3.6
64.25952	1.8
82.95413	3.2
95.05005	9.8
103.52769	2.3
109.06603	4.5
110.33783	2.2
113.06053	2.5
121.62766	2.1
127.07636	26.3
181.12340	4.0
182.07356	2.1
183.13919	33.7
189.05438	3.0
195.13969	2.7
213.14940	7.2
217.00215	4.9
219.10121	2.4
221.11671	3.5
223.13242	22.0
233.08029	2.7
233.11674	4.7
235.09470	2.8
235.13156	4.3
241.14514	11.8
245.11580	3.9
263.12680	65.2
264.13181	2.8
267.12164	16.6
278.11285	9.2
293.21594	6.8
311.22318	71.4
315.19449	24.2
326.60382	2.3
332.52209	2.0
333.20584	100.0
377.19797	3.5
393.21948	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10123	0.4
59.01394	100.0
61.98849	1.2
73.92052	0.4
85.95317	0.4
96.96014	0.5
100.48489	0.5
138.93735	0.5
144.76178	0.5
230.18436	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
59.61526	0.4
61.98842	2.0
65.33143	0.3
74.28350	0.4
78.95901	0.5
96.96047	0.4
117.05649	0.4
152.99681	0.5
170.67604	0.4
189.06009	0.4
235.13406	1.7
271.19238	0.7
275.14246	0.4
301.36807	0.4
305.17914	0.5
331.12051	0.6
333.20831	0.6
393.19611	1.8
414.52252	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21018	0.2
59.01389	100.0
60.01738	0.3
61.98848	0.5
87.03020	0.2
87.80864	0.2
89.62968	0.3
120.18380	0.2
149.63458	0.3
238.30182	0.3
283.85709	0.3
376.59512	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2289
Annotation	Melissoidesin P
Peak:m/z	Relative Intensity
52.20776	0.3
57.03465	0.3
57.36859	0.3
59.01387	100.0
60.01716	0.3
61.98833	3.7
76.57255	0.4
104.91847	0.3
105.95879	0.4
137.43031	0.4
162.15312	0.4
216.40607	0.4
226.50247	0.4
289.21860	0.4
315.19870	0.8
333.20752	5.9
339.34735	0.4
393.05820	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2286
Annotation	15-Epileopersin B
Peak:m/z	Relative Intensity
59.01387	100.0
61.98833	13.9
73.70661	0.3
118.27771	0.3
142.89867	0.3
160.30901	0.3
333.20984	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2288
Annotation	Melissoidesin P
Peak:m/z	Relative Intensity
55.23849	0.7
55.65728	0.8
57.03449	2.1
57.45459	0.8
59.01389	100.0
60.01700	0.8
61.98818	5.7
69.04375	0.7
73.19430	0.8
96.96015	1.3
107.05064	1.1
114.61555	1.0
124.11617	0.8
127.91867	0.8
164.67406	1.0
221.45795	0.9
257.15421	4.7
275.16583	18.0
282.51877	1.0
302.01721	1.0
311.22455	1.1
332.81049	1.0
333.20752	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44487	15.9
59.01380	100.0
78.23473	21.9
84.00896	81.1
92.65303	23.9
96.95991	22.2
192.67444	24.4
274.13559	22.8
284.37711	22.0
311.16898	35.0
334.79031	19.6
390.85684	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	393.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84048	13.5
55.67764	13.8
58.03750	14.9
59.01396	64.3
64.34739	20.8
67.66919	15.4
78.56956	15.1
92.66170	20.6
102.02258	17.2
132.48122	17.2
145.29419	19.6
150.05649	17.7
219.58551	17.6
295.26453	100.0
311.17004	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58804	0.4
53.14602	0.5
57.03447	6.7
59.01111	0.8
59.01386	19.2
61.98828	1.1
64.64680	0.5
71.01374	16.4
71.04991	0.9
71.22651	0.5
72.99290	1.4
73.02949	1.4
83.01391	1.1
84.04537	8.5
85.02941	10.2
86.06098	0.7
87.00850	1.1
89.02437	7.6
93.85609	0.6
99.00869	1.0
100.03997	1.0
100.57872	0.5
101.02448	5.7
102.05597	26.2
103.04002	9.4
108.08182	2.6
113.02452	3.4
116.92891	0.6
119.03490	3.7
126.09249	3.0
128.03520	7.2
128.07188	1.1
144.10321	3.5
146.04620	5.0
147.03020	2.4
147.06670	2.1
152.07181	4.6
156.06721	0.8
161.48253	0.6
166.84906	0.6
170.08237	3.8
188.09285	27.3
196.06119	0.7
220.59016	0.6
226.97293	0.7
265.09283	23.1
350.14584	8.1
394.13565	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	394.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82181	1.1
59.01378	2.2
61.98835	100.0
63.19643	1.2
78.95912	1.4
82.95401	10.2
84.00919	1.4
92.12336	1.1
94.71255	1.1
97.02966	1.4
116.35664	1.1
141.76724	1.2
161.05133	1.1
266.20840	1.3
291.19885	1.3
309.20728	2.2
331.19049	1.7
366.39719	1.1
394.18655	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	394.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.7
61.98825	1.2
62.96412	0.2
71.04546	0.2
71.83754	0.2
78.95899	100.0
88.39840	0.2
89.02457	0.2
96.96954	4.5
138.44864	0.2
163.92667	0.2
230.03545	0.2
311.22141	0.3
312.22690	0.8
334.01773	0.2
334.21198	0.3
389.84824	0.2
394.23654	24.9
395.23795	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29381	12.1
51.45763	13.8
59.01389	28.9
61.98823	100.0
70.43598	14.6
71.48199	13.4
94.81201	15.5
97.12434	15.1
100.05025	14.5
135.72209	15.2
142.46077	15.9
144.75298	16.3
153.80266	14.3
205.82330	15.7
237.74078	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	394.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	95.7
64.34901	40.4
68.57897	44.9
70.88688	52.5
76.57981	49.4
92.11816	100.0
94.42018	49.9
127.46458	54.6
162.08929	55.4
191.06778	49.4
199.04141	56.6
201.69221	52.3
299.20084	66.6
393.65924	60.5
403.62732	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68751	0.9
54.83072	1.1
59.01387	10.8
64.14161	1.0
71.01370	2.8
73.63451	1.1
77.04526	1.1
88.98793	2.0
95.01396	2.0
96.95979	1.5
109.92362	1.1
123.00892	25.9
138.02162	2.1
138.03233	60.6
142.62822	1.1
143.43469	1.3
153.05566	22.9
153.09229	1.0
166.99814	14.8
182.00627	2.5
182.02223	53.2
197.04572	100.0
215.09232	2.3
233.10307	2.3
263.74701	1.3
263.77881	1.3
337.47006	1.1
359.09897	19.6
382.47897	1.4
395.15482	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	395.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20292	4.7
57.03451	6.9
59.01387	68.7
61.06410	5.6
61.53442	5.5
61.98838	82.7
71.01379	39.7
73.02942	22.4
85.02965	31.5
89.02443	34.0
95.01412	7.2
96.00919	9.7
97.02910	10.1
101.02447	24.6
113.02462	66.0
130.08727	13.5
133.10234	49.8
143.03503	6.7
153.09258	88.5
153.91075	7.0
161.04587	24.7
167.10803	10.8
173.08226	11.0
195.10275	12.2
197.08208	93.5
299.11423	10.3
359.13535	57.7
384.88120	6.4
395.17218	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	395.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02715	0.9
51.68171	0.9
54.83102	1.1
57.03449	2.8
58.00613	1.1
59.01384	28.1
61.98835	29.3
64.98553	1.2
69.03429	1.3
71.01383	10.5
71.01700	1.1
71.05000	1.7
73.02955	1.8
75.00855	1.3
75.22472	1.0
85.02953	14.9
89.02422	4.4
92.11716	2.4
94.92323	1.4
94.95757	1.1
96.95948	1.1
97.02921	7.2
101.02436	6.1
107.08645	1.6
109.06585	11.5
111.04507	2.0
113.02460	6.9
113.06148	1.1
126.15775	1.1
133.10217	31.9
135.08153	6.4
149.09738	2.7
151.11230	4.5
153.09209	100.0
167.10757	16.2
177.09160	2.1
193.29605	1.1
195.10243	17.2
197.08208	74.0
235.61050	1.4
239.09216	9.5
269.10330	11.3
299.11389	46.6
316.34641	1.3
359.13492	49.0
391.16489	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10709	0.9
54.00893	0.8
57.03447	2.1
59.01112	1.3
59.01389	27.4
61.98534	1.4
61.98833	24.7
63.94461	0.9
71.01379	11.3
72.99314	1.0
73.02928	4.0
85.02952	12.1
87.16606	1.0
87.29479	1.0
89.02435	5.6
95.37691	1.2
97.02940	9.1
101.02445	8.9
107.29588	1.0
109.06603	8.7
113.02457	5.6
113.06091	1.3
119.03481	1.2
133.10222	32.7
135.08153	6.5
137.09695	1.2
149.09714	4.3
151.11313	8.7
153.09218	100.0
165.09151	1.2
167.10762	18.6
177.09198	3.9
185.08188	1.8
195.10268	19.8
197.08200	68.7
202.13394	1.1
212.46754	1.1
225.11234	1.3
239.09320	7.2
269.10342	14.1
278.70441	1.0
299.11383	40.6
343.34283	1.0
359.13538	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
59.30703	8.7
61.98825	19.9
71.01373	41.0
71.92287	10.6
79.36895	10.2
82.03026	9.3
87.00890	15.5
89.02464	17.6
101.02430	17.3
101.04301	53.2
108.25945	11.7
119.05027	24.0
127.69970	10.2
130.08733	44.8
152.07123	16.1
163.04074	21.7
164.04767	23.4
179.07159	46.9
180.06676	13.6
192.21953	11.6
241.11723	12.1
335.13300	13.5
360.12964	17.9
394.16974	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	395.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.3
63.92809	0.3
71.01375	4.8
73.02923	0.7
78.95875	0.5
82.83904	0.4
85.02959	1.8
86.78177	0.4
87.04514	0.6
88.04040	0.8
89.02424	1.3
96.96017	0.8
96.96933	0.8
101.02421	3.0
102.05563	1.4
103.04012	0.4
113.02451	1.5
115.00374	6.4
128.03563	0.5
130.08730	100.0
131.09070	0.8
133.01428	11.0
161.04547	1.9
186.04413	0.3
264.10928	7.3
264.13519	0.6
265.09344	1.4
265.59943	0.4
303.40540	0.4
356.72858	0.4
392.03326	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.244
Annotation	ent-13R,15-Dihydroxy-14S-acetoxy-1(10)-halimen-18-oic acid
Peak:m/z	Relative Intensity
50.22445	0.1
54.06387	0.1
59.01387	100.0
60.01728	0.2
61.98846	0.1
66.94444	0.1
120.15430	0.1
160.10207	0.1
181.77866	0.1
201.48097	0.1
297.89618	0.1
329.08383	0.1
356.89362	0.1
395.24683	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2442
Annotation	ent-13R,15-Dihydroxy-14S-acetoxy-1(10)-halimen-18-oic acid
Peak:m/z	Relative Intensity
59.01387	100.0
61.98827	1.6
68.27184	0.3
86.74542	0.4
108.68914	0.3
113.27130	0.3
118.08397	0.3
166.75484	0.4
194.36292	0.4
246.42477	0.4
335.22269	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	395.2443
Annotation	ent-13R,15-Dihydroxy-14S-acetoxy-1(10)-halimen-18-oic acid
Peak:m/z	Relative Intensity
54.82341	0.2
59.01389	100.0
60.01727	0.5
61.98835	0.9
66.24739	0.2
75.79186	0.3
85.02969	0.3
89.50401	0.2
90.18072	0.2
92.86622	0.2
96.83384	0.2
97.06569	0.3
146.63408	0.2
193.27101	0.3
200.74467	0.3
275.20313	1.4
299.20328	0.4
317.59366	0.2
335.22314	5.7
378.88132	0.3
395.24756	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2439
Annotation	Australin A
Peak:m/z	Relative Intensity
50.50966	1.2
59.01393	100.0
60.20236	0.9
61.98824	8.0
62.01993	1.1
78.95913	21.1
87.04530	12.2
95.01387	1.3
102.11723	1.1
108.51601	1.2
130.79968	1.1
135.06613	14.3
136.99214	1.1
147.06599	1.7
152.54602	1.1
177.07721	2.6
181.35167	1.2
188.97173	1.6
217.00328	1.5
233.18819	1.5
248.25977	1.3
277.17987	12.0
335.22153	1.3
384.76773	1.3
395.24365	59.1
396.24887	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	395.2593
Annotation	Neurymenolide B
Peak:m/z	Relative Intensity
52.12854	0.9
52.66768	0.8
55.98117	1.0
57.03467	27.1
59.01389	2.1
61.98835	2.5
66.59955	1.1
70.94019	1.1
92.11686	5.0
138.76781	1.1
163.11284	100.0
219.13928	33.3
227.95839	1.1
297.24405	1.7
337.21738	2.4
359.48038	1.0
389.25128	1.2
395.25937	75.0
396.26025	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	396.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	66.8
60.01732	5.3
61.01793	3.9
61.98834	100.0
95.49590	4.0
133.78064	5.0
133.79092	4.9
135.72098	4.8
147.08838	4.0
174.99152	6.6
217.00218	6.7
260.04410	4.2
357.96609	5.1
396.19363	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	396.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59948	63.7
61.98829	100.0
72.08824	67.7
125.62035	71.0
131.01404	70.2
257.49042	92.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34434	58.9
59.01380	100.0
61.46073	37.4
61.98830	61.5
69.28719	38.4
73.49223	43.2
74.75816	44.8
80.66449	40.7
81.47440	41.1
81.72849	48.4
82.86217	41.5
92.11709	71.7
217.00351	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.0
60.67770	0.4
61.98828	2.9
66.66692	0.5
71.01380	0.9
72.64782	0.4
73.02944	1.1
85.02951	0.6
135.08286	0.6
137.09688	5.7
153.09219	2.1
155.10785	100.0
176.01158	1.0
180.48874	0.6
181.08780	0.7
191.03555	0.7
199.09781	38.7
264.42896	0.5
265.04694	0.6
352.21320	0.6
361.15088	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34108	0.3
53.94935	0.2
59.01388	2.2
61.30046	0.3
61.98822	1.6
71.01366	0.5
73.02962	2.2
74.02467	0.3
82.27798	0.2
84.35424	0.3
85.02953	0.4
89.02429	0.3
101.02416	0.3
101.43835	0.3
113.02448	0.5
113.90262	0.3
135.08154	1.6
137.09714	7.4
149.34589	0.3
153.09209	3.5
155.10777	100.0
161.04553	0.6
179.05649	0.4
197.08191	1.7
199.09767	44.1
285.87634	0.3
289.98413	0.3
361.15079	49.5
362.15314	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.9
58.00595	0.6
59.01384	6.8
61.98823	1.8
62.59651	0.3
71.01363	2.7
73.02938	4.8
76.56161	0.3
81.03449	0.3
83.04972	0.4
85.02962	2.8
85.86034	0.3
87.04511	5.2
95.01411	0.6
97.02931	2.0
98.76266	0.3
101.02452	3.2
109.06631	0.5
113.02432	2.8
133.10229	1.4
135.08144	2.0
137.09718	16.9
138.00911	0.3
139.11310	0.7
140.34767	0.3
151.11273	0.8
153.09198	6.1
155.10782	100.0
161.04526	0.6
167.10789	1.6
169.12283	2.6
181.08722	3.3
188.67787	0.4
195.10278	0.7
197.08220	3.4
199.09773	70.2
208.45299	0.4
211.95946	0.4
213.11368	3.7
239.09404	0.6
241.10834	14.5
269.10349	0.9
271.11887	3.2
274.40405	0.4
299.11343	3.1
301.12946	11.8
350.86868	0.4
359.13525	3.0
361.15067	16.0
361.22162	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34108	0.3
53.94935	0.2
59.01388	2.2
61.30046	0.3
61.98822	1.6
71.01366	0.5
73.02962	2.2
74.02467	0.3
82.27798	0.2
84.35424	0.3
85.02953	0.4
89.02429	0.3
101.02416	0.3
101.43835	0.3
113.02448	0.5
113.90262	0.3
135.08154	1.6
137.09714	7.4
149.34589	0.3
153.09209	3.5
155.10777	100.0
161.04553	0.6
179.05649	0.4
197.08191	1.7
199.09767	44.1
285.87634	0.3
289.98413	0.3
361.15079	49.5
362.15314	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.9
58.00595	0.6
59.01384	6.8
61.98823	1.8
62.59651	0.3
71.01363	2.7
73.02938	4.8
76.56161	0.3
81.03449	0.3
83.04972	0.4
85.02962	2.8
85.86034	0.3
87.04511	5.2
95.01411	0.6
97.02931	2.0
98.76266	0.3
101.02452	3.2
109.06631	0.5
113.02432	2.8
133.10229	1.4
135.08144	2.0
137.09718	16.9
138.00911	0.3
139.11310	0.7
140.34767	0.3
151.11273	0.8
153.09198	6.1
155.10782	100.0
161.04526	0.6
167.10789	1.6
169.12283	2.6
181.08722	3.3
188.67787	0.4
195.10278	0.7
197.08220	3.4
199.09773	70.2
208.45299	0.4
211.95946	0.4
213.11368	3.7
239.09404	0.6
241.10834	14.5
269.10349	0.9
271.11887	3.2
274.40405	0.4
299.11343	3.1
301.12946	11.8
350.86868	0.4
359.13525	3.0
361.15067	16.0
361.22162	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1871
Annotation	Cinncassiol E
Peak:m/z	Relative Intensity
53.45818	0.5
55.01902	7.6
57.03462	2.7
58.00609	0.9
59.01396	83.2
60.01717	3.9
61.01816	1.4
61.98826	0.9
71.01389	27.8
72.99302	2.4
73.02955	9.6
75.00877	0.7
77.01349	0.6
83.01394	6.8
85.02464	0.8
85.02956	15.7
87.00869	3.8
89.02031	0.6
89.02452	9.6
90.37202	0.6
90.98621	0.7
95.01367	3.7
96.95995	0.9
99.00880	3.4
101.02440	21.6
113.02457	10.6
115.34480	0.6
119.03447	2.3
161.04590	2.3
174.99321	1.0
191.00005	0.7
217.00293	2.8
235.13432	0.7
258.23489	0.6
397.18707	100.0
398.18213	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13814	9.3
54.03606	10.8
59.01376	60.0
61.98837	19.7
63.51620	10.0
67.07889	11.3
67.98235	12.7
89.95924	12.4
92.11781	21.8
95.23801	11.1
115.52958	15.2
130.13536	11.0
131.49771	10.7
133.63126	11.9
143.11917	21.4
152.44565	12.1
153.41116	13.1
183.01199	20.4
217.00400	17.7
339.20074	100.0
345.82950	13.3
394.26004	15.6
411.52924	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	397.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36741	17.9
53.42719	17.1
55.33083	16.8
56.80753	18.7
59.01392	86.5
61.46944	20.3
67.52227	17.7
69.42180	19.5
72.72189	19.9
73.97374	21.0
80.14218	17.2
83.67078	19.0
95.07060	22.6
96.40599	19.4
98.91457	21.5
118.91840	19.4
123.90482	22.2
183.01152	31.3
217.00317	46.0
278.52222	21.3
299.20245	91.2
302.64124	24.3
339.19971	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	397.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19086	0.7
54.83030	0.8
55.39215	0.7
59.01381	4.2
61.98830	5.6
73.04061	7.2
75.00861	0.9
90.22851	0.9
96.99380	0.8
130.08728	57.9
143.11906	100.0
180.98788	0.8
183.01268	0.9
184.44899	0.8
187.10893	3.6
226.21770	1.9
266.21265	5.1
337.18900	0.9
339.19980	2.9
353.31732	5.9
397.30737	71.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30252	0.2
58.73483	0.2
59.01381	0.5
68.79205	0.2
71.01381	22.3
71.35177	0.2
72.99308	5.7
75.00856	0.2
87.00884	1.1
88.04052	2.9
88.91451	0.2
89.02424	3.4
100.19811	0.3
102.91153	0.2
115.00363	56.0
124.25908	0.2
129.95148	0.3
130.08734	6.4
131.09026	0.3
132.03012	1.3
133.01424	100.0
133.05089	1.4
134.01762	0.4
146.08231	1.2
195.07704	0.3
218.10332	1.6
237.91827	0.3
242.94817	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
59.01388	27.5
60.01719	4.4
61.01812	4.2
61.98835	100.0
65.86488	0.3
71.01385	3.5
72.01710	0.4
73.02958	1.3
83.01416	0.3
85.02938	2.4
86.03282	0.5
89.02463	1.4
99.00877	0.3
101.02447	3.1
113.02442	0.5
119.03499	0.3
122.00957	0.3
144.76265	0.4
150.07368	0.3
195.11102	0.3
349.06607	0.4
397.18784	2.8
398.19046	12.7
399.19226	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99166	0.4
54.82901	0.6
59.01391	5.4
59.98258	0.4
61.01828	0.5
61.98838	100.0
71.09373	0.4
75.68900	0.4
91.23231	0.6
111.94570	0.5
115.75790	0.4
118.48047	0.6
120.92072	0.4
143.20163	0.5
177.45894	0.5
261.68942	0.5
348.90063	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82084	61.4
54.82322	73.1
62.60027	58.6
80.64082	75.5
84.84790	71.6
86.47659	77.3
102.71494	70.8
105.81820	64.4
109.78085	70.4
111.79929	74.4
155.80075	67.9
265.40424	100.0
289.27695	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82430	60.4
56.55130	59.9
59.01388	83.1
61.57689	63.4
64.42910	68.6
100.15749	73.6
110.83868	78.1
159.77791	100.0
279.23322	95.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90169	1.0
55.01887	2.6
57.03448	1.9
59.01388	2.7
61.24736	1.0
61.98832	1.8
62.78349	0.9
63.08018	1.0
69.03456	4.7
71.01383	6.8
72.99313	42.3
75.00864	8.4
81.03460	38.1
85.02953	15.1
87.00885	4.3
92.12338	1.2
97.02958	1.5
99.00877	29.9
99.04523	1.2
101.02444	2.1
113.02456	12.7
115.00380	1.4
117.01926	5.2
118.16041	1.1
119.89405	1.0
125.02437	100.0
129.01926	34.0
130.08757	1.0
131.03508	4.8
133.59012	1.1
134.03732	20.5
134.23633	1.0
143.03502	12.0
147.03012	15.7
161.04552	4.4
169.01418	2.3
175.02484	1.7
193.05017	2.2
205.03549	99.9
207.08736	1.5
223.02441	2.9
223.04605	78.4
241.84619	1.0
281.03360	1.2
399.09561	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.8
57.03455	0.8
57.99052	0.5
59.01105	1.2
59.01388	20.6
59.01688	0.9
71.01382	28.7
73.02944	19.9
76.04967	0.5
83.01378	5.2
85.02952	16.9
87.00887	1.0
89.02446	7.6
95.01382	1.2
99.00887	4.8
101.01759	1.3
101.02438	37.0
113.02448	16.4
115.04021	1.0
115.54496	0.5
125.02428	2.2
129.01930	1.0
131.03508	1.2
143.03545	1.4
149.05023	0.6
155.19231	0.6
159.03000	2.5
161.04556	16.6
180.69241	0.6
221.10327	53.0
353.14563	100.0
354.14694	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	100.0
60.01730	0.6
61.98841	0.7
62.90202	0.3
91.01434	0.4
101.02456	0.4
116.92902	0.6
170.72301	0.3
286.14301	0.3
333.73914	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74399	20.6
59.01378	100.0
61.98830	35.6
66.60552	21.0
109.24827	26.4
116.92871	43.9
128.24274	28.5
145.93456	24.0
167.29120	28.8
339.12866	31.1
363.81012	26.3
379.05496	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	35.4
66.14159	13.1
73.70036	15.2
92.12346	15.2
116.92862	16.4
148.72603	15.1
163.11343	26.8
191.64154	21.2
339.23273	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	399.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09781	0.8
59.01386	100.0
61.95790	0.7
61.98802	1.5
62.36044	0.7
70.38777	0.8
71.01366	1.1
74.03647	0.8
84.54751	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3483
Annotation	AKD 2D
Peak:m/z	Relative Intensity
54.17898	1.9
71.01340	2.4
72.99309	37.9
75.00883	20.0
98.76965	2.6
114.74405	2.5
115.22111	2.5
117.71278	2.4
120.77541	2.4
156.68262	2.4
323.33200	4.4
350.28873	2.6
399.34796	100.0
415.90558	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	400.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91019	0.5
61.98830	1.2
69.25822	0.7
92.11777	1.1
97.93117	2.5
99.92589	95.6
100.92620	1.0
115.92081	21.9
116.92104	1.3
116.92862	17.3
118.89976	91.1
121.02955	0.9
134.89471	11.0
135.90259	31.9
141.93608	3.0
144.76794	0.5
150.37598	0.6
150.88968	3.2
281.24881	2.7
282.25229	0.9
309.88638	0.7
341.11273	0.7
364.17139	21.2
400.14810	100.0
401.14923	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	1.9
59.01384	42.5
61.98820	7.8
71.01379	14.8
85.02946	1.3
87.00886	1.8
89.02450	25.0
101.02440	10.1
113.02457	5.8
119.03487	5.9
121.02927	9.8
159.05458	1.3
179.05624	5.8
191.59892	1.1
194.98100	1.5
250.22577	1.3
269.15494	6.2
285.18552	2.7
288.19263	1.5
312.51700	1.3
313.18137	100.0
314.18442	4.5
341.10959	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49256	9.2
59.01388	72.1
71.01383	48.0
74.96059	10.1
89.02440	61.4
101.02441	25.0
107.14140	9.9
113.02441	15.4
115.81035	10.9
119.03473	13.0
121.02951	21.1
168.80058	10.3
179.05638	11.5
216.59622	10.7
225.17039	12.1
251.01530	10.3
341.10825	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	401.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.5
58.00594	0.5
59.01385	37.7
61.98803	0.5
71.01379	22.0
72.00908	6.2
72.99299	0.7
73.02955	3.8
74.02470	8.5
79.67600	0.4
85.02953	3.5
87.00863	1.2
89.01881	1.0
89.02438	30.4
95.01392	0.7
96.96005	0.7
101.02441	20.9
104.27915	0.5
113.02451	9.9
116.05060	27.4
119.03468	9.0
123.29491	0.5
131.03577	0.6
142.06627	9.0
143.03552	0.8
157.07626	0.6
159.09283	9.1
161.04523	2.2
172.06410	0.6
179.05637	8.0
183.09215	0.7
186.05672	0.9
203.08282	100.0
204.08563	0.9
225.88339	0.5
245.09248	1.1
275.10422	17.2
287.10165	0.8
317.11429	1.0
341.10913	36.1
357.81207	0.5
360.15842	0.6
365.13611	5.9
386.90460	0.5
401.20889	0.6
422.36646	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94251	0.7
57.03458	0.9
58.00597	3.2
59.01387	83.6
67.47085	0.7
71.01382	53.1
72.99307	1.7
73.02964	1.0
75.62807	0.6
83.01363	1.0
84.43968	0.7
85.02943	10.2
87.00880	2.8
89.02441	76.1
93.04573	1.2
94.58930	0.6
95.01354	0.8
101.02438	26.0
113.01709	1.1
113.02448	22.1
119.03498	22.2
131.03499	1.6
132.84622	0.7
143.03517	3.5
149.04591	1.2
154.06221	6.4
161.04596	3.4
179.05627	21.6
341.10919	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	401.13
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.0
57.03460	0.8
58.00589	2.1
58.25958	0.8
59.01385	92.6
63.64785	0.8
65.14582	0.8
71.00987	2.1
71.01377	55.0
72.99306	1.7
73.02927	0.9
83.01367	1.2
84.30853	0.7
85.02940	8.8
86.40449	0.7
87.00858	0.9
89.02437	80.5
95.01359	4.1
96.38032	0.9
101.02434	31.4
113.02440	21.8
119.03491	25.3
131.03485	1.8
133.01428	1.0
143.03511	3.3
149.04532	1.8
151.17938	0.8
161.04556	4.4
179.05615	24.9
221.76193	0.8
235.14525	1.0
282.12439	1.0
341.10898	100.0
354.26971	0.8
359.55988	1.0
392.91962	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.2
57.47885	0.5
58.00601	2.8
58.74746	0.5
59.01386	95.8
67.55501	0.6
68.63012	0.5
71.01382	59.6
72.99306	1.3
73.02937	2.4
74.31274	0.6
74.34363	0.5
75.00883	0.6
83.01425	0.9
83.03345	0.5
85.02950	8.7
87.00884	3.6
89.02439	88.0
93.02586	0.7
95.01389	2.9
101.02436	28.2
102.40746	0.6
109.89499	0.5
113.01704	1.3
113.02450	24.3
115.36465	0.6
119.03499	25.2
131.03506	3.0
143.03534	3.1
150.76950	0.6
161.04564	6.3
172.29109	0.7
175.87328	0.6
179.05627	24.0
289.69730	0.6
341.10916	100.0
342.11209	2.3
387.39136	0.6
412.37900	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1455
Annotation	Benzyl alcohol beta-D-xylopyranosyl (1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01876	3.8
57.03448	4.3
58.00579	2.8
58.37975	0.5
59.01387	100.0
61.98804	0.9
69.03436	1.2
71.01382	75.4
72.99292	2.5
73.02947	17.8
75.00851	1.1
81.03443	0.6
83.01392	9.4
85.02950	27.5
87.00854	3.1
89.02440	67.1
95.01390	6.9
97.02937	1.0
99.00872	7.9
101.02441	44.7
111.00875	0.9
113.02447	28.7
113.09803	0.6
115.03968	1.3
119.02686	1.0
119.03487	23.2
121.11620	0.6
125.02411	2.6
130.46275	0.5
131.03516	3.2
143.03539	4.2
149.04553	1.2
149.09674	0.7
159.02979	3.3
161.04539	19.3
166.19354	0.6
179.05612	21.5
195.13927	4.2
233.06639	0.9
269.07382	1.1
269.10318	25.7
341.10919	39.2
363.16092	0.7
401.14429	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	96.9
61.98835	44.2
66.18230	1.2
71.01382	57.3
72.99308	1.9
73.02959	1.7
85.02930	10.8
87.00868	2.1
89.02434	74.9
95.01366	1.8
97.02943	2.5
99.00919	1.7
101.02438	28.5
109.02966	1.8
110.00107	5.3
113.02451	18.9
119.03482	23.9
121.02940	22.8
123.00872	3.5
125.02417	5.9
125.99593	6.3
131.03441	1.6
135.04521	10.6
137.02437	32.0
137.99580	9.4
139.03981	1.9
143.03520	2.0
149.02440	6.6
153.00693	3.0
153.01935	84.2
153.99086	7.7
155.03477	8.7
161.04466	3.2
163.04013	64.6
164.04680	1.6
165.05478	2.0
168.04282	80.9
177.01958	34.3
178.02779	23.9
178.06342	56.0
179.05585	23.0
183.69580	1.5
192.04300	47.0
193.05064	10.0
193.08713	27.9
194.98268	2.3
207.06642	46.7
223.80470	1.4
313.07254	3.3
341.10907	100.0
342.11096	2.5
357.05923	1.7
392.06061	1.5
401.16028	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	401.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	83.5
60.30212	4.4
61.98838	27.5
71.01387	71.3
85.02959	7.1
89.02442	79.9
90.02848	5.5
91.81400	5.2
92.11776	9.1
101.02437	30.3
113.02433	13.5
114.87733	5.0
119.03519	13.1
121.02959	25.4
131.36748	6.4
139.04012	30.4
173.02419	4.9
179.05629	22.6
183.14824	6.2
231.66182	5.7
279.23431	6.4
341.10907	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	401.291
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82222	4.6
59.01394	96.6
61.98829	8.4
70.55965	4.3
71.01383	64.4
73.02955	6.5
82.95451	4.8
85.03006	9.0
89.02441	88.9
101.02427	25.8
102.33978	5.5
104.89003	4.8
106.17804	5.0
113.02439	28.9
119.03484	32.0
121.02908	25.6
150.19908	5.5
179.05626	23.5
201.29138	5.3
319.76416	6.6
341.10846	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	401.291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34192	0.2
52.00657	0.2
54.18209	0.2
56.34426	0.2
59.01385	100.0
60.01724	0.3
61.98826	0.4
70.58625	0.2
71.01376	2.0
85.02917	0.2
89.02440	4.3
92.11819	0.3
101.02459	1.4
102.96877	0.2
112.82922	0.2
113.02462	1.0
119.03526	0.5
121.02986	0.4
123.28779	0.2
178.23962	0.2
179.05676	1.1
250.39351	0.3
341.10938	4.3
342.11371	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59504	0.3
54.59853	0.2
54.82768	0.2
57.79754	0.2
59.01388	100.0
63.37447	0.3
67.38998	0.3
67.70580	0.2
71.01403	2.2
71.61450	0.2
76.57796	0.3
85.02952	0.3
89.02448	2.4
89.03776	0.3
101.02435	2.4
113.02442	0.4
119.03490	0.6
121.03001	0.4
161.04567	0.4
164.60582	0.3
179.05602	0.5
206.83372	0.3
212.30821	0.3
221.36110	0.3
239.20166	3.4
249.86142	0.3
341.10959	3.9
394.66791	0.3
398.35056	0.3
428.30280	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63444	0.2
53.17593	0.2
53.64838	0.2
56.41136	0.2
59.01387	15.6
60.01724	1.5
61.98835	100.0
71.01382	9.6
71.01755	0.4
72.01736	1.1
72.99314	0.3
73.02948	0.4
76.29543	0.2
80.20207	0.2
83.01387	0.3
84.83961	0.2
85.02935	1.5
86.69774	0.2
87.00889	0.4
89.02440	13.4
90.02774	1.3
95.01389	0.4
99.60464	0.2
99.72532	0.2
101.02441	4.9
102.02789	0.8
113.02434	3.2
113.03043	0.2
114.02796	0.5
119.03495	4.8
120.03855	0.4
131.03554	0.2
143.03522	0.4
144.30827	0.2
161.04616	0.8
179.05637	2.9
179.07042	0.2
180.06029	1.1
208.09227	0.3
341.10748	7.7
342.11237	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
59.65541	0.2
60.01714	0.5
61.15923	0.2
61.98838	0.6
71.01385	1.8
72.15705	0.2
73.88075	0.2
89.02440	1.8
90.02816	0.3
93.86910	0.3
96.96027	0.3
101.02460	0.4
116.67066	0.3
119.03546	0.4
121.02984	0.4
300.02878	0.3
315.19745	1.3
341.11234	0.4
342.11316	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	402.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16249	0.1
54.45074	0.2
54.82351	0.2
56.35826	0.2
59.01389	22.0
60.01725	1.5
61.98837	100.0
68.79111	0.2
71.90791	0.2
90.69138	0.2
130.19345	0.2
163.11288	8.0
181.79408	0.2
205.16133	0.2
259.95114	0.2
339.23300	6.9
339.26956	0.3
342.11343	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71101	0.4
59.01386	100.0
60.01715	0.6
61.98829	1.2
71.01389	2.8
89.02467	3.1
90.02750	0.5
91.48338	0.5
92.11803	0.6
101.02437	1.0
106.07220	0.5
113.02476	0.6
118.54739	0.5
119.03472	0.5
136.38924	0.5
141.01726	0.6
296.89862	0.7
342.11292	4.7
402.09564	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.125
Annotation	10-Acetylmonomelittoside
Peak:m/z	Relative Intensity
50.68952	0.5
59.01376	0.9
61.98819	0.8
62.59504	0.5
71.01354	0.7
71.19301	0.5
71.93913	0.5
85.02928	0.7
89.02402	0.7
109.02938	2.4
120.59632	0.6
121.02959	0.7
122.03722	2.3
123.04504	5.5
131.02690	0.7
137.02383	1.2
138.03210	2.9
139.03978	4.8
149.02391	2.6
150.03215	1.2
151.00351	3.5
151.03987	2.5
153.05576	21.5
154.02730	0.9
162.25934	0.6
165.01967	2.2
166.02713	54.6
167.03493	100.0
168.04037	1.0
179.03410	0.6
180.04321	0.7
181.05066	50.1
182.05855	27.1
192.00706	1.1
193.01433	0.9
197.08170	4.5
207.02940	1.1
208.03778	3.4
223.06136	3.9
225.04071	12.7
226.04834	46.6
241.07188	57.6
297.36429	0.6
329.08841	14.1
344.11038	0.9
367.16003	1.1
388.10135	16.9
403.12466	51.2
404.12704	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.4
61.98835	100.0
70.41483	0.3
71.01380	0.5
71.13390	0.4
84.55299	0.4
89.02457	1.7
97.71909	0.4
99.61973	0.4
114.39687	0.4
141.01759	0.5
155.39603	0.4
182.28676	0.4
185.06703	0.4
187.08614	0.4
207.27272	0.5
211.36356	0.4
250.02660	0.4
343.11432	0.4
368.98297	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1976
Annotation	Staphylionoside C
Peak:m/z	Relative Intensity
55.01906	1.4
57.03464	1.5
58.00583	0.8
59.01389	36.0
60.10679	0.4
61.98539	0.7
61.98837	13.6
67.59718	0.4
67.94005	0.4
69.03456	1.8
69.64032	0.4
71.01383	17.4
71.05017	2.2
73.02947	0.7
75.75356	0.4
81.06974	0.4
83.01378	1.6
85.02943	5.4
87.00867	0.7
89.02442	12.9
90.38326	0.4
92.11764	0.8
95.01385	1.8
96.85358	0.4
101.02439	11.8
106.28687	0.5
113.02462	4.9
119.03459	4.4
123.08141	2.1
163.11296	0.9
177.12726	0.5
179.14421	3.7
195.13824	0.4
197.11908	0.6
223.13400	19.8
241.14482	2.0
264.20435	0.5
317.19867	0.5
398.30991	0.5
403.19775	100.0
404.20337	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	403.1974
Annotation	Staphylionoside C
Peak:m/z	Relative Intensity
55.01884	1.1
57.03453	0.7
57.67146	0.5
58.00585	0.7
58.89262	0.5
59.01392	46.3
61.98841	13.3
70.75211	0.4
71.01388	24.2
72.99306	1.1
73.02932	3.0
75.00858	0.6
76.91679	0.5
83.01366	2.6
84.88175	0.5
85.02953	6.8
89.02447	18.8
95.01354	2.4
99.45031	0.5
101.02436	15.0
113.02447	7.6
119.03500	4.2
122.49068	0.5
123.08183	4.1
126.48518	0.5
138.60468	0.6
145.10246	1.1
161.13306	1.0
167.07072	0.6
179.14450	0.9
219.89493	0.6
223.13423	16.9
241.14589	0.9
267.36554	0.5
311.33884	0.6
338.30130	0.6
343.11331	1.0
345.15872	0.6
403.19772	100.0
404.20087	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	403.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	45.9
61.98846	100.0
192.59180	8.1
196.50847	7.8
214.96060	7.6
343.11542	12.3
388.42725	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	403.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	34.3
61.98849	100.0
71.01420	8.8
109.83585	8.9
111.11316	9.8
123.30602	8.5
134.53926	9.5
150.80879	9.7
159.82320	9.1
174.18971	9.7
235.74426	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	39.1
61.98830	100.0
62.68496	14.9
140.45195	16.2
151.29385	16.3
164.90656	16.8
216.45026	17.5
224.95599	16.6
347.63684	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	403.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98842	3.9
67.83681	0.4
87.44683	0.3
91.56232	0.3
116.92806	0.6
117.06744	0.4
121.04543	0.3
127.58965	0.4
141.01692	0.5
219.87270	0.3
220.11380	0.4
318.79715	0.4
386.02591	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46661	0.2
59.01392	100.0
61.98836	10.3
65.17690	0.2
65.56989	0.2
66.51155	0.3
110.75005	0.2
121.03011	0.3
143.87349	0.3
172.03488	0.3
236.29082	0.3
347.76599	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50270	0.3
51.45931	0.2
54.38763	0.2
59.01397	100.0
61.98843	6.3
71.17969	0.3
83.23986	0.3
86.31911	0.3
92.71656	0.3
100.04073	0.4
129.46935	0.4
220.61931	0.4
290.97372	0.5
302.72150	0.3
329.45773	0.4
357.15903	0.3
378.00665	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02063	1.7
57.03460	1.8
59.01391	21.8
61.98835	15.9
68.86457	2.2
71.01382	10.0
72.95827	2.5
73.02967	2.9
74.89117	1.7
77.70237	1.9
85.02958	3.5
89.02438	2.0
92.12318	2.2
97.06577	2.2
101.02427	2.7
113.02480	2.9
114.09233	5.0
128.94809	2.3
130.08727	100.0
131.76080	2.3
149.02411	3.2
150.03217	8.4
161.02495	2.6
165.05544	8.7
184.17049	25.7
195.06680	3.4
199.18196	4.2
211.18207	2.1
228.16103	8.8
241.15451	3.4
243.17043	21.9
245.79836	2.4
285.18195	90.9
315.19232	13.8
363.70041	2.3
405.21689	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02063	1.7
57.03460	1.8
59.01391	21.8
61.98835	15.9
68.86457	2.2
71.01382	10.0
72.95827	2.5
73.02967	2.9
74.89117	1.7
77.70237	1.9
85.02958	3.5
89.02438	2.0
92.12318	2.2
97.06577	2.2
101.02427	2.7
113.02480	2.9
114.09233	5.0
128.94809	2.3
130.08727	100.0
131.76080	2.3
149.02411	3.2
150.03217	8.4
161.02495	2.6
165.05544	8.7
184.17049	25.7
195.06680	3.4
199.18196	4.2
211.18207	2.1
228.16103	8.8
241.15451	3.4
243.17043	21.9
245.79836	2.4
285.18195	90.9
315.19232	13.8
363.70041	2.3
405.21689	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.7
57.03402	2.0
59.01391	35.1
61.05731	1.9
61.98835	100.0
62.49629	2.0
69.03448	7.9
71.01373	17.7
71.01726	2.0
72.99302	3.3
73.02935	31.7
81.37057	2.0
83.01404	3.0
85.02943	3.0
89.02423	4.0
93.18294	1.9
99.00901	2.3
101.02435	10.0
103.51395	2.3
113.02404	3.2
119.03429	2.7
125.27256	2.1
197.11096	2.5
219.06377	2.7
243.12314	8.3
313.31198	2.1
319.21170	4.9
361.22284	3.7
405.17059	7.0
405.21378	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1771
Annotation	Trp Ala Glu
Peak:m/z	Relative Intensity
55.01875	1.0
57.03449	3.5
58.00588	0.9
59.01387	41.4
61.98824	2.6
69.03435	0.7
71.01382	18.5
72.99300	0.9
73.02931	3.0
83.01375	1.8
84.57205	0.5
85.02956	6.6
87.00880	1.8
89.02441	12.3
91.24493	0.5
92.19460	0.4
95.01384	1.0
99.00864	0.8
101.02438	12.4
107.13107	0.4
113.02448	7.7
119.03503	4.5
128.03558	0.6
133.10188	0.6
143.04579	0.5
143.65175	0.5
145.10229	7.1
146.92949	0.4
147.84801	0.5
161.04515	0.7
163.11316	5.2
165.09164	0.8
181.12317	0.8
183.10243	2.9
207.10197	0.6
225.11267	2.8
243.12323	4.9
243.15981	0.6
271.97205	0.5
387.16446	2.8
405.17599	100.0
406.17651	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.0
56.17556	0.8
57.03444	4.6
58.25361	0.7
59.01386	83.3
60.57296	0.7
61.98833	54.8
64.34388	0.8
71.01379	9.0
71.92877	0.8
72.99306	0.9
73.02940	15.8
73.22282	0.7
83.01362	1.0
85.02948	4.3
87.00894	0.9
87.04519	1.7
89.02450	1.8
94.61198	0.7
101.02436	4.4
113.02428	1.4
116.07153	1.0
119.03523	0.9
123.08138	0.9
125.09718	5.2
129.10391	1.0
137.02455	1.6
137.09740	1.4
139.10283	1.5
139.11288	31.4
147.04585	1.5
164.07213	1.0
165.01924	8.9
165.09166	1.0
179.03625	2.8
180.04282	5.6
181.08818	1.4
181.12321	16.7
183.10260	43.5
195.06708	7.0
199.13387	13.8
225.07693	4.0
225.11322	17.2
225.14793	1.2
243.12373	100.0
257.13846	1.6
285.13480	30.4
301.20068	4.3
315.14545	6.0
319.21243	9.3
342.20337	3.3
345.15591	31.1
361.22464	4.6
405.17529	12.2
405.22211	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	405.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
61.98835	100.0
64.64643	0.2
77.76624	0.2
82.95436	0.2
116.92819	0.3
124.63525	0.2
156.88542	0.2
404.01791	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83455	0.2
59.01384	1.3
61.98837	100.0
69.97580	0.2
70.16328	0.2
72.53875	0.2
250.25584	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2133
Annotation	Staphylionoside J
Peak:m/z	Relative Intensity
54.83071	0.3
55.01872	0.7
57.03450	0.5
58.00583	0.5
59.01387	38.6
61.98841	5.0
64.64178	0.3
69.03448	0.3
71.01381	18.8
72.99303	0.8
73.02930	2.1
83.01376	2.2
85.02953	5.9
87.00887	0.5
87.04569	0.3
89.02440	14.8
95.01359	1.6
101.02432	11.5
108.02179	1.8
111.00903	0.3
113.02442	7.1
119.00810	0.3
119.03506	5.4
123.04565	0.7
123.66109	0.3
141.12183	0.4
150.03191	0.6
152.01193	3.2
162.03273	0.6
163.11272	0.5
167.03488	3.9
176.98239	0.3
178.02785	0.8
179.14424	0.7
183.10298	1.2
183.13875	0.4
221.04550	1.4
225.14984	20.8
226.15192	0.5
237.04071	0.6
243.12378	0.6
243.16035	3.5
278.21899	0.4
285.24155	0.3
375.07449	0.7
405.09247	3.7
405.21317	100.0
405.71207	0.4
406.21677	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2135
Annotation	Staphylionoside J
Peak:m/z	Relative Intensity
55.01880	2.1
55.14011	0.4
57.03440	2.9
59.01387	32.9
61.98837	21.0
63.99276	0.8
69.92442	0.4
71.01382	19.6
71.04987	0.6
72.99297	0.7
73.02942	3.6
82.95406	3.5
83.01375	3.3
85.02948	7.1
85.06558	0.5
85.61204	0.5
87.00882	0.7
87.04509	2.1
89.02440	10.0
95.01395	2.1
99.00869	0.9
101.02433	12.3
101.06097	0.6
102.32108	0.6
107.70411	0.5
113.02461	6.5
119.03473	2.7
127.07637	4.5
139.11266	1.0
150.03145	0.7
161.04593	0.6
166.02777	6.0
167.03459	3.3
181.05075	3.2
189.68008	0.6
197.15410	0.8
215.74272	0.5
225.15019	6.7
243.16037	15.4
290.97165	0.7
346.67908	0.6
387.20132	1.1
405.21344	100.0
406.21701	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	405.2131
Annotation	Staphylionoside J
Peak:m/z	Relative Intensity
55.01884	3.0
57.03454	3.0
58.00590	0.7
59.01393	41.3
61.98842	20.6
71.01389	17.7
71.05023	1.1
72.52755	0.5
72.99314	1.2
73.02956	6.7
83.01391	3.2
83.05027	0.6
85.02954	8.5
86.00050	0.6
87.00852	1.0
89.02433	5.0
92.12357	0.7
95.01385	1.0
95.43853	0.5
97.06554	0.6
99.00878	0.9
101.02443	11.3
113.02450	4.6
115.07619	1.1
119.03496	2.1
125.09681	1.2
127.05105	0.8
129.09232	0.9
129.10269	0.5
130.08748	0.6
139.00394	0.6
139.11282	9.8
147.04591	0.6
163.11168	0.5
164.07166	2.2
180.10309	0.7
181.12308	4.7
183.10258	11.4
199.13382	2.5
217.73373	0.6
225.11339	5.0
225.14861	4.6
240.75485	0.5
243.12376	30.4
243.16010	12.9
285.13492	8.1
290.97275	0.5
301.20267	0.7
315.14441	2.0
319.21213	3.7
345.15607	6.1
387.20364	3.2
405.21329	100.0
406.19934	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	405.2139
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01895	1.9
57.03464	7.2
58.00604	5.8
58.02983	2.1
59.01385	100.0
61.98835	25.4
71.01379	65.2
71.01752	2.7
71.05028	7.9
72.99331	3.0
73.02956	6.6
74.02479	6.4
78.24685	1.4
83.01401	7.3
84.02190	2.9
85.02946	18.4
87.00883	2.0
87.05663	3.5
89.02430	51.2
89.02941	2.2
95.01417	7.2
96.96027	2.1
99.00871	2.9
99.04539	1.9
99.05643	3.0
101.02431	33.2
101.06102	8.4
113.02430	22.0
115.56338	1.5
119.03491	23.2
123.08202	12.1
125.06121	9.6
128.03540	15.2
130.08742	14.2
133.06963	2.9
138.06900	2.6
141.09219	46.9
141.10226	2.6
143.03590	3.2
143.04688	13.8
145.06221	2.7
149.02534	2.5
153.09271	2.7
161.04637	3.6
164.04808	5.9
179.05821	4.2
179.07042	10.9
181.12477	6.9
183.10341	7.6
195.14090	1.6
197.15547	1.6
199.18265	2.8
210.08948	3.2
225.15038	3.2
243.07115	1.5
243.16277	30.2
254.07939	6.7
272.09085	6.8
307.08273	1.8
308.19489	1.6
308.76318	1.8
315.19269	14.9
405.12668	4.1
405.17700	8.9
405.21689	76.7
406.16602	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	405.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22237	14.5
59.01379	85.5
61.98840	100.0
96.30401	27.0
101.80298	15.4
152.29251	19.7
180.56306	22.3
369.86166	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	405.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37487	27.5
59.01384	100.0
60.77637	26.4
61.98819	86.8
77.98106	24.7
89.55067	23.4
96.29970	29.3
103.22029	27.5
127.87358	24.1
175.80283	24.3
246.70479	25.5
289.39896	31.0
308.94537	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37487	27.5
59.01384	100.0
60.77637	26.4
61.98819	86.8
77.98106	24.7
89.55067	23.4
96.29970	29.3
103.22029	27.5
127.87358	24.1
175.80283	24.3
246.70479	25.5
289.39896	31.0
308.94537	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.1
57.03444	5.6
57.46691	1.8
59.01395	29.0
61.98838	27.8
71.01382	61.8
73.02930	12.7
83.01374	8.7
85.02950	24.6
89.02437	4.6
92.05051	2.4
95.01392	3.9
99.00845	5.0
101.02444	33.0
106.06616	3.1
108.04527	2.8
110.06090	4.8
111.03262	100.0
113.02452	19.7
124.04017	23.8
124.07651	4.9
134.06116	4.1
137.04849	5.1
152.07181	33.6
159.02933	3.4
161.04591	31.0
199.06677	5.2
200.07498	39.6
226.11684	2.9
242.89844	2.5
386.78561	2.5
394.00586	2.6
405.17709	10.6
406.11765	41.2
406.17987	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	407.1843
Annotation	Mulberrofuran Y
Peak:m/z	Relative Intensity
50.95842	33.2
54.40250	31.1
55.03669	32.0
56.02665	31.7
56.13420	38.6
59.01380	100.0
61.98818	57.4
74.80842	35.8
89.02444	42.6
96.96022	36.5
105.75836	38.4
113.90528	37.6
221.60765	44.9
230.00444	41.0
240.91722	41.7
268.52121	37.4
291.74573	46.7
407.17944	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12064	0.3
59.01390	2.4
61.98833	100.0
64.34579	0.3
76.84364	0.4
89.02438	2.3
96.96002	1.6
96.96990	0.7
116.22140	0.4
117.86176	0.4
306.50391	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2206
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
52.25112	0.2
59.01385	1.1
61.98818	0.3
78.95901	71.9
96.96955	7.5
99.09105	0.3
103.68353	0.3
141.88860	0.3
150.98038	1.8
152.99594	100.0
162.71506	0.3
171.00682	3.4
172.66188	0.3
253.21623	2.4
264.75824	0.3
332.76270	0.4
407.22089	11.5
408.22003	0.4
419.75180	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.3
57.03460	1.0
58.00593	0.8
59.01387	29.4
61.98826	3.8
62.31287	0.5
71.00995	0.7
71.01383	17.7
71.05008	0.9
72.99291	1.1
73.02943	1.0
75.00861	1.0
78.60445	0.5
83.01379	2.7
85.02936	6.0
87.00875	0.8
89.02435	8.3
94.09059	0.5
95.01388	2.0
98.32379	0.5
99.00876	0.8
101.02431	11.3
113.02448	4.5
119.03504	2.5
121.02954	0.9
122.03782	0.8
126.49159	0.5
130.08714	5.1
155.14339	0.6
171.10172	0.6
180.82690	0.6
199.18170	1.3
227.16527	10.3
245.17583	21.8
256.20169	1.0
332.12817	2.2
342.20367	0.9
347.15128	3.1
372.21298	4.9
373.55865	0.6
389.21844	2.6
406.21780	0.6
407.22894	100.0
408.23016	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.5
57.03444	0.9
59.01387	68.9
61.98827	3.8
64.06078	0.6
69.09065	0.5
71.01381	13.0
73.02949	5.8
75.00896	0.6
75.72139	0.5
83.01392	4.2
85.02956	7.6
86.00115	0.6
89.02428	2.5
95.01350	1.2
99.00882	2.2
101.02442	11.2
113.02460	4.8
128.03026	0.6
135.07994	0.5
137.02434	0.7
142.11621	0.6
149.02441	3.7
150.03214	3.5
158.96863	0.8
158.98251	0.6
159.02985	0.7
161.04559	1.3
164.04895	0.8
165.05586	5.6
182.43027	0.5
195.06593	0.9
245.17647	1.0
335.20044	0.7
347.20837	2.9
359.15036	2.3
389.22119	1.0
406.21661	0.7
407.22906	100.0
408.23309	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	407.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.0
57.03458	1.1
59.01389	90.5
61.98841	3.6
64.21458	0.4
71.01385	13.1
72.99297	0.8
73.02937	5.8
82.07455	0.4
83.01395	4.2
85.02943	9.3
86.00104	0.6
89.02424	3.3
92.11752	1.0
95.01374	1.8
99.00860	1.9
101.02435	11.7
109.39986	0.4
111.55943	0.5
113.02455	5.9
119.03479	0.7
121.02948	0.7
122.03740	2.5
129.01917	0.5
146.75244	0.5
149.02440	3.7
150.03221	13.8
159.03017	0.7
161.04567	1.2
164.04791	0.9
165.05536	11.2
186.89490	0.5
195.06622	4.8
243.10626	0.4
245.17603	3.0
247.13501	0.5
347.20770	2.5
361.16675	2.3
371.17160	2.6
386.01544	0.5
407.22894	100.0
408.23090	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2294
Annotation	Phe Ile Gln
Peak:m/z	Relative Intensity
55.01881	2.1
57.03444	1.6
59.01387	74.3
61.98836	14.1
69.64082	1.1
71.01392	15.5
73.02935	5.4
78.95909	2.0
83.01351	1.9
85.02973	8.6
89.02453	1.9
101.02438	9.8
113.02429	6.6
146.03789	1.4
150.03235	5.9
154.12331	1.2
161.04575	1.6
162.91460	1.2
165.05550	7.2
165.28600	1.3
195.06699	1.6
222.48784	1.2
227.16464	1.4
245.17676	13.8
303.04865	1.4
347.20840	2.3
398.16858	1.2
407.22897	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	408.1513
Annotation	Linustatin
Peak:m/z	Relative Intensity
52.13844	0.6
55.01896	1.6
57.03453	1.9
57.39906	0.7
58.00585	1.0
59.01390	46.1
71.01392	57.2
71.05062	0.7
72.99310	3.3
73.02953	28.5
75.35328	0.8
81.03458	1.6
83.01401	6.2
85.02966	22.6
87.00874	5.0
89.02450	57.9
92.12346	1.0
94.34365	1.0
95.01379	4.3
97.02943	3.7
98.14285	0.7
99.00875	4.4
99.04518	1.6
101.02443	100.0
112.02288	1.1
112.04128	0.8
113.02448	20.9
119.03520	7.1
123.04500	2.0
125.02409	1.3
128.03552	1.0
129.01952	8.2
131.03511	14.9
132.87538	0.7
135.77765	0.7
142.03313	3.8
143.03477	4.0
143.04457	0.8
151.04062	1.5
153.05591	1.2
161.04562	51.2
161.08192	4.3
163.44025	0.7
179.05620	7.0
188.05479	1.2
195.03052	0.7
221.06670	1.8
323.09906	5.9
408.14926	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	408.1519
Annotation	Linustatin
Peak:m/z	Relative Intensity
55.01874	1.5
57.03452	2.4
58.00596	1.5
59.01115	2.3
59.01396	54.0
61.98821	7.3
70.25893	1.3
71.01389	100.0
73.02937	8.1
74.02460	1.5
74.78102	1.3
83.01373	5.8
85.02953	24.7
87.00858	5.4
89.02446	69.3
95.01377	6.2
96.00916	5.8
96.95999	5.8
97.02954	2.6
98.02479	1.3
98.04469	1.3
99.00874	7.7
101.02435	18.9
113.02457	46.1
114.05584	6.1
125.02396	3.0
128.03523	6.6
131.03479	2.3
137.02403	2.4
143.03473	8.4
146.04503	1.8
146.06172	1.4
149.02466	2.2
149.04613	1.3
150.03177	2.0
158.01292	1.3
161.04581	22.5
165.05624	1.7
176.04660	1.3
179.05664	12.0
183.01324	1.5
188.05591	1.6
214.36124	1.3
227.14014	8.7
228.14264	5.7
246.09796	2.0
280.44205	1.4
285.98779	1.3
321.04398	5.6
329.64960	1.4
380.49362	1.4
408.15115	64.1
416.49960	1.4
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
55.01873	0.3
57.06693	0.3
59.01381	2.9
67.01878	2.5
69.03452	6.3
71.01373	1.7
75.00853	0.6
79.05499	0.7
81.03451	5.3
83.01354	0.3
83.05035	0.5
85.02921	0.4
85.31594	0.3
87.00842	0.4
88.10252	0.3
89.02451	0.6
93.03428	0.8
95.01382	3.8
95.05018	5.8
95.33240	0.3
97.02301	0.6
97.02940	14.6
97.06567	0.5
99.20425	0.3
101.02447	0.4
107.05046	0.6
109.02941	2.3
111.04518	4.9
111.46965	0.5
115.00375	0.6
121.02927	0.7
122.03718	2.3
123.04513	66.0
133.01405	0.7
134.04724	2.0
135.04524	0.8
151.04010	0.7
153.05573	100.0
195.03079	0.4
197.04564	57.5
229.07172	8.2
409.17126	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95173	0.5
59.01384	4.4
65.18588	0.6
71.01370	0.6
87.10821	0.6
89.02403	0.6
93.03437	2.9
96.96015	1.2
101.02399	0.7
121.02944	7.5
122.03737	9.7
123.04603	0.8
130.08728	3.8
133.02887	0.8
136.01675	2.9
137.02437	1.1
149.02441	53.2
150.01967	1.5
150.03227	95.1
151.04051	5.4
164.04774	10.9
165.05571	100.0
180.04228	4.6
185.16617	3.7
195.06619	19.3
208.29337	0.6
213.07683	2.6
227.21675	0.8
229.15555	18.6
273.17844	0.8
285.07703	6.6
286.08508	8.1
301.10880	14.0
361.08405	1.3
361.12982	35.8
362.13406	0.8
384.39450	0.6
409.15277	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	409.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10833	0.4
57.69184	0.3
59.01397	4.4
61.98842	2.2
64.35247	0.4
71.01386	1.0
73.02924	0.4
89.02437	0.9
93.03439	2.4
96.96022	0.8
99.04514	0.4
105.32014	0.4
113.02467	0.7
114.40541	0.5
119.03468	0.6
121.02938	4.6
122.03739	12.3
123.04552	0.5
133.02933	0.7
134.03658	0.5
136.01627	0.9
137.02451	10.3
139.04051	0.9
149.02438	20.3
150.03226	99.8
151.03963	2.2
151.07619	0.5
152.04782	10.0
153.05229	0.5
161.04599	0.4
164.04784	3.3
165.05571	100.0
166.05916	1.6
176.04659	0.4
180.04295	3.8
195.06648	29.6
196.03786	30.1
211.06133	17.1
212.06523	0.7
213.07677	0.5
224.43121	0.5
285.07791	0.5
286.08398	1.6
295.97531	0.5
301.10757	1.7
331.13959	1.7
360.51794	0.4
361.12985	4.7
373.11453	12.0
409.15161	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	409.2002
Annotation	andiconin
Peak:m/z	Relative Intensity
53.22111	7.6
59.01395	100.0
70.04100	8.9
71.01363	10.6
72.10853	10.5
85.83125	11.0
96.75897	9.0
101.02402	10.5
108.29037	10.9
138.35506	13.9
140.07379	10.0
140.14128	8.9
149.02200	9.6
185.37646	9.5
193.05112	15.0
321.95578	12.1
333.59512	10.1
373.12918	16.7
408.23386	13.0
409.19516	90.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.7
57.03460	0.8
57.27294	0.6
58.00614	0.9
59.01389	100.0
61.98838	5.3
62.15812	0.5
69.87738	0.6
71.01388	24.7
72.99290	1.1
73.02948	3.5
83.01389	1.3
85.02949	7.9
87.00890	1.1
88.98810	3.4
89.02444	26.8
92.11671	0.6
95.01389	1.4
96.00946	0.8
98.02477	0.8
101.02436	20.9
113.02461	11.6
113.03207	0.8
113.03591	0.9
119.03497	11.4
119.05035	2.9
120.05357	2.3
143.03531	1.4
150.03242	0.9
161.04582	8.0
163.56548	0.6
164.31573	0.6
165.05658	0.8
166.08826	0.8
167.09018	0.9
179.05643	6.4
180.06718	1.4
181.07118	1.1
187.13394	4.8
196.41624	0.7
253.78076	0.6
286.20700	0.6
349.18732	45.3
374.14529	4.8
391.17148	3.0
409.20792	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	409.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77048	2.6
54.84459	2.6
57.03472	2.5
59.01386	15.8
61.98830	4.5
62.02975	2.7
63.80558	2.8
67.42025	2.8
69.03472	3.5
70.56537	2.8
78.95919	5.6
85.02953	17.0
92.24832	2.7
95.04974	2.8
97.02954	18.7
97.06583	4.2
97.22987	2.8
107.40780	2.9
110.72991	2.9
120.96033	4.8
129.62218	3.2
137.09724	5.1
152.88028	3.1
152.99562	6.2
158.28458	3.4
165.12875	24.8
168.91376	4.0
171.10193	24.3
172.49249	3.2
181.12263	3.5
193.08452	37.1
193.12282	5.2
200.14261	3.5
207.10054	6.9
211.13387	18.2
219.09979	5.9
221.11617	13.0
222.08742	3.5
229.14563	6.3
231.10023	12.4
233.11598	100.0
238.27376	3.0
244.08847	3.3
247.09242	3.3
248.10356	4.2
249.11147	12.1
251.12517	21.9
261.11108	15.4
321.83325	3.3
327.21841	66.2
331.18854	18.5
349.20026	92.6
364.80103	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	409.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04494	0.2
54.52850	0.3
78.95901	80.5
88.19584	0.2
90.10853	0.2
93.81763	0.2
96.96960	7.3
150.98065	1.6
152.99591	100.0
153.99927	0.3
157.08858	0.2
163.77557	0.3
171.00682	1.7
212.02298	0.2
255.23273	2.7
409.23682	17.7
410.24164	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68696	1.3
54.82693	1.4
63.44356	1.6
68.58649	1.4
76.27005	1.6
97.85671	1.5
99.08149	17.9
101.47917	1.7
127.07658	16.2
137.35188	1.4
145.08707	64.1
186.51651	1.8
190.03278	1.7
205.22368	1.6
221.26207	1.8
248.89810	1.9
281.24875	100.0
282.25299	2.3
409.33438	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	410.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61522	0.7
54.81844	0.8
55.96023	0.6
59.01384	12.9
61.98835	23.1
64.38432	0.6
70.02977	5.4
71.01377	3.6
71.02490	0.7
75.06721	0.7
81.02197	3.8
82.01693	0.8
82.02964	1.8
86.02486	0.8
87.05626	4.4
89.02411	0.9
91.05573	0.9
95.02518	3.5
96.00906	63.6
96.03296	0.8
96.96009	0.8
98.02476	20.8
100.04047	1.3
101.02459	1.2
107.32979	0.7
108.03343	0.7
108.04546	3.0
109.01714	2.9
110.02471	3.8
113.03567	64.6
116.05007	1.2
126.27364	0.8
128.03546	1.9
136.04048	4.5
144.25867	0.9
148.04387	28.8
156.04880	5.3
159.05949	1.1
172.07687	3.8
173.07301	1.1
174.04321	2.7
174.05682	1.9
186.09233	9.4
187.08794	4.4
189.06650	0.8
199.08699	1.0
200.07176	19.8
217.09821	1.6
222.04681	1.0
229.09958	1.8
230.08292	1.1
234.09578	1.4
239.11887	0.9
240.10324	1.1
249.05655	1.1
256.09802	6.2
261.08920	0.9
265.09799	1.1
270.10007	1.3
277.10309	1.9
278.08548	8.9
283.10886	4.0
288.10458	0.8
295.11240	4.9
313.10339	1.0
349.18707	1.3
350.19092	3.6
372.21252	0.9
375.10242	100.0
376.10413	5.2
392.12924	44.6
393.12228	3.5
410.13937	7.5
424.67154	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86250	1.4
59.01383	10.2
61.44802	1.8
61.98833	1.8
71.01362	1.7
82.95419	27.7
92.65295	1.8
105.68494	1.6
134.00052	3.0
149.99608	43.0
161.99580	16.6
168.41599	1.8
176.01131	16.2
177.99084	84.0
179.18756	2.0
191.03493	24.1
192.99672	2.2
193.01414	66.4
193.84325	2.1
205.98526	2.8
220.98788	3.5
221.00934	100.0
234.12039	2.1
236.03264	8.7
236.58754	2.3
249.14967	3.0
266.02435	2.5
324.99808	1.7
325.03409	16.2
350.20355	3.4
351.20984	2.0
368.05176	2.2
381.02582	34.6
396.04904	59.8
411.07214	82.3
411.20071	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76839	0.8
61.98827	3.9
63.61141	0.6
63.99416	0.7
72.00909	50.2
73.01990	0.7
74.02466	21.6
82.68263	0.8
89.97543	0.8
96.50227	0.8
96.96008	1.8
100.00402	100.0
100.04029	9.5
100.63604	0.9
118.05099	96.9
121.16743	0.9
128.69556	1.0
134.04732	5.0
144.03027	67.7
160.02635	6.6
179.21428	0.9
188.91010	0.9
255.13597	1.0
288.37784	0.9
296.67581	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06552	0.3
56.96169	0.2
57.92070	0.2
67.26436	0.3
72.00901	15.2
77.19870	0.3
86.28048	0.3
91.05497	1.4
123.46319	0.3
146.06052	0.3
147.04510	49.5
158.33575	0.3
164.07161	100.0
325.85562	0.3
338.10706	0.3
352.94348	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.4
59.01380	11.4
60.42798	1.2
61.98840	3.5
83.05040	2.0
88.19907	1.5
89.78651	1.4
99.08178	13.0
99.16783	1.6
125.09722	13.3
127.11305	12.0
129.09259	1.7
137.09814	1.8
139.11288	37.6
148.41858	1.4
155.10866	1.8
157.12354	3.5
163.11427	1.6
165.08975	3.1
165.12830	23.6
165.78914	1.5
167.10580	2.0
167.14328	1.7
171.10274	52.6
171.11682	2.4
171.60706	1.5
178.53279	1.7
183.13928	2.2
190.89200	1.3
191.06955	2.2
193.06728	2.4
193.08472	72.5
193.12271	1.4
193.23222	1.5
194.08818	1.4
205.12144	3.6
209.11928	2.4
211.13432	29.8
221.11649	14.6
229.14471	15.4
231.09995	10.0
233.11597	87.5
249.11194	16.1
251.12984	27.1
293.21393	2.6
329.23376	100.0
330.23633	2.9
333.20157	2.1
351.21530	69.8
357.51233	1.7
395.20578	6.4
411.23318	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	411.2392
Annotation	Rhodomollein XIII
Peak:m/z	Relative Intensity
51.97633	1.1
54.82059	1.5
59.01388	66.1
61.98838	2.3
68.99565	8.0
83.05017	1.8
85.02955	22.9
99.04527	1.8
101.87665	1.6
112.98561	6.6
151.11237	1.7
153.94884	1.5
229.14476	1.8
247.16965	1.8
277.17963	1.7
315.19751	6.7
333.20609	10.7
343.43448	1.5
349.07608	1.9
349.20325	2.1
351.21802	100.0
372.61588	1.5
411.27463	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64228	0.2
57.47880	0.2
59.01387	100.0
82.83859	0.3
109.88932	0.3
194.14264	0.3
206.59798	0.3
272.49667	0.3
279.35413	0.3
335.90524	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
59.53705	0.3
67.13273	0.3
70.64017	0.3
92.11921	0.3
95.66994	0.3
124.08005	0.4
156.35011	0.4
358.00632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74453	0.3
52.99717	0.3
55.01878	0.9
57.03462	7.1
58.00597	0.7
59.01388	28.2
61.98830	2.6
62.42953	0.3
71.01382	15.4
72.00908	0.9
72.99290	0.6
73.02951	2.7
76.01611	0.4
80.08977	0.3
83.01406	2.9
85.02958	5.6
87.00888	0.5
89.02445	8.7
91.05533	6.1
92.42678	0.3
95.01382	0.8
99.00871	0.7
99.64143	0.4
101.02444	9.4
102.05605	24.2
113.02445	4.8
118.06631	3.5
119.03490	2.0
147.04526	10.1
148.07588	0.5
162.05676	0.5
164.07179	12.9
173.26793	0.4
188.10803	0.7
198.49232	0.4
206.11899	11.5
214.08820	0.6
232.09814	0.8
250.10832	5.7
265.80191	0.4
353.14606	0.7
377.18423	0.7
412.16193	100.0
413.16470	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	412.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
60.01722	0.7
61.98829	1.4
66.04006	0.7
67.13042	0.6
71.01383	3.3
73.02956	3.1
74.21554	0.6
85.02971	1.1
89.02439	0.9
99.92009	0.8
101.02438	5.6
113.02446	1.5
161.04475	0.9
221.10364	7.4
353.14633	12.0
357.20810	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39137	0.2
50.61632	0.2
56.67730	0.2
59.01390	37.4
100.40874	0.2
104.02690	6.6
120.70554	0.3
131.02612	0.3
131.77422	0.3
136.30409	0.3
145.51616	0.3
148.01691	10.3
160.49838	0.3
176.01163	100.0
177.01524	0.6
182.40221	0.3
189.09990	0.3
191.03522	89.7
192.03825	1.2
201.01857	0.4
220.02596	0.3
284.82962	0.3
287.36435	0.3
371.02289	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	0.7
59.01397	12.0
61.46534	0.7
61.98822	0.8
68.99584	100.0
71.01387	8.5
73.02948	5.2
83.01402	1.1
84.99298	0.8
85.02951	3.6
89.02451	1.7
99.00913	0.8
101.02448	11.6
109.63643	0.8
112.98569	83.5
113.02466	3.6
117.26417	0.7
117.80959	0.7
120.38566	0.8
126.06228	0.7
159.03020	0.9
161.04588	2.9
166.51405	0.7
168.98911	2.9
208.01189	0.7
221.10341	12.0
284.10577	2.8
299.12936	3.4
353.14575	28.4
375.04218	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54533	0.5
53.44414	0.4
55.01875	3.0
57.03447	1.4
58.00615	0.5
59.01384	24.3
69.03472	0.7
71.00980	1.0
71.01378	26.8
73.02948	17.6
75.00901	0.9
82.58047	0.5
82.68072	0.5
83.01382	7.3
85.02944	15.2
85.84976	0.5
87.00879	0.8
87.86145	0.5
89.02448	7.4
91.90846	0.5
95.01370	2.0
99.00880	6.5
101.02437	37.2
105.23833	0.5
111.00901	0.6
113.02445	16.0
125.02394	1.1
129.01984	0.8
131.03471	0.8
143.03496	0.9
151.68481	0.5
159.02980	2.8
161.04588	11.0
221.10320	46.1
302.87115	0.6
353.14569	100.0
386.35242	0.6
407.53644	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78003	0.9
53.85079	0.9
55.01880	2.0
57.03451	2.5
58.00584	1.4
58.49592	0.9
59.01387	100.0
61.98838	1.4
69.68418	1.1
71.01379	54.0
72.99308	4.0
73.02945	16.7
82.95396	4.5
83.01384	7.1
85.02946	19.8
87.00868	1.7
89.02444	35.7
89.08950	0.9
91.12122	1.0
95.01369	4.5
97.02916	1.1
99.00847	5.4
101.02436	47.8
102.34371	1.0
113.02454	24.4
119.03506	12.2
131.03499	1.7
143.03516	2.3
146.53821	1.1
159.02986	1.1
161.04529	14.7
163.86288	1.1
179.05598	1.6
221.10339	28.5
227.11794	1.4
227.14204	1.1
233.11838	20.5
272.75723	1.1
353.14581	70.4
354.15067	1.9
375.20316	4.3
413.18173	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	413.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
92.12416	0.3
96.70184	0.3
145.90259	0.3
149.79491	0.3
218.27725	0.3
350.56299	0.3
405.69284	0.3
422.53030	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98857	0.3
57.20702	0.3
59.01388	100.0
69.56086	0.3
77.60578	0.4
101.45408	0.4
316.05219	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93221	3.1
59.01387	32.7
61.98829	14.0
63.41525	2.9
66.17416	3.6
68.58266	2.9
71.01384	30.5
73.02937	5.3
73.84110	3.4
84.61771	2.8
85.02982	4.2
89.02443	41.5
96.96006	25.6
99.00877	5.2
101.02441	17.7
107.43307	3.2
113.02481	4.1
115.04012	6.7
125.02470	12.3
131.03445	4.2
133.01431	7.9
149.04543	13.1
161.04546	13.3
163.21854	3.0
221.10365	5.1
233.06914	3.3
236.34430	3.5
293.08856	22.3
294.95663	3.5
307.53293	4.0
323.26758	3.2
353.14487	7.0
378.14175	75.9
414.11749	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	414.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	23.8
61.98838	100.0
66.40746	0.3
71.01385	4.8
72.99314	0.3
73.02946	0.3
85.02979	1.1
86.75052	0.2
87.00906	0.3
87.32722	0.2
89.02449	6.6
89.02969	0.4
96.00969	0.3
101.02449	3.3
113.02481	2.0
119.03503	2.5
126.90954	0.2
130.08742	0.3
136.07712	0.3
157.83972	0.2
171.10333	0.5
179.05693	1.0
221.10483	0.4
222.10780	0.3
351.16635	29.3
352.17227	0.4
353.14575	0.5
354.15164	0.9
370.15329	0.4
414.23895	0.5
415.17520	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77562	0.4
51.48524	0.3
55.37883	0.4
59.01387	94.6
60.01722	16.4
61.01810	16.3
61.02108	0.8
61.82552	0.4
61.98835	100.0
62.02152	0.6
66.13487	0.4
71.01386	0.4
77.96172	0.4
93.97195	0.5
155.27705	0.5
163.07578	0.5
198.13501	0.4
222.10643	0.5
286.94574	0.6
354.15079	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03223	0.2
55.98969	0.2
57.06309	0.2
57.91233	0.2
58.71945	0.2
59.01397	55.7
60.01730	9.8
61.01822	11.3
61.02053	0.5
61.42001	0.2
61.98844	100.0
62.02144	0.8
71.51662	0.2
101.02405	0.4
121.58391	0.2
159.04689	0.2
354.14856	1.0
422.66360	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1037
Annotation	Aquillochin
Peak:m/z	Relative Intensity
59.01392	8.3
61.98833	0.8
69.03458	1.7
69.66041	0.7
71.01387	3.3
89.02408	2.7
90.89381	0.7
93.03490	1.0
94.99759	0.8
96.60554	0.9
96.96011	1.1
97.02944	0.8
101.18425	0.6
107.01389	6.9
113.68506	0.7
119.01365	2.8
119.43418	0.7
123.00836	0.7
125.02404	0.8
135.00880	17.5
147.00861	1.4
150.03239	1.2
161.02466	3.5
163.00381	36.0
175.00439	0.9
176.04796	0.9
177.01952	1.0
179.03510	7.4
190.99879	100.0
192.00653	43.1
193.01459	8.6
194.05891	4.1
205.01376	1.1
206.02222	80.7
207.03003	21.5
209.08218	9.0
265.36758	0.8
325.18726	0.7
334.98721	0.8
344.56738	0.9
355.15408	1.1
415.10413	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1378
Annotation	Schisantherin P
Peak:m/z	Relative Intensity
59.01384	63.6
61.98833	29.3
63.29024	4.1
71.01375	46.1
72.99339	5.0
73.02972	6.3
82.10139	4.7
85.02976	11.1
86.02972	4.7
88.04051	8.7
88.98789	7.4
89.02448	28.0
96.95995	23.2
99.00841	7.1
101.02438	34.1
113.02444	11.6
119.03539	6.6
125.02441	9.7
128.03464	8.7
153.54552	5.2
153.76643	4.5
157.69170	5.0
161.04550	11.5
161.39330	5.4
190.42686	5.7
233.00191	5.0
247.11835	7.4
379.16235	65.0
402.10162	5.7
415.13705	100.0
415.22110	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1616
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
52.92114	0.7
57.03459	0.9
58.00598	3.9
59.01385	90.8
69.69205	0.7
71.01381	60.0
72.99306	1.9
73.02944	26.2
82.49714	0.7
83.01382	1.1
85.02962	7.4
88.89772	0.8
89.02434	100.0
95.01413	1.5
99.00869	35.2
101.02428	34.0
102.98572	0.8
109.02945	1.3
113.02434	10.3
115.04042	1.1
119.03474	7.7
125.02437	5.4
128.51382	0.8
131.03467	14.6
143.03421	1.2
149.04543	43.3
154.46500	0.8
161.04576	1.9
179.05542	1.2
191.05630	13.7
221.06639	1.6
232.24814	0.8
251.07721	1.6
273.41211	1.0
365.32861	0.9
377.18079	1.4
379.19736	1.2
415.16254	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	415.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55079	0.9
54.25597	1.0
55.01885	12.8
57.03462	8.6
58.00596	1.8
58.59477	1.0
59.01387	86.7
61.98820	2.1
62.66050	0.8
71.01382	100.0
72.99288	2.5
73.02945	35.6
75.00842	1.7
83.01382	20.0
85.02946	56.9
87.00859	6.6
89.01611	1.1
89.02442	24.1
95.01385	9.7
99.00887	14.7
101.02438	86.4
104.79145	1.0
109.84917	0.9
113.02449	40.1
118.85046	1.0
119.03494	6.5
129.01935	1.9
143.03517	4.2
159.03021	10.3
161.04555	50.8
174.44923	1.0
213.25285	1.1
341.19885	4.9
342.71082	1.0
353.19745	67.8
371.20773	19.5
385.18704	12.6
397.18848	2.2
402.96365	1.1
415.19800	43.0
416.20322	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	3.5
56.08699	1.6
57.03455	3.7
58.55872	1.2
59.01388	41.5
61.98846	10.6
69.66689	1.4
70.02986	5.7
71.01384	45.5
73.02958	18.3
74.02471	64.6
75.57925	1.3
82.06637	2.9
83.01396	7.0
84.00922	1.5
85.02948	24.4
87.05633	2.3
89.02438	14.0
95.01398	2.0
96.00909	36.7
98.02480	15.3
99.00862	8.2
101.02444	28.8
109.01704	6.3
110.02505	3.5
111.00903	2.5
112.02815	7.8
113.02468	14.3
113.03580	13.6
114.05627	1.5
119.03521	2.3
123.03268	2.4
125.02494	2.3
125.03560	2.7
126.09276	1.9
127.05165	10.9
129.10365	3.7
131.03664	1.6
131.04634	3.1
138.09262	7.0
139.08760	11.0
140.07228	6.0
141.10365	1.9
143.11916	12.2
159.03026	2.2
161.04544	13.0
166.08690	11.9
169.09863	7.6
171.61946	1.4
187.10889	20.5
193.96785	1.7
208.99176	1.8
209.09373	3.0
215.12959	3.2
221.96300	7.0
222.96999	2.2
225.16081	19.6
236.98666	12.2
237.99425	7.6
253.01718	8.5
283.11868	24.5
292.20251	1.9
336.19327	10.6
377.18185	25.2
379.19690	12.1
380.18314	100.0
397.21011	25.6
408.13483	1.7
415.07205	5.6
415.16214	41.7
415.22037	23.6
416.16397	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24717	0.7
54.31854	0.6
55.28865	0.5
59.01369	4.8
61.98838	1.0
71.01389	1.2
78.61827	0.8
78.62309	0.5
78.95877	5.6
152.99590	19.8
185.95822	0.6
197.97925	0.6
204.15341	0.6
279.23297	100.0
280.23611	2.9
415.22580	10.3
432.04510	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	8.2
61.44193	0.7
71.01366	1.1
73.94402	0.7
76.75746	0.8
78.46317	0.8
78.95908	4.7
82.29063	0.8
84.51725	0.9
88.63225	1.0
89.02455	1.1
96.40500	0.8
101.02426	0.9
113.02485	0.9
122.16238	1.0
145.77586	0.9
152.99593	21.1
195.19371	0.8
202.30429	0.9
210.04379	1.0
225.05452	1.2
239.21350	1.0
279.23297	100.0
280.23599	1.0
320.48032	0.9
334.14081	1.0
336.03040	0.9
355.12399	3.4
415.22632	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	415.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08615	0.2
59.01387	0.9
68.99577	2.2
74.67466	0.3
74.99098	5.4
77.00665	66.9
85.16819	0.2
89.02478	0.3
90.41022	0.2
90.86923	0.2
112.98550	1.8
118.49110	0.2
147.08165	2.6
149.09677	2.3
160.09001	0.4
161.09738	1.2
163.11284	3.8
179.10791	0.4
187.11313	3.0
192.08035	0.3
193.78859	0.2
265.12314	0.4
279.13879	1.3
279.23297	0.9
280.14719	1.4
295.64685	0.2
307.17136	1.0
309.22318	2.6
321.18625	0.9
322.19110	0.4
337.21786	100.0
338.22278	1.8
415.23181	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	415.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	100.0
65.03860	0.3
83.03830	0.3
105.03480	0.2
120.27256	0.2
123.74067	0.3
130.47247	0.3
133.98308	0.3
175.53838	0.3
224.68651	0.3
258.94232	0.4
330.34189	0.3
359.48187	0.3
395.54581	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50016	0.4
59.01387	100.0
66.68694	0.4
80.59774	0.3
82.14038	0.3
86.47688	0.3
88.98820	0.3
92.03773	0.3
113.60224	0.3
163.27460	0.4
196.74387	0.4
198.85417	0.3
224.42577	0.3
257.60007	0.4
336.91150	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.3
61.98832	100.0
76.19690	0.2
86.14781	0.2
91.91756	0.2
109.02973	0.2
121.75867	0.2
122.52877	0.2
140.93713	0.2
154.53479	0.2
176.01192	0.5
177.01590	0.2
178.01700	0.4
190.35052	0.2
191.03476	0.5
192.03949	0.4
193.04137	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33471	0.2
59.01384	0.7
61.98840	100.0
68.68066	0.2
71.01390	0.4
72.01721	0.2
73.02975	0.3
73.30659	0.2
85.02962	0.3
101.02445	1.2
103.02894	0.3
121.53543	0.2
167.58418	0.2
221.10420	0.7
222.10748	0.4
223.10991	0.4
224.11116	0.2
354.15018	0.2
355.15219	1.1
356.15320	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	416.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96921	0.7
60.99303	1.3
61.98835	34.6
64.09714	0.7
65.55930	0.8
65.66203	0.7
71.01399	0.9
71.26392	0.9
74.39819	0.8
84.50507	0.7
87.10733	0.7
107.06149	100.0
125.06070	1.9
142.05093	16.1
148.43756	0.8
169.05009	1.8
169.06190	44.2
170.45625	0.8
238.68105	0.8
399.48599	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61676	0.1
51.74225	0.1
59.01388	28.1
60.01722	4.9
60.02012	0.2
61.01814	5.5
61.02102	0.2
61.98837	100.0
62.02146	0.2
68.48010	0.1
74.46233	0.1
89.81474	0.1
92.11707	0.2
97.64035	0.1
116.92881	0.3
117.25234	0.1
141.14555	0.1
153.54211	0.1
269.15302	0.1
369.85962	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17531	0.3
59.01389	58.2
60.01723	9.5
60.02013	0.5
61.01811	11.7
61.98838	100.0
62.02156	0.4
65.80809	0.2
82.70362	0.3
92.12329	0.3
99.60295	0.3
111.11360	0.3
124.77470	0.3
143.75296	0.3
164.11633	0.3
177.09190	0.4
178.09659	0.3
338.21780	0.5
341.20627	1.5
356.23050	1.2
396.21817	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28446	0.3
57.03455	0.3
59.01389	3.0
61.98824	0.7
73.02943	2.3
75.00870	0.7
76.31433	0.3
96.96040	0.3
99.00859	0.6
99.92580	8.4
116.02507	0.6
116.92854	100.0
117.01932	2.6
117.83755	0.3
167.22839	0.3
175.76521	0.3
269.08273	0.8
284.10440	2.8
299.12912	1.9
309.72507	0.3
357.07532	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57030	0.5
52.29954	0.5
58.00615	1.0
58.24466	0.5
59.01385	70.0
61.98834	52.5
62.08784	0.6
62.98548	0.8
67.43694	0.6
69.03449	0.6
71.01380	41.7
71.33616	0.6
72.99300	1.3
73.02949	17.9
73.87706	0.5
74.99425	0.6
78.13455	0.6
83.01407	0.5
85.02953	4.0
87.00891	0.8
88.63428	0.5
89.02439	100.0
95.99763	0.8
99.00876	30.0
101.02435	31.0
113.02425	4.2
115.77724	0.7
119.03521	1.1
125.02445	2.3
131.03499	10.1
135.02985	0.6
143.03494	2.5
149.04552	51.6
161.04616	2.6
191.05637	13.8
221.06712	6.9
238.41368	0.7
251.07805	4.6
275.07785	0.8
293.08990	2.4
311.10001	4.2
311.13336	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1537
Annotation	(-)-Lirioresinol A
Peak:m/z	Relative Intensity
58.06905	4.6
59.01385	95.1
59.96973	4.8
61.98837	100.0
62.98529	4.3
71.01371	26.4
73.02911	7.5
75.00854	23.4
85.02939	6.2
88.98819	10.4
89.02419	37.4
91.29209	4.6
96.06945	5.2
96.95995	24.2
99.00880	7.4
101.02437	8.4
109.02954	5.3
113.02451	6.2
123.04472	7.6
127.01170	5.9
130.18329	5.1
130.36200	5.2
135.04518	5.5
142.59120	5.1
149.04596	7.4
149.06067	5.7
164.04599	7.2
171.31117	6.7
195.06645	58.2
205.54199	6.0
214.07408	8.9
257.37680	5.5
279.67139	6.3
319.23526	5.7
417.10181	8.6
417.15594	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1562
Annotation	Comazaphilone F
Peak:m/z	Relative Intensity
55.01885	0.8
56.11050	0.7
56.33018	0.8
59.01394	8.3
61.98829	2.0
67.01893	1.5
68.99828	1.5
70.26321	0.7
75.00871	2.1
83.01401	10.4
83.05012	1.5
87.00883	4.1
88.44864	0.8
88.98817	1.5
95.01384	4.9
95.98730	0.8
99.00846	1.2
101.02415	1.3
103.98699	0.8
109.02971	1.7
111.00892	13.7
112.98804	4.5
121.02911	1.3
123.00886	27.0
124.01686	8.5
124.98725	1.1
125.02430	8.8
125.99596	1.4
127.00377	12.5
128.93286	1.0
136.40265	0.9
136.98804	13.2
137.02379	7.1
137.99568	3.7
138.03235	19.9
139.00378	45.6
139.04025	5.2
140.01128	1.1
141.02036	1.4
146.75873	0.9
153.01924	8.2
153.05562	7.7
154.02739	6.6
154.99831	1.1
155.03545	1.3
161.06021	1.5
178.02742	1.8
179.03474	4.1
180.04240	1.1
189.05615	6.9
191.03522	3.6
192.04286	3.5
193.05078	5.1
194.05968	1.1
204.07967	1.0
205.05098	8.2
206.05789	9.0
207.06615	6.6
211.13333	1.2
220.07465	4.8
221.08226	7.7
233.04581	4.2
235.09940	3.0
247.06108	1.7
263.09299	1.2
321.75836	1.1
329.23111	2.2
352.17889	0.9
386.84241	1.0
387.10815	3.9
402.13251	16.4
417.15607	100.0
418.15927	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	417.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29925	0.4
51.28543	0.4
55.01888	3.3
57.03453	3.2
58.00607	0.6
59.01396	31.2
61.98829	2.4
63.43140	0.5
64.33681	0.5
71.01392	24.1
72.99311	1.0
73.02950	17.3
75.00874	7.6
76.26373	0.5
79.91490	0.5
81.76110	0.5
83.01378	3.7
84.02139	0.5
85.02953	12.4
87.00868	2.4
89.02451	8.3
90.31618	0.6
92.11634	1.1
95.01372	3.2
99.00872	3.1
101.02440	16.6
110.70461	0.5
111.00825	0.8
113.02446	9.5
119.03473	2.5
129.01924	0.7
147.06343	0.6
152.57104	0.5
161.04527	1.3
173.05859	0.7
175.14911	2.3
181.12320	7.2
193.08430	3.0
205.03926	0.6
219.06419	12.5
237.07524	0.7
237.15048	3.3
255.16002	2.1
256.99063	0.6
278.73453	0.5
341.10968	0.6
388.86975	0.6
405.14700	0.7
417.21344	100.0
418.21478	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	417.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82678	0.6
55.01873	3.8
57.03452	1.5
58.00592	0.8
59.01387	43.9
61.98829	2.9
67.47752	0.6
71.01382	23.0
72.99280	0.9
73.02944	12.5
75.00868	7.2
83.01386	4.1
83.84659	0.7
85.02946	11.3
87.00890	0.7
89.02440	15.7
95.01384	1.4
99.00883	2.8
101.02441	15.5
113.02444	6.9
119.03490	4.4
120.47054	0.6
145.00117	0.6
149.13373	1.1
159.03029	0.8
181.27809	0.8
237.15001	3.2
255.16017	2.4
274.16608	0.7
341.10648	1.0
417.21368	100.0
418.21667	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2418
Annotation	cLPA(18:1)
Peak:m/z	Relative Intensity
59.01376	24.7
61.98809	14.1
67.60796	10.4
71.01363	12.7
74.30431	11.4
75.00847	11.7
93.03468	21.3
97.15588	12.0
99.02803	11.0
116.92892	11.1
149.09747	22.6
185.60777	11.5
189.40997	10.4
211.24179	13.5
255.23262	77.4
281.24857	100.0
417.24561	14.4
436.15161	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	417.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69297	0.2
53.81435	0.2
55.65029	0.2
59.01389	100.0
60.01724	0.3
61.98834	0.4
67.22701	0.2
89.09991	0.2
101.02443	1.0
139.49898	0.2
194.35547	0.2
199.72885	0.2
244.51135	0.2
255.23337	2.0
256.23721	0.3
310.62677	0.3
420.60736	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38803	0.2
58.98914	0.2
59.01384	100.0
60.01735	0.3
81.93053	0.2
82.43834	0.2
92.11684	0.2
166.33124	0.2
343.99838	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54165	0.2
59.01392	51.7
60.01726	9.9
61.01819	11.0
61.98841	100.0
62.02148	0.9
87.01878	0.2
134.23233	0.2
178.58791	0.2
292.52844	0.3
378.67551	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79522	0.3
59.01394	18.6
60.01724	3.9
61.01825	3.0
61.98841	100.0
64.07343	0.3
64.33989	0.3
75.09064	0.3
77.79864	0.4
87.00855	0.4
96.59820	0.3
114.38676	0.4
116.92875	0.7
122.33810	0.3
132.56332	0.3
205.20522	0.4
415.76968	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37228	0.6
56.87405	0.5
58.97757	0.6
58.99616	1.1
59.01387	3.8
59.32554	0.6
59.66637	0.5
59.96285	0.5
61.98833	1.2
81.81294	0.6
82.67365	0.6
92.11721	1.4
97.94400	0.6
107.75199	0.6
108.21571	0.7
120.98781	1.3
120.99653	37.5
191.87857	0.8
224.04781	0.9
239.07196	2.9
256.07404	3.2
267.06641	95.8
268.07144	0.8
271.09778	6.9
282.08997	99.6
283.09344	1.3
297.11346	100.0
298.11768	2.7
419.11746	28.4
420.11966	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01112	0.8
59.01385	17.5
61.52662	0.7
70.20461	0.7
71.01384	12.3
72.99277	0.9
73.02920	1.5
78.95909	1.1
83.01361	0.7
85.02940	3.0
87.00861	9.7
89.02427	5.6
92.11778	1.2
93.03458	1.8
96.96002	12.0
96.96947	1.1
99.00890	0.9
101.02432	4.6
113.02425	5.3
119.03477	3.9
121.02921	6.1
135.04517	1.4
137.02457	1.9
149.02429	2.8
160.10590	0.8
161.04527	4.6
163.04019	46.8
163.05402	1.6
164.04794	78.5
178.06357	17.2
179.05765	4.8
179.07137	100.0
180.07516	1.5
205.62073	0.9
337.18381	0.9
341.12451	13.8
359.13849	0.9
374.30487	0.9
440.38348	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34150	0.4
57.03480	0.5
59.01386	18.2
61.98828	1.0
64.75883	0.5
71.01388	2.1
76.35793	0.6
79.16187	0.5
89.02425	0.6
96.95996	9.5
109.97349	0.6
121.02948	7.7
122.03727	1.0
123.00853	0.9
123.04481	0.8
124.01598	0.7
136.01657	0.6
136.05318	1.2
137.02487	1.2
137.06107	0.6
147.04498	5.3
149.02449	3.2
150.03238	7.1
158.03731	5.6
159.04523	15.8
159.05765	0.7
160.05299	42.9
161.06075	13.5
162.03235	0.5
163.04042	7.7
164.04782	6.9
173.06044	5.6
175.07637	37.6
177.05568	9.9
178.06346	9.1
192.07964	0.8
193.08696	2.3
196.58641	0.5
299.13101	0.7
306.82855	0.6
314.11685	0.8
329.13989	100.0
330.14447	1.3
390.20703	0.6
419.22748	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	419.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
57.03448	1.4
58.99607	0.6
59.01386	20.7
61.98587	0.3
61.98840	4.4
71.01385	9.7
72.99301	0.7
73.02929	0.6
73.03329	0.3
74.54217	0.2
75.00858	0.3
76.34665	0.3
79.52562	0.3
82.91086	0.3
82.95385	0.4
83.01378	1.5
85.02948	3.5
87.00876	1.4
89.02440	7.8
92.12358	0.8
95.01379	0.6
100.34412	0.3
101.02435	7.4
102.98582	4.5
113.02441	3.8
119.03479	3.0
121.86607	0.3
123.08162	0.6
137.09714	12.6
149.09743	0.3
153.00174	0.6
161.04573	0.3
165.12843	0.4
169.03302	0.3
180.57680	0.3
181.12387	0.4
183.13879	0.7
190.99872	1.8
193.12341	1.8
198.40051	0.3
206.02142	2.5
210.19220	0.3
211.13425	2.5
221.04605	2.5
239.12909	12.7
257.13950	6.6
283.04971	3.1
310.02914	0.3
318.49277	0.3
385.03879	0.3
410.04816	0.3
419.19284	100.0
420.19717	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	420.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.8
61.98842	13.9
66.03489	2.1
68.55406	1.2
68.74829	1.1
71.01379	2.1
72.00906	8.0
73.24714	1.2
74.02474	11.8
82.02988	66.7
82.06626	22.8
89.13195	1.8
93.03448	26.5
93.38913	1.3
100.45081	1.2
106.04230	2.2
107.05051	1.8
110.02459	5.9
112.98165	1.2
113.06084	19.2
119.05031	18.4
130.08730	79.2
136.07700	5.3
156.06671	88.2
163.03986	10.7
167.11914	1.4
178.08714	3.2
180.06654	37.6
180.08107	1.9
183.93806	1.4
195.11407	81.3
221.09364	29.1
239.10388	100.0
420.12036	2.6
420.17819	83.8
421.17426	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	420.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02910	0.3
59.01386	100.0
61.98835	1.9
64.67233	0.5
70.53078	0.4
70.79573	0.4
84.13619	0.4
92.11797	0.6
114.39809	0.4
159.25937	0.5
168.26610	0.5
189.26233	0.5
331.19162	0.5
333.20737	7.1
360.22098	0.7
393.23309	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25584	0.3
59.01390	28.5
60.01726	5.2
61.01808	6.7
61.98839	100.0
62.02151	0.5
69.01129	0.4
74.65529	0.4
82.94763	0.4
112.21123	0.5
116.92892	0.6
249.09711	0.5
256.23895	0.8
280.50674	0.6
331.46225	0.5
357.34995	0.5
390.29681	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1558
Annotation	Losartan
Peak:m/z	Relative Intensity
64.34927	5.5
71.55096	4.5
79.64388	5.2
102.12394	4.6
106.46307	5.5
114.09886	5.4
121.02961	8.4
132.05313	5.4
139.33932	5.1
152.74254	6.2
182.06006	5.9
206.22021	6.0
215.24783	5.2
223.55716	5.3
292.24487	5.5
315.13364	5.5
421.15668	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	421.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67307	0.2
57.03453	3.7
58.02983	3.5
59.01386	3.7
61.98808	0.3
62.80893	0.2
70.02604	0.4
70.02979	12.8
71.01381	1.2
71.05022	18.5
72.00890	0.5
72.99316	0.3
78.72632	0.2
79.31327	0.2
87.05637	8.1
89.02419	0.4
96.37729	0.2
97.04076	0.6
99.04522	5.9
101.02433	1.2
115.05101	2.2
116.07172	3.4
125.02447	0.4
128.07172	0.5
129.05566	2.0
129.06468	0.3
130.03313	9.1
131.96233	0.3
146.08237	100.0
147.06003	4.1
147.08611	1.9
175.05472	0.3
197.13051	0.4
217.11966	21.6
218.12346	0.3
241.12036	0.4
243.13513	0.4
277.12302	86.3
278.12585	3.1
316.97144	0.3
319.13284	0.4
377.17883	0.3
421.16284	0.9
421.20953	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	421.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76376	5.0
59.01388	100.0
61.98841	57.0
71.01382	40.6
73.02930	9.2
75.00867	10.3
75.64687	6.0
82.95437	9.7
85.02956	7.8
88.04012	10.2
88.98800	9.6
89.02431	29.8
89.57085	6.5
96.96053	12.7
101.02425	13.6
121.02963	8.7
123.04585	8.9
149.02409	16.1
150.03246	44.8
152.01135	7.6
165.05545	43.7
166.23155	6.0
167.03477	25.7
195.06667	10.4
315.08847	11.3
335.20844	12.7
377.21725	9.2
385.24463	13.0
387.62155	7.4
421.16119	58.6
421.20901	97.6
440.86920	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	421.1639
Annotation	Pomiferin
Peak:m/z	Relative Intensity
58.53966	3.8
59.01374	9.0
59.64582	3.7
61.98829	18.2
66.16913	3.8
72.45948	4.7
88.98744	4.2
89.02398	5.3
92.12321	6.5
97.86839	4.0
98.02489	4.7
114.38937	4.4
117.77197	3.9
155.92079	4.5
209.04579	4.9
214.07288	4.6
275.92258	4.8
421.16245	100.0
421.21149	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	421.1641
Annotation	Kuwanon D
Peak:m/z	Relative Intensity
51.30339	5.7
54.82502	6.3
55.35671	6.3
58.94520	6.7
59.01390	30.1
61.98830	32.1
62.43443	6.1
71.01404	9.0
73.02945	7.0
74.99170	6.4
92.35448	5.5
92.65559	6.6
93.45061	6.6
94.75069	6.0
120.06670	6.6
177.66817	6.5
179.10713	7.7
241.40437	7.1
421.16348	100.0
421.21033	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	421.164
Annotation	Kuwanon D
Peak:m/z	Relative Intensity
51.13558	9.8
51.28510	9.9
52.85595	9.1
54.75059	12.1
59.01380	89.7
61.98830	65.3
67.40996	10.9
67.41396	10.2
69.23669	13.5
71.01374	15.9
76.57854	11.8
101.02422	14.3
138.31808	13.5
151.00372	18.1
155.10754	14.1
157.01215	12.5
179.10760	20.0
183.64906	13.5
201.27193	13.3
214.83705	12.8
221.08037	16.0
223.09796	16.3
235.09520	24.3
391.20303	14.8
421.16272	100.0
421.21085	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	421.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88201	0.3
59.01382	1.3
59.87540	0.3
61.98564	0.4
61.98832	4.4
71.01373	0.7
87.09483	0.3
90.49673	0.3
107.08654	0.4
114.76414	0.3
123.08167	1.4
137.09679	0.4
141.12994	0.4
153.09230	3.5
155.10762	2.8
193.08456	14.4
199.09819	0.5
207.06406	2.4
211.09361	0.4
221.07971	100.0
222.08337	0.8
237.07487	5.9
239.07793	6.1
293.08850	2.7
326.08618	0.4
331.14368	0.4
364.57825	0.4
403.16119	2.2
421.17252	13.6
421.24536	1.6
426.65100	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2256
Annotation	1,4-Bis(2-ethylhexyl) sulfosuccinate
Peak:m/z	Relative Intensity
51.81021	0.3
53.05168	0.2
55.04846	0.3
61.98820	0.3
66.09520	0.3
78.95899	20.9
79.95745	1.3
80.96510	100.0
85.38354	0.3
96.96956	1.9
114.38734	0.3
136.29965	0.3
152.99588	23.4
298.37943	0.3
421.22778	28.7
422.24048	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82714	0.2
55.83463	0.2
68.48059	0.2
78.67253	0.2
80.91667	0.5
95.35594	0.2
163.11281	100.0
164.11617	2.7
225.22673	0.2
302.79028	0.3
339.23300	48.0
340.23666	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	421.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42316	43.2
54.37012	39.2
61.98831	100.0
80.70699	45.9
94.59764	52.5
96.95934	55.3
173.95370	52.2
348.28970	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	421.237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33006	39.2
52.20925	44.8
59.01377	100.0
61.98833	82.9
62.00664	47.5
104.04651	51.6
105.98223	51.9
161.84175	58.1
194.22606	58.6
203.86195	59.8
245.00427	55.7
251.71552	54.7
311.22433	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31771	71.9
69.20300	71.1
106.58657	94.8
233.85106	90.2
235.36339	78.9
384.78021	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	423.1797
Annotation	Abyssinin III
Peak:m/z	Relative Intensity
59.01374	30.0
61.98832	100.0
71.01366	6.9
81.47653	3.6
106.09954	4.2
108.37209	4.2
130.08696	5.5
130.88335	4.3
140.14227	4.6
181.86597	4.4
252.35695	4.3
259.24866	4.7
271.10168	4.3
303.13846	5.6
358.07596	4.0
393.05011	4.2
423.17804	82.6
423.22507	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	423.1799
Annotation	Abyssinin III
Peak:m/z	Relative Intensity
52.67050	3.5
53.86193	3.5
54.82315	3.9
56.30212	3.9
59.01387	89.0
60.47519	3.9
61.98832	25.6
71.01379	28.2
77.82989	4.2
85.02975	5.7
88.21225	4.3
89.02415	23.2
97.45588	4.6
101.02432	19.6
113.02446	6.7
119.03461	5.9
120.99664	5.3
150.03181	5.1
165.05617	8.9
207.53650	5.6
233.11972	4.9
387.16736	33.5
423.03992	9.6
423.17682	67.0
423.22488	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	423.1796
Annotation	DIHYDROMUNDULETONE
Peak:m/z	Relative Intensity
56.29360	2.1
59.01384	26.4
61.98834	19.5
71.01382	10.2
79.33371	2.1
85.02950	3.5
88.98839	2.4
101.02445	3.9
113.02448	2.5
143.21457	2.5
166.02852	2.4
195.06610	3.4
303.13782	3.6
423.17950	100.0
423.22577	18.2
428.93719	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	424.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47324	1.0
55.54111	1.1
59.01385	1.7
62.88826	1.2
66.03486	6.1
71.01370	3.3
72.00922	12.3
72.45805	1.2
74.11549	1.3
76.57189	1.8
78.95879	1.8
82.02986	16.5
83.01377	1.5
83.80885	1.3
87.92489	1.4
88.04045	1.5
93.03441	8.5
96.95985	1.5
96.96918	1.9
110.02481	60.1
111.01987	16.5
119.05029	25.6
122.02449	2.8
128.03523	2.9
130.08760	2.3
134.06029	1.5
140.03543	3.1
145.96748	1.9
152.03522	14.3
153.03026	3.2
161.96196	1.6
163.03990	39.9
180.06662	100.0
200.05684	24.4
206.92529	1.7
243.06218	95.1
247.38309	1.5
267.53394	1.5
308.75424	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11527	0.4
59.01384	3.2
61.98834	100.0
73.02950	0.6
82.95423	2.2
85.26833	0.5
90.28375	0.6
97.54594	0.5
101.02477	1.0
137.09756	2.7
155.10771	18.6
199.09769	17.9
199.11421	1.0
241.10747	4.2
271.12015	2.1
271.73489	0.5
301.12924	5.0
313.93829	0.5
346.94217	0.5
361.14938	7.1
419.45801	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99035	0.2
57.18576	0.2
59.01384	1.6
61.98832	100.0
63.99249	0.3
71.01370	0.4
73.02938	0.8
76.21524	0.2
82.95423	1.3
85.02959	0.3
87.04514	1.0
101.02460	1.2
101.82627	0.2
105.44735	0.2
112.86792	0.2
113.02468	0.4
135.08186	0.3
137.09714	2.2
153.09189	0.3
155.10774	13.6
155.12001	0.5
169.12347	0.3
181.08755	0.9
199.09767	13.6
213.11435	0.4
225.20959	0.2
241.10793	2.7
271.12051	0.9
280.27734	0.2
301.12918	2.7
351.36014	0.2
361.15115	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	424.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65071	0.2
61.98834	100.0
76.81040	0.2
82.95420	0.9
96.13628	0.2
96.41654	0.2
139.97627	0.2
166.05910	0.2
189.08940	0.2
195.51903	0.2
364.17535	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76582	0.1
59.01384	0.2
61.98837	100.0
71.01379	0.2
82.95400	0.2
84.34114	0.2
143.28146	0.1
199.13486	0.3
361.18643	3.8
361.22275	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1954
Annotation	Broussoflavan A
Peak:m/z	Relative Intensity
54.82602	5.8
59.01386	65.7
61.98828	36.9
64.65137	6.0
67.58778	5.5
71.01379	20.7
82.95422	50.8
83.20451	5.6
89.02459	9.7
92.12350	6.7
101.02423	11.9
259.02518	9.4
261.13602	6.4
318.55060	6.5
389.18161	100.0
425.05219	6.0
425.19098	71.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1952
Annotation	Cys Arg Phe
Peak:m/z	Relative Intensity
50.06636	3.9
56.09153	3.4
59.01379	8.9
61.98841	69.5
67.52327	3.2
70.90144	3.6
82.95420	8.9
83.38383	4.1
118.30560	4.0
118.56034	4.4
131.48698	4.7
140.35602	4.3
149.49072	4.2
154.46347	3.8
155.10713	5.3
156.11143	4.0
162.60533	4.2
175.76358	3.8
200.10101	5.9
214.88605	3.6
229.49289	3.7
284.60632	4.5
362.15515	6.0
387.16379	9.6
425.19501	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	425.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82276	0.3
57.03438	0.5
59.01386	3.1
70.86317	0.4
71.01382	36.7
72.99305	11.5
82.95421	0.5
87.00849	0.9
89.02427	0.4
96.95986	0.7
97.06559	1.6
111.08174	0.4
113.09737	1.6
115.00370	18.7
115.07635	0.5
125.06049	0.6
133.01419	7.4
137.02412	0.4
139.11311	0.5
141.09233	1.8
165.12848	3.2
167.14378	0.8
181.12402	3.3
183.13939	0.9
183.56857	0.5
193.12334	0.6
195.14003	0.7
211.13403	3.4
213.15024	0.6
221.15405	0.9
229.14368	0.5
237.14923	0.5
240.13695	1.6
241.14528	0.7
245.19072	0.5
247.20775	3.7
273.18613	2.6
281.21268	1.7
291.19696	26.7
292.20010	0.6
309.20758	100.0
310.21066	2.4
335.22400	0.5
363.22162	0.5
407.20685	4.0
425.22012	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63410	0.4
57.03442	0.7
59.01383	3.7
69.03474	0.4
71.01380	28.2
72.99000	0.5
72.99313	7.9
78.95881	0.5
85.40938	0.4
87.00859	0.6
92.11810	0.6
99.00869	0.8
99.04454	0.5
100.30579	0.4
109.06586	0.7
111.08134	1.9
115.00362	5.4
119.03506	0.5
119.94175	0.4
120.89684	0.9
121.02933	0.8
127.11208	0.6
133.01436	0.7
151.11357	0.6
153.09259	0.5
153.12881	3.4
155.10698	0.8
165.12895	0.6
167.10779	0.9
169.12347	0.7
179.10828	0.6
179.14432	0.9
181.12305	3.5
193.16125	0.4
197.11841	2.3
207.13919	2.6
215.12868	0.6
226.12259	0.5
227.12778	0.6
247.20718	3.8
265.21875	0.8
273.18661	2.3
281.21313	0.7
291.19687	24.8
307.19125	0.6
309.20740	100.0
310.21042	2.2
318.98724	0.6
319.22763	0.7
335.22379	0.8
366.09949	0.5
407.20749	1.6
415.83188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87532	0.5
52.08022	0.5
57.28746	0.5
59.01387	100.0
61.98854	0.7
67.28235	0.6
69.04993	0.5
69.95528	0.6
78.95910	0.8
80.98287	0.6
82.95396	0.6
85.02916	0.9
87.00890	0.7
96.96000	5.4
121.66945	0.6
184.67842	0.6
186.66644	0.7
194.77245	0.6
238.24701	0.7
333.20709	1.1
356.50586	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24396	0.4
59.01386	100.0
60.01706	0.7
60.47802	0.4
67.72215	0.5
68.99551	0.4
71.01389	1.2
80.43728	0.4
82.95439	0.6
89.36929	0.4
92.11766	0.6
167.31409	0.5
191.19986	0.5
290.47052	0.6
291.19727	4.5
309.20715	7.0
335.22470	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.7
57.03472	1.1
58.00600	4.4
59.01393	100.0
60.79081	0.6
65.75248	0.6
71.01388	86.0
72.99302	3.7
73.02956	1.9
78.35007	0.7
78.95940	0.8
83.01390	5.3
85.02954	7.7
87.00879	4.1
89.02443	90.2
91.29779	0.7
95.01392	3.1
96.97020	2.4
101.02437	36.2
107.05034	1.0
113.02451	16.1
119.03489	16.2
131.03490	3.0
143.03517	3.7
144.75540	0.8
149.04570	3.5
161.04498	6.4
179.03743	4.1
179.05592	23.9
215.43365	0.9
400.43109	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
57.03453	3.0
59.01382	33.4
61.98834	6.7
71.01381	42.6
73.02946	11.3
77.64968	1.5
82.95417	3.7
84.95124	3.7
85.02955	22.5
89.02451	8.8
92.11644	1.7
95.01395	1.9
99.00877	2.7
101.02442	21.7
107.08686	3.6
109.06586	6.7
112.68393	1.9
113.02452	19.5
119.66301	1.4
135.08180	9.8
149.09700	1.7
153.09219	100.0
159.02948	2.4
161.04562	36.6
167.10762	10.1
179.05504	1.6
188.05563	5.8
195.10330	8.5
227.97084	1.7
246.09686	1.9
297.13486	3.4
366.27863	3.0
426.17734	72.4
427.18192	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37721	7.1
59.01373	49.6
61.98812	17.9
71.01371	53.6
73.02921	10.4
78.95895	9.7
84.95120	49.3
85.02945	19.0
89.02449	14.4
92.12383	9.4
96.96015	41.1
101.02435	49.5
113.02453	17.9
151.04028	13.7
161.04584	9.8
197.13936	9.7
235.11888	19.1
283.89343	10.0
367.16284	63.3
391.12363	100.0
427.10345	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06249	0.6
51.60389	0.6
52.10286	0.6
53.96568	0.6
55.01884	3.5
56.03875	0.7
57.03451	1.4
59.01387	86.8
69.03456	1.1
71.01382	28.5
73.02945	17.7
75.00848	1.0
77.77334	0.7
83.01383	13.0
85.02944	21.0
89.02444	4.8
89.59945	0.7
94.11791	0.7
94.74198	0.7
95.01386	3.2
97.02966	1.3
99.00852	5.6
101.02436	42.5
103.04011	0.9
103.18238	0.9
113.02453	14.6
143.03479	1.0
145.05096	0.7
151.87442	0.7
159.03026	2.8
161.04575	13.8
219.17876	0.7
221.10315	66.2
222.10634	0.8
367.16116	100.0
368.16241	1.1
404.26428	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2109
Annotation	3-O-Angeloylsenecioodontol
Peak:m/z	Relative Intensity
51.57130	8.4
59.01386	78.0
61.98827	22.8
64.34325	9.9
71.01372	53.9
71.36964	10.5
82.95406	13.4
84.95119	43.2
85.02943	17.1
87.00891	10.9
87.86087	9.3
95.28759	9.9
101.02442	46.1
113.02477	13.7
127.92168	11.1
146.93539	12.8
195.07153	12.4
235.11978	34.8
261.14435	11.7
273.21814	10.3
367.16116	73.7
427.20889	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	427.2109
Annotation	3-O-Angeloylsenecioodontol
Peak:m/z	Relative Intensity
51.57130	8.4
59.01386	78.0
61.98827	22.8
64.34325	9.9
71.01372	53.9
71.36964	10.5
82.95406	13.4
84.95119	43.2
85.02943	17.1
87.00891	10.9
87.86087	9.3
95.28759	9.9
101.02442	46.1
113.02477	13.7
127.92168	11.1
146.93539	12.8
195.07153	12.4
235.11978	34.8
261.14435	11.7
273.21814	10.3
367.16116	73.7
427.20889	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	427.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83139	0.3
57.03469	0.2
59.01155	0.4
59.01394	6.0
61.98825	0.4
71.01385	33.3
72.99307	12.4
82.95410	3.1
84.95115	0.7
87.00871	0.7
96.99300	0.3
113.09706	0.4
115.00362	17.2
115.07673	0.5
127.07620	0.7
128.08394	0.3
133.01425	8.7
155.10788	0.3
162.67688	0.4
167.14441	2.5
176.68588	0.3
183.13889	1.9
194.73163	0.4
195.13933	9.9
211.13336	0.4
213.14925	0.5
237.15039	0.4
242.15234	0.6
265.21646	0.7
267.23193	0.6
275.20029	0.5
283.22809	0.4
293.21255	9.3
295.90601	0.3
311.22311	100.0
312.22626	1.5
321.24432	0.5
365.23376	1.6
409.22275	5.4
427.23254	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	427.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56038	0.4
56.22396	0.4
57.03450	0.4
59.01109	0.5
59.01395	14.2
61.98842	0.6
62.52530	0.4
66.60448	0.4
71.01385	26.7
71.48139	0.4
72.99310	8.7
73.02945	0.6
84.00034	0.4
87.00861	0.6
99.92561	0.7
106.85493	0.4
109.19515	0.5
115.00371	4.6
116.92863	7.8
125.09779	0.5
127.11247	0.7
129.09181	0.6
130.68761	0.5
133.01442	1.0
153.11749	0.5
153.12859	3.7
169.12338	2.1
180.28397	0.4
181.12360	10.2
195.13785	1.0
197.11926	0.8
199.13385	0.7
210.65675	0.4
215.12840	0.6
228.13718	0.5
265.21704	0.6
267.23337	0.7
293.21268	9.7
309.20764	1.6
311.22314	100.0
312.22733	3.6
321.24280	0.6
324.56778	0.5
367.15927	0.7
396.87878	0.5
409.22406	1.8
436.63901	0.5
438.64072	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00396	1.2
54.89948	1.4
59.01380	9.5
59.92233	1.4
61.30506	1.5
61.98837	1.8
71.01387	45.2
71.05025	1.8
72.99305	15.1
89.67998	1.3
91.46950	1.3
101.02458	1.8
107.39537	1.2
115.00355	12.9
133.01407	1.8
138.09245	1.6
167.02731	1.4
171.10303	2.1
178.11644	1.6
179.56880	1.5
221.15521	2.3
235.11844	2.0
249.67953	1.5
293.21249	3.3
310.02765	1.7
310.26254	1.5
311.22299	100.0
311.55664	1.6
331.19363	5.7
339.21768	2.4
367.16199	6.3
409.22342	12.4
427.23230	9.4
448.84293	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	427.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82611	1.0
59.01386	100.0
61.98849	1.4
62.77717	0.6
68.99573	1.5
69.71901	0.8
71.01375	14.0
71.23148	0.8
72.99305	2.2
92.65444	1.1
99.92551	1.3
107.34056	0.9
114.06102	0.8
115.00329	4.6
116.92856	13.9
125.09705	1.1
139.11272	1.0
155.30434	0.9
167.33670	1.0
195.13921	1.9
199.13368	0.9
239.11243	0.8
275.20227	4.3
276.76239	1.0
280.48331	1.1
283.22858	1.2
293.21121	7.2
311.22296	71.4
318.52933	1.0
367.16000	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	427.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82444	0.6
59.01389	100.0
61.98842	0.6
62.86094	0.4
86.13117	0.4
92.92802	0.7
101.03081	0.5
102.50484	0.4
116.92842	3.7
137.58270	0.5
179.51811	0.6
202.22771	0.5
293.21167	4.9
339.53745	0.5
355.72968	0.5
367.16293	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	427.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57958	0.5
51.50494	0.5
51.89838	0.5
53.28304	0.5
54.43972	0.5
54.82584	0.6
55.75402	0.5
59.01393	100.0
64.34422	0.6
71.01385	0.6
74.56538	0.5
82.86809	0.6
84.19052	0.5
99.92591	1.2
100.03112	0.6
111.06667	0.6
116.92863	7.0
117.92823	0.6
119.62820	0.6
140.84383	0.7
150.03281	0.6
157.01726	0.7
208.51039	0.6
254.62982	0.6
293.21204	5.4
367.16113	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	427.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.7
61.98830	0.6
72.99313	1.0
73.02945	0.7
75.00875	100.0
79.84570	0.4
81.17321	0.4
82.39704	0.4
90.46554	0.4
106.80650	0.4
107.41842	0.4
107.78067	0.4
126.97857	0.4
135.65207	0.5
320.74832	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44252	0.6
54.75388	0.6
54.82238	0.8
59.01388	100.0
61.98838	1.4
62.44001	0.6
62.74235	0.6
64.34129	0.7
66.49968	0.7
67.05901	0.6
71.01365	2.8
72.99335	0.8
100.33618	0.7
101.02429	1.1
115.00364	1.5
235.11859	1.5
235.17024	1.8
275.20264	4.9
293.21307	3.6
311.22211	7.2
313.18103	6.5
322.05176	0.8
327.16458	0.8
335.39023	0.9
367.16028	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	427.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	80.7
69.30161	0.4
71.01401	3.0
73.02942	0.7
91.04005	0.6
92.92800	0.4
94.92515	4.0
99.92586	15.7
100.92603	0.5
106.20509	0.4
114.46152	0.4
115.92072	0.9
116.92854	100.0
117.01952	0.7
117.92859	5.9
118.89996	3.1
120.02659	0.4
125.06045	0.5
127.69043	0.5
195.13835	0.4
264.07825	0.4
275.20093	2.5
293.21286	7.8
298.08334	0.6
311.22263	8.7
336.73529	0.4
367.15585	1.7
374.11902	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34795	0.4
50.73880	0.5
54.27376	0.6
56.70966	0.5
59.01386	100.0
61.98822	3.3
71.01373	3.2
81.91607	0.6
85.02932	0.9
91.03970	1.2
113.02416	0.9
116.92834	2.4
140.26312	0.7
148.39619	0.6
172.47153	0.7
223.36383	0.7
244.58733	0.6
293.21286	11.3
311.22269	11.9
367.16010	1.3
374.92419	0.7
378.83701	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87198	14.1
59.01386	100.0
61.98825	25.3
71.01389	32.5
71.28837	17.8
73.02934	15.2
78.00979	15.6
80.96480	16.5
96.95988	88.2
101.02428	29.3
128.65616	14.8
204.14040	17.4
221.15654	23.0
235.11922	26.0
314.99008	17.9
364.56406	18.4
367.15869	56.7
369.16840	23.8
423.48770	18.1
427.27481	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33540	9.1
59.01386	22.9
62.80228	8.3
68.75769	8.8
71.01374	42.2
92.47810	9.0
96.95989	22.3
96.96960	11.8
103.51707	8.4
104.17834	9.8
126.90478	100.0
130.25546	11.9
159.02800	10.9
164.73853	10.8
182.30811	11.6
195.12056	8.9
199.17068	73.2
204.90503	12.5
232.15327	11.1
235.12003	11.4
269.08179	10.9
284.10669	21.1
299.12839	48.1
311.22305	49.8
315.19180	9.7
356.29901	11.6
367.16122	56.7
427.27499	89.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67199	3.4
59.01377	24.1
61.98827	8.8
69.83543	3.8
70.03958	3.8
71.01363	18.8
72.92344	3.2
73.76707	3.4
75.00848	6.9
87.00871	6.3
89.02436	57.8
89.29678	4.3
92.11831	4.7
96.95997	9.6
99.00850	9.5
101.02444	19.5
103.76705	3.8
132.76692	3.8
149.04575	41.0
191.05690	5.9
221.06589	6.4
233.92792	4.3
293.08810	5.3
309.62964	4.3
311.09937	16.1
406.07208	4.4
428.13290	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59362	2.0
54.82046	2.5
55.01887	3.2
55.66085	2.4
57.03438	2.8
59.01099	3.7
59.01381	55.8
59.58224	2.2
59.90492	2.4
61.98544	4.8
61.98833	93.6
71.01384	53.9
72.01675	2.4
72.99303	3.9
73.02944	26.5
75.00861	65.9
83.01385	13.3
85.02944	20.6
87.00855	10.8
87.04243	2.9
89.02419	29.0
96.95994	10.4
97.02895	4.1
99.00224	2.5
99.00851	15.6
101.01850	3.5
101.02439	54.3
102.02726	4.0
113.02459	19.3
115.04007	3.1
121.80370	3.2
121.88869	2.7
125.02424	17.1
130.08704	3.2
143.03496	3.3
159.02922	2.7
161.04506	26.9
171.57764	3.0
202.37059	2.7
204.24971	2.6
233.06668	13.0
235.11850	35.5
236.12163	23.8
244.02623	2.6
267.74139	3.0
293.08807	27.9
367.16086	53.5
368.16391	74.6
392.15637	100.0
428.13260	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67887	0.5
51.53250	0.5
57.03450	0.8
58.00593	0.7
59.01389	9.6
59.77917	0.5
61.98831	1.3
62.50113	0.7
69.10149	0.6
71.01385	6.8
73.02961	4.9
83.04995	0.6
85.02942	4.5
87.00858	1.1
87.04517	8.2
89.02422	0.8
95.05003	0.7
97.02917	0.8
101.02458	4.5
113.02431	3.0
135.08174	3.7
137.09731	19.0
139.11325	0.8
140.43558	0.6
151.11302	0.8
155.10793	100.0
161.04588	2.9
163.11215	0.7
169.12326	1.3
171.12375	0.6
179.10826	1.3
181.08739	4.0
191.10750	1.4
195.10260	1.1
199.08076	1.1
199.09792	22.9
200.10078	0.8
213.11479	1.1
229.64935	0.7
241.10764	4.5
248.78088	0.9
255.12431	1.2
283.11884	3.8
428.19281	95.5
429.19736	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	429.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12206	0.8
54.82586	1.1
57.03458	64.5
59.01390	22.3
61.98828	4.0
64.35492	0.9
71.01376	10.4
71.96309	1.1
73.02938	2.3
75.00867	0.9
81.03471	1.2
82.95425	1.3
83.01365	1.6
85.02944	5.7
85.49708	0.9
87.00874	8.5
89.02441	4.2
96.96007	2.0
99.04514	29.8
101.02438	12.5
108.02181	96.1
113.02450	4.1
123.04523	100.0
125.02430	11.5
130.08681	1.1
144.76761	1.0
148.06648	1.0
161.04539	5.3
161.09755	10.1
174.03143	1.1
176.03728	0.9
185.08020	1.1
185.40842	0.9
187.11201	1.6
190.94984	0.9
192.55301	1.1
205.12361	26.8
262.41846	1.2
314.97302	1.3
393.21332	6.1
429.13904	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03475	0.4
58.02984	0.4
59.01383	1.9
61.73746	0.3
61.98836	4.9
71.01362	1.3
74.70514	0.3
75.00893	0.4
78.95869	0.3
82.95422	3.0
85.02927	0.4
87.00887	1.2
88.04059	0.3
88.11185	0.3
96.96026	2.2
100.84435	0.4
101.02424	0.4
109.02945	0.4
110.66193	0.3
111.00881	0.6
114.25818	0.4
121.02951	2.1
133.02965	1.2
134.03735	64.9
137.02448	10.8
138.66328	0.3
139.03990	3.6
149.02501	0.4
149.06082	19.8
150.03210	1.6
178.01524	1.0
178.02711	46.0
193.05063	100.0
194.05420	0.8
212.29253	0.3
213.37054	0.3
429.13989	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1537
Annotation	Diasesartemin
Peak:m/z	Relative Intensity
57.03436	5.3
58.76724	5.1
59.01133	5.0
59.01389	66.3
67.64407	6.4
68.72999	4.7
71.01383	38.5
73.02948	7.5
75.14799	4.8
85.02946	5.7
87.00879	25.1
89.02442	61.2
96.95999	43.9
98.21095	4.9
101.02423	21.6
108.02166	7.1
113.02473	10.4
119.03533	8.5
131.03514	6.1
149.04607	13.1
161.04605	6.5
253.03835	5.6
361.68829	5.6
393.17679	100.0
394.19717	5.4
429.15076	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96333	0.2
59.01394	0.5
59.91797	0.2
68.43316	0.2
71.01393	0.4
72.99313	1.2
73.02925	0.4
75.00870	100.0
76.01206	0.6
86.33238	0.2
87.49574	0.2
87.61572	0.2
89.02403	0.2
101.02435	0.4
118.42908	0.2
135.90106	0.2
187.36485	0.2
221.10330	1.2
318.43866	0.2
353.14551	3.4
366.28436	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33185	0.5
50.51783	0.3
55.01880	4.0
57.01995	0.4
57.03441	2.5
57.44415	0.4
58.00602	0.4
59.01387	28.4
59.01689	0.9
61.98806	0.5
64.16969	0.4
66.65045	0.4
69.03457	0.9
70.53823	0.4
71.01384	41.4
72.99311	1.1
73.02950	19.4
74.26337	0.4
75.00866	2.1
78.95879	0.5
83.01382	7.6
85.02950	16.8
87.00867	12.2
89.02437	15.0
95.01379	2.6
96.95988	2.9
97.02943	2.3
98.02489	0.5
99.00881	8.3
101.02440	42.7
102.05618	3.6
105.16376	0.5
111.00874	1.0
113.01709	0.8
113.02448	15.4
115.00389	2.4
115.03989	1.9
117.01929	0.5
117.27428	0.4
119.03548	0.7
125.02422	3.7
128.03526	2.1
129.01962	0.7
130.08716	2.4
131.03487	2.0
133.01422	2.6
137.94931	0.5
143.03496	3.0
146.04582	3.8
149.04543	0.9
150.04271	0.9
159.03006	4.8
161.04561	24.4
169.01418	0.5
178.05125	0.9
233.06697	2.8
237.09808	31.4
246.52966	0.5
293.09061	0.7
341.10739	0.7
369.14075	100.0
370.14349	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	429.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46391	0.2
59.01377	0.4
60.42884	0.2
63.19025	0.2
71.01385	0.8
72.99306	1.1
73.02956	0.2
73.40179	0.2
75.00870	100.0
76.01212	0.3
77.79659	0.2
80.06686	0.2
81.62169	0.2
84.37122	0.2
85.02969	0.3
89.02431	0.2
100.22287	0.2
101.02456	1.0
113.02495	0.2
180.99400	0.2
221.10364	1.3
280.20731	0.2
294.53110	0.2
353.14545	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.3
61.59426	0.1
64.34602	0.2
72.99310	0.9
73.02945	2.1
75.97123	0.2
78.50464	0.1
91.17736	0.2
99.00892	0.3
99.92583	4.3
100.93356	6.5
102.63700	0.2
115.92075	100.0
116.92088	1.0
116.92843	5.8
117.92478	0.2
132.92363	1.0
144.47446	0.2
172.95459	2.3
255.23386	0.8
259.95944	0.2
355.15985	0.3
371.15598	0.2
381.17465	1.0
411.18207	0.3
416.66797	0.2
429.19574	5.2
430.19531	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37088	0.2
51.81401	0.2
55.01881	0.3
58.00608	0.4
59.01389	100.0
60.89032	0.2
61.98866	0.5
71.00993	0.4
71.01383	11.1
71.01752	0.5
73.02960	0.6
76.57599	0.3
83.01408	0.3
85.02963	2.2
87.00875	3.5
89.02440	12.1
89.02958	0.5
91.37153	0.3
95.01395	0.4
99.00879	0.3
101.02437	4.8
103.26094	0.3
109.24368	0.3
113.02434	4.6
113.03017	0.3
119.03498	4.9
121.83923	0.3
131.03557	0.4
134.49283	0.3
137.09744	2.6
143.03487	0.9
153.74265	0.3
160.32651	0.3
161.04599	1.9
179.05629	3.8
219.89207	0.3
393.21344	0.4
429.21506	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95560	0.2
53.12041	0.2
55.01880	0.2
58.00591	0.2
59.01394	100.0
60.01725	0.2
62.31014	0.2
62.68552	0.2
66.46725	0.2
68.12983	0.2
71.01391	9.5
72.99347	0.3
73.02977	0.3
76.57436	0.2
83.01419	0.5
85.02988	2.1
87.00898	1.0
89.02450	12.5
95.01391	0.4
98.03313	0.2
99.00898	0.2
101.02439	4.9
113.02449	4.4
119.03498	4.4
131.03488	0.4
137.09729	3.7
143.03542	1.0
149.04633	0.5
161.04585	1.5
179.05620	4.4
179.07053	0.4
188.30075	0.2
222.08452	0.2
272.35483	0.2
381.00455	0.3
429.21713	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26228	0.8
55.44189	0.7
58.41660	0.9
59.01386	6.9
60.45119	0.9
61.98816	1.3
71.01381	8.2
73.02666	0.7
73.02944	12.5
85.02933	4.2
87.86231	0.9
89.02448	2.3
101.02431	40.6
113.02435	5.6
116.92892	1.0
131.03458	1.3
145.76595	1.0
147.48149	1.0
161.04559	9.2
249.23613	1.3
267.23322	100.0
268.23608	4.1
274.08905	1.0
339.99606	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02759	0.7
53.07241	0.8
58.93996	0.9
59.01396	100.0
61.98846	1.6
78.95896	6.1
96.96941	0.9
121.85915	0.8
188.87221	0.8
369.21832	1.2
378.41159	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82794	0.3
59.01391	0.9
72.99297	0.7
73.02930	0.6
75.00871	100.0
82.05417	0.3
110.92976	0.4
135.72238	0.4
147.56908	0.4
248.41066	0.4
436.87878	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97191	0.6
59.01382	1.0
67.99346	0.6
73.02917	0.9
74.36725	0.6
75.00873	100.0
79.94658	0.7
98.12901	0.7
104.15792	0.9
172.29404	1.0
174.08888	0.7
178.84512	0.8
179.34317	0.7
256.02988	0.9
277.21927	0.9
314.44473	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3013
Annotation	Homaxisterol B1
Peak:m/z	Relative Intensity
51.18699	0.9
52.44059	0.9
53.60250	1.0
54.27929	1.0
54.53962	1.1
54.73200	0.9
55.01884	4.7
59.01383	2.3
60.28178	1.1
61.98811	2.2
64.34230	1.2
67.01892	2.9
69.03474	1.2
75.00874	46.2
81.03458	1.3
83.05022	15.2
97.06576	5.8
107.05028	8.4
111.04513	5.9
111.08092	1.6
116.92889	2.5
121.06598	14.8
123.08179	19.2
124.79793	1.2
125.02396	2.3
125.06097	9.8
126.03219	12.4
129.71161	1.1
134.03792	1.1
135.38278	1.2
137.06108	1.7
138.03239	4.4
139.04021	7.3
139.07649	7.5
149.06116	8.7
151.04060	1.8
152.04805	22.6
161.23311	1.2
165.05621	2.5
166.06302	9.7
167.07143	12.6
170.05847	1.8
181.08626	11.7
299.89328	1.3
310.80194	1.2
385.31262	1.4
390.28043	1.2
401.30814	8.9
411.28665	4.0
429.30151	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	429.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14817	0.5
59.01388	100.0
61.98853	0.7
95.62628	0.7
150.34032	0.6
166.86865	0.7
316.67896	0.8
322.48544	0.6
438.23425	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.5
61.98835	100.0
71.01403	0.8
76.05687	0.2
85.02979	0.2
101.02457	0.3
127.68550	0.2
183.12395	0.2
237.12436	0.3
369.16620	1.7
370.16946	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13498	0.2
54.82998	0.3
59.01386	4.1
60.99313	16.1
71.01385	2.8
80.29401	0.2
87.00869	2.0
88.98801	100.0
89.02440	34.1
101.02423	0.6
106.13980	0.2
113.02451	1.0
115.00398	1.4
119.03515	1.2
133.01437	1.8
143.03632	0.3
179.05594	1.3
322.78232	0.3
341.10889	6.3
342.11078	0.3
356.01080	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.12
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
50.18483	1.1
54.27480	1.0
57.03460	80.8
59.01387	68.2
59.01685	2.1
60.99316	1.4
61.98836	12.7
69.03462	4.9
71.01389	21.8
73.02950	17.7
75.00830	1.4
79.34792	1.1
80.24104	1.2
80.66303	1.1
82.95427	2.2
83.01373	2.0
85.02954	10.5
87.00873	7.7
88.98806	16.7
89.02442	14.8
96.96005	8.1
97.02943	23.6
99.04515	31.1
101.02435	33.3
103.04007	8.4
106.70813	1.4
115.04040	2.6
119.03513	5.2
123.04500	1.7
125.02441	100.0
126.02785	1.7
131.03499	5.2
134.03732	2.3
136.05299	1.7
137.02361	1.8
143.03494	5.8
145.05043	1.5
151.04047	1.5
151.07629	1.4
161.04607	2.8
163.06143	27.1
167.46104	1.3
182.87744	1.1
193.05038	6.8
195.06613	17.5
200.51111	1.3
205.07211	9.3
209.08293	1.3
265.09427	1.8
291.16595	1.4
293.08682	1.7
431.15942	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	431.1562
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
54.82224	1.0
55.01887	1.4
57.03450	4.3
58.00593	2.5
59.01393	100.0
60.99306	4.5
61.98549	1.8
61.98843	42.8
66.94923	0.8
68.54888	1.0
71.01389	64.5
72.00886	1.5
72.99316	1.8
73.02953	22.8
83.01395	2.4
85.02961	11.1
86.02477	11.5
87.00872	1.3
88.98812	16.5
89.02445	96.7
92.05050	10.6
93.03441	4.5
95.01403	1.3
96.96001	2.2
97.02942	1.9
98.03310	1.0
99.00878	36.4
101.02441	33.2
109.02968	1.0
113.02445	12.8
116.05037	15.3
119.03505	14.9
119.05017	31.2
123.04547	1.0
125.02439	9.4
126.82376	1.1
131.03497	9.0
137.02457	9.1
137.06122	2.3
142.06589	4.2
143.03491	1.3
149.04565	21.2
161.04634	1.2
171.09279	13.1
181.08804	1.2
187.25436	1.2
191.05585	10.6
215.08287	28.7
254.97809	1.1
289.07156	5.2
299.11423	5.0
311.05389	1.5
317.22763	1.2
383.40894	1.2
431.15610	98.0
432.16025	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	431.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74066	0.7
57.03194	1.2
57.03458	32.9
58.00584	2.0
59.01385	100.0
61.98823	1.4
69.03430	2.2
69.93093	0.8
71.01382	27.9
71.76994	0.9
72.99302	4.1
73.02946	38.1
73.28876	0.8
75.00846	1.0
83.01369	2.0
85.02949	13.6
86.00057	1.2
87.00882	10.5
87.04499	5.3
88.98792	5.3
89.02436	26.5
92.20743	0.9
96.96001	2.3
97.02950	7.1
99.00832	1.3
99.04509	11.7
101.02438	49.4
103.04003	21.5
109.14230	1.0
113.02477	3.2
115.03985	5.9
119.03481	8.3
125.01540	1.7
125.02440	40.4
131.03482	12.4
143.03506	10.5
145.05049	7.3
161.04538	1.4
163.06129	65.0
183.03033	1.0
193.05121	1.3
195.06624	1.4
202.05348	0.9
205.07175	19.2
265.09348	6.0
293.08838	0.9
431.15353	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	431.2207
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
59.41991	0.2
62.45596	0.2
65.53101	0.2
78.28461	0.2
78.95904	63.8
95.04805	0.2
96.96959	7.9
101.34254	0.2
123.38164	0.2
133.22308	0.2
149.03259	0.2
150.98039	2.4
151.90355	0.2
152.99588	100.0
155.47490	0.2
167.58266	0.2
171.00642	3.5
246.54233	0.2
267.28320	0.2
277.21677	0.5
303.08011	0.3
310.40054	0.3
375.08395	0.2
414.38138	0.3
431.22067	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	431.2206
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
67.55429	0.2
74.34122	0.2
75.08864	0.3
78.95907	84.0
92.12428	0.4
96.96963	6.5
121.06205	0.3
137.29079	0.2
138.39082	0.3
147.35530	0.3
150.98038	2.0
152.99588	100.0
168.10240	0.3
171.00641	2.4
182.51500	0.3
182.75098	0.2
264.08243	0.3
277.21674	1.8
431.22101	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	431.2205
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
54.65259	0.2
69.15443	0.2
77.75607	0.2
78.95899	60.2
82.81409	0.3
96.96960	8.0
105.19022	0.3
150.29825	0.2
150.97977	1.9
152.99585	100.0
171.00635	3.5
277.21753	1.2
431.22003	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	431.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
57.03439	0.5
58.00635	0.3
59.01387	100.0
60.99323	0.4
61.98834	2.8
71.01385	7.6
73.02934	2.4
82.90938	0.3
83.01403	0.8
85.02941	3.3
87.00877	0.4
88.77779	0.3
88.98808	3.7
89.02443	6.9
95.01380	0.4
99.00896	0.5
101.02444	6.1
113.02428	3.8
115.67565	0.3
119.03520	1.7
124.03250	0.3
129.89793	0.3
143.03537	0.4
145.83633	0.4
159.02998	0.4
161.04565	4.4
179.05656	1.5
203.28352	0.4
219.02982	0.4
233.04698	0.6
242.98817	0.4
262.07718	0.4
353.19711	8.2
371.20828	7.6
371.25275	0.4
372.75937	0.4
431.23166	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	431.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43452	0.7
52.50702	0.7
59.01388	100.0
61.98820	0.7
62.78101	0.6
65.90349	0.6
70.99380	0.6
78.95892	8.5
86.16441	0.6
86.59519	0.7
89.02467	0.8
92.12322	1.0
96.36484	0.7
116.92879	1.4
152.99609	10.3
251.23874	1.7
297.24350	7.5
407.46252	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44130	0.6
59.01390	100.0
61.98835	1.0
64.34161	0.7
78.95918	10.0
96.96972	3.1
110.95573	0.7
152.99596	14.8
184.40210	0.7
205.52342	0.9
297.24429	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.9
61.98836	100.0
67.23158	0.2
70.09541	0.2
71.01385	0.3
72.09811	0.2
78.37171	0.3
82.95419	0.4
83.86349	0.2
88.23915	0.2
88.98811	0.6
89.02444	0.5
89.93698	0.3
90.56824	0.2
97.25053	0.3
130.05849	0.2
180.77412	0.3
308.69971	0.3
396.19971	0.4
432.17819	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.3
59.21546	0.3
72.07349	0.3
77.30680	0.4
78.03496	1.9
78.95889	0.7
81.11985	0.3
83.01395	1.5
86.12430	0.3
112.02274	54.8
120.08263	0.3
128.21834	0.4
142.03322	100.0
143.03607	0.6
159.03011	1.7
186.02309	12.3
353.03214	0.4
382.00156	0.4
433.43665	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1356
Annotation	Rhyncoside A
Peak:m/z	Relative Intensity
54.82854	1.3
55.01868	3.6
57.03457	1.5
58.00591	2.0
59.01386	100.0
69.03455	12.6
70.29069	1.8
71.00983	3.5
71.01382	94.4
72.99300	9.5
73.02953	17.2
73.07046	1.5
75.00857	2.7
78.61517	1.5
78.95905	18.9
81.03462	7.5
83.01392	7.9
85.02963	14.0
89.02439	89.6
95.01331	2.9
95.34740	1.5
96.96984	2.0
97.02939	18.1
99.00883	21.1
99.04508	2.3
101.02439	16.7
111.00872	2.5
113.02423	9.4
115.04009	16.3
123.00899	21.7
124.01661	56.4
125.02444	56.7
131.03467	9.4
138.03201	2.3
139.04007	19.1
143.03508	2.6
149.04533	9.2
188.78960	1.8
191.05638	9.4
232.64836	1.7
233.06645	30.7
293.08783	43.8
419.46619	1.7
421.73358	1.8
433.13019	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	433.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88736	0.7
54.82080	0.7
57.14387	0.7
58.28612	0.7
59.01384	8.4
61.98829	7.9
67.64291	0.7
71.01365	4.8
72.99298	3.3
82.95399	3.1
85.02982	1.4
86.10305	0.7
86.88872	0.7
88.98794	1.6
89.02453	1.5
95.01383	6.8
96.96007	7.7
98.00668	0.8
99.23592	0.7
101.02431	1.0
109.02964	0.8
110.22260	0.7
113.02491	0.9
120.99647	0.8
123.00863	42.1
128.03532	1.1
130.08754	6.2
137.02402	4.0
138.03218	34.0
143.03545	1.1
149.97276	0.8
153.05576	15.0
155.03503	1.2
161.04510	2.0
164.13248	0.8
166.99841	33.2
172.09775	4.2
181.48529	0.8
182.02205	96.7
195.06636	1.0
197.04556	100.0
198.04822	1.6
373.15002	1.2
427.70947	0.9
433.13504	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	433.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50780	0.8
54.16839	0.9
58.61488	0.8
59.01388	50.7
61.98824	1.5
71.01376	7.4
72.99300	1.7
74.02458	1.2
76.47567	1.0
82.95422	14.6
85.02904	1.7
89.02415	4.3
95.01390	1.0
96.96006	5.9
101.02425	5.0
109.02914	1.6
125.02486	1.9
136.01678	2.2
137.02443	9.9
139.00391	4.4
143.85371	1.1
149.02461	1.6
151.04036	10.1
153.01918	12.4
154.02658	1.2
164.01172	10.4
165.01932	31.4
166.02679	4.1
167.03488	2.0
168.04286	2.0
169.01445	4.7
169.04956	1.5
179.03496	16.7
180.04250	1.2
181.01431	39.0
181.05028	5.4
182.02216	100.0
184.03825	1.6
190.05238	1.0
195.03015	1.3
195.06601	2.0
196.03804	12.2
196.07260	2.3
197.00923	2.2
197.04573	66.0
198.05237	1.2
208.00177	2.2
209.00996	1.5
211.06116	15.6
211.09854	2.0
212.06908	6.8
213.04013	1.4
223.02480	4.6
225.00400	8.8
238.04790	1.9
240.02882	2.4
241.03563	81.8
253.07220	2.2
255.05128	18.2
256.03204	1.7
256.05905	73.3
271.08252	83.9
327.07285	4.3
344.07440	2.1
344.11609	1.0
359.09836	1.6
371.06229	9.0
403.08847	15.0
418.11227	30.1
432.15393	4.2
433.13400	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58009	2.1
57.03444	2.3
58.37783	1.8
59.01110	3.0
59.01385	57.2
65.53873	2.1
69.16655	1.9
71.01377	26.8
72.99294	9.7
73.02930	5.1
82.51553	2.1
83.01408	3.0
85.02947	8.8
89.02422	24.6
95.01420	2.5
96.96004	11.4
98.72434	2.0
99.00861	2.1
101.02437	23.9
113.02428	13.2
119.03466	3.7
119.05021	5.3
125.02464	2.6
138.06865	9.6
153.09230	19.2
156.96028	2.8
161.04568	14.7
180.65561	2.2
200.01680	2.5
207.13885	3.2
225.12903	4.0
225.14967	41.6
264.97131	2.6
264.99725	2.7
269.12946	4.1
288.36853	2.3
313.07138	9.7
343.08307	3.4
387.20273	100.0
433.20673	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	433.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58009	2.1
57.03444	2.3
58.37783	1.8
59.01110	3.0
59.01385	57.2
65.53873	2.1
69.16655	1.9
71.01377	26.8
72.99294	9.7
73.02930	5.1
82.51553	2.1
83.01408	3.0
85.02947	8.8
89.02422	24.6
95.01420	2.5
96.96004	11.4
98.72434	2.0
99.00861	2.1
101.02437	23.9
113.02428	13.2
119.03466	3.7
119.05021	5.3
125.02464	2.6
138.06865	9.6
153.09230	19.2
156.96028	2.8
161.04568	14.7
180.65561	2.2
200.01680	2.5
207.13885	3.2
225.12903	4.0
225.14967	41.6
264.97131	2.6
264.99725	2.7
269.12946	4.1
288.36853	2.3
313.07138	9.7
343.08307	3.4
387.20273	100.0
433.20673	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	433.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10064	0.2
67.62292	0.2
78.95903	80.2
96.96965	7.0
140.52052	0.2
150.98067	2.0
152.99594	100.0
171.00681	2.2
173.26396	0.2
221.66537	0.3
256.33292	0.3
279.23288	1.6
377.58929	0.2
433.23651	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66463	0.2
54.82375	0.2
61.31239	0.2
65.22985	0.2
78.95901	64.6
93.93544	0.2
96.96959	7.9
108.56979	0.2
150.98041	2.4
152.99590	100.0
153.99934	0.4
171.00624	3.6
279.23215	1.2
433.23581	8.1
449.06064	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44622	0.2
54.61518	0.2
69.69641	0.2
78.95905	59.9
91.59675	0.2
96.96959	7.0
130.58414	0.2
150.98018	2.5
152.99585	100.0
171.00661	3.6
183.07712	0.2
225.68466	0.2
237.87999	0.2
279.23221	1.6
366.35907	0.2
433.23581	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	433.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56635	0.2
52.47565	0.2
53.58394	0.2
55.01878	0.5
57.03454	0.4
59.01388	100.0
61.90261	0.2
61.98834	2.1
63.65910	0.2
64.37307	0.2
71.01383	7.9
71.01756	0.3
72.99306	0.3
73.02947	2.8
83.01399	1.4
84.95126	0.3
85.02960	4.6
89.02460	1.8
92.12384	0.4
95.01390	0.5
99.00885	1.0
101.02441	6.5
107.44729	0.2
113.02441	2.9
115.24731	0.2
119.03528	0.3
130.24706	0.3
133.61517	0.3
143.03484	0.3
159.03032	0.5
161.04579	4.6
190.95181	0.3
307.36514	0.2
365.44257	0.3
373.22388	16.9
378.83041	0.3
387.71780	0.3
393.37735	0.3
417.21771	0.3
433.24777	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54820	1.3
58.00597	1.9
59.01387	100.0
61.19262	1.5
61.98842	1.8
63.92884	1.2
71.00984	3.7
71.01380	85.8
72.99300	2.7
73.02946	2.1
73.34100	1.4
75.00882	2.4
78.95901	33.7
82.55398	1.6
83.01395	2.2
85.02961	7.2
85.64362	1.5
87.00893	2.4
89.01879	2.7
89.02440	85.8
96.96955	2.5
101.02427	21.2
105.10915	1.7
113.02441	15.6
119.03520	9.5
121.45799	1.5
143.03531	2.8
152.99597	39.4
161.04588	7.1
179.05615	16.5
202.84077	1.6
231.84872	1.9
253.21736	37.6
292.67944	1.9
335.22119	6.3
387.62482	1.7
433.23801	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27350	0.3
56.14204	0.3
59.01378	0.7
72.99306	1.3
74.12399	0.3
75.00871	100.0
78.95914	1.5
93.00943	0.6
113.88889	0.3
120.48683	0.3
152.99620	1.4
269.24979	0.6
320.97000	0.3
329.91656	0.4
433.33582	0.6
457.01379	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68097	0.1
52.05706	0.1
53.03641	0.1
56.11541	0.1
59.01395	1.1
60.01721	0.1
60.31085	0.1
61.01797	0.1
61.98835	100.0
68.29215	0.1
70.79239	0.1
71.01386	0.2
74.32600	0.1
97.52077	0.1
118.16457	0.1
133.45840	0.1
192.26733	0.1
223.92285	0.1
253.81555	0.1
270.29370	0.2
274.53418	0.1
294.74661	0.1
312.38223	0.1
347.94269	0.2
374.22214	0.1
403.07227	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1304
Annotation	Trilobatin
Peak:m/z	Relative Intensity
57.03452	2.5
57.86260	0.5
59.01387	15.4
60.01718	0.7
60.82585	0.6
61.98838	12.1
65.00346	0.9
71.01385	2.5
72.99332	0.7
75.23829	0.6
78.95904	1.1
81.03457	16.9
83.01384	6.5
85.02961	1.1
89.02448	0.9
92.92802	1.5
93.03442	7.8
95.01373	0.6
95.05034	1.1
101.02431	0.6
105.32427	0.7
107.01429	1.3
119.05025	13.4
123.04523	45.2
125.02443	19.5
133.46843	0.6
135.04559	2.5
147.04570	1.0
148.89256	0.6
149.02470	3.2
151.00371	4.7
152.99612	2.8
163.55887	0.6
167.03500	95.3
179.03525	11.3
189.05614	3.0
191.03542	1.0
229.08678	1.0
242.00038	0.6
273.07724	100.0
274.08197	0.9
314.53485	0.6
374.19254	0.8
375.27390	2.5
435.12766	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1302
Annotation	Pterosupin
Peak:m/z	Relative Intensity
50.49187	0.4
54.41208	0.5
57.03447	1.0
59.01390	6.6
59.48450	0.4
61.98829	2.2
68.99805	1.0
69.03448	1.1
71.01366	1.2
72.17810	0.4
73.02954	0.6
81.03453	15.9
83.01377	5.1
85.02940	0.8
88.81352	0.4
89.02442	1.1
93.03438	8.8
94.88066	0.5
95.01386	1.0
95.04455	0.9
95.05020	15.0
97.02933	6.6
99.04523	8.6
105.03458	0.6
107.05012	1.0
108.02153	0.5
109.02940	1.2
119.05029	9.8
121.02987	0.8
122.03724	2.1
123.04514	23.7
125.02440	27.9
135.04524	2.5
137.02444	5.1
137.06078	17.5
137.09711	0.8
139.04039	4.1
141.05579	0.9
147.04533	2.4
149.06110	1.1
151.04054	2.4
155.03519	1.1
155.10745	4.9
163.07726	0.6
165.05540	8.7
166.02626	0.5
167.03491	60.1
179.03508	12.0
181.05138	3.7
189.05606	8.8
191.03430	0.9
193.05107	2.1
197.04614	4.5
199.09755	0.7
209.04573	17.9
221.04555	3.6
230.77335	0.6
239.05730	0.9
264.58444	0.5
273.07730	10.7
285.07684	3.4
315.08798	100.0
316.09113	1.8
327.08829	1.1
345.09854	26.1
345.14069	0.9
357.09802	0.9
417.11801	2.1
435.12967	3.3
435.18835	3.2
457.14841	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80851	0.2
61.56381	0.3
78.95901	63.4
93.90715	0.2
96.96951	7.9
150.98013	2.7
152.99583	100.0
171.00624	3.0
281.24875	2.1
377.50629	0.2
405.20166	0.2
435.25229	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	435.252
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96420	0.2
78.95900	56.1
96.96957	7.9
134.87045	0.2
148.86549	0.2
150.98000	2.5
151.22192	0.2
152.25815	0.2
152.99588	100.0
171.00629	3.3
199.60846	0.2
281.24808	1.8
290.02127	0.2
435.19733	0.4
435.25235	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	435.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95977	0.4
54.83051	0.5
59.01386	100.0
59.96564	0.4
61.07012	0.4
61.98545	0.4
61.98826	3.6
71.01375	4.2
74.41570	0.5
78.95907	0.8
79.48542	0.5
83.01363	0.6
85.02963	2.7
89.02458	0.8
92.92811	2.4
101.02396	4.0
111.01968	3.3
113.02496	1.7
128.97037	0.6
129.13957	0.5
130.08778	0.9
152.99673	0.6
161.04604	2.3
176.10817	1.7
183.40430	0.4
219.11479	0.6
233.04610	0.6
332.12531	1.9
372.21530	1.1
375.23834	9.6
392.12869	0.5
402.13666	0.5
419.23080	0.7
435.26334	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	436.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99470	0.1
55.37187	0.1
59.01392	1.0
60.01726	0.1
60.20972	0.1
61.98837	100.0
63.97056	0.1
64.01254	0.1
78.79266	0.1
84.44334	0.1
104.03752	0.1
158.26587	0.2
168.45691	0.2
216.00702	0.1
222.82712	0.1
233.07185	0.1
240.98824	0.1
296.71472	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	436.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20859	0.6
59.01386	100.0
61.98835	7.4
64.79250	0.6
67.68043	0.6
78.95893	3.8
82.95422	1.2
94.92521	0.9
103.42838	0.7
109.33165	0.7
139.42096	0.7
152.99576	3.3
166.01283	0.7
190.13719	0.7
195.93166	0.7
295.77182	0.7
297.07425	0.9
322.45721	0.9
376.45087	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44459	0.2
54.81891	0.2
62.91248	0.2
78.95899	44.1
79.19410	0.2
79.95728	1.3
82.95400	0.2
88.04024	1.1
92.12423	0.2
96.96008	100.0
96.96951	83.5
132.29494	0.2
146.08287	0.4
146.92494	0.2
162.09665	0.2
176.72078	0.2
177.96428	0.2
187.06725	0.3
218.10352	0.5
231.52124	0.2
272.83224	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1588
Annotation	Ugonin N
Peak:m/z	Relative Intensity
55.64171	2.3
59.01385	25.8
61.98842	14.1
66.21745	2.8
68.86520	2.1
71.01387	13.6
82.95423	3.9
87.00896	3.9
88.98827	3.5
89.02445	10.0
101.02459	4.7
113.02444	3.5
115.57978	2.4
118.01088	2.8
130.08794	2.8
142.70906	2.5
151.07646	4.6
161.04620	3.9
163.07681	4.2
165.01924	2.9
165.05661	3.2
179.05652	3.1
180.56856	2.6
203.10762	22.1
221.11859	45.2
283.44028	2.8
372.01694	2.8
377.17896	2.7
383.17038	3.2
401.18524	6.2
437.15857	100.0
437.21503	4.2
438.15149	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	437.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99313	0.1
54.82505	0.1
59.01392	1.5
59.04764	0.1
60.01719	0.1
61.02651	0.1
61.98841	100.0
72.32891	0.1
76.25494	0.1
77.11137	0.1
78.95911	0.3
80.96546	0.2
91.31029	0.2
92.11785	0.2
101.12245	0.1
105.69142	0.1
112.01836	0.1
152.99641	0.2
252.62592	0.2
371.28323	0.2
375.25052	0.2
376.25330	0.8
377.25739	0.6
385.00098	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13298	0.1
54.83117	0.1
59.01386	1.5
60.01723	0.2
61.98836	100.0
73.46933	0.1
78.95921	0.3
80.00880	0.1
82.02993	0.2
94.80594	0.1
96.00922	0.4
96.96009	4.1
96.96969	0.4
100.05934	0.2
109.04086	1.5
110.02490	0.4
111.02011	0.3
113.07201	0.3
127.05125	4.0
128.05550	0.3
139.05171	0.3
141.48390	0.2
146.06163	0.7
154.80542	0.2
164.66583	0.2
180.06715	0.9
243.11629	0.2
266.12000	1.0
299.02774	0.2
315.77399	0.2
343.11990	0.9
424.18787	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81155	0.3
59.34670	0.2
63.11242	0.3
70.16176	0.3
78.95911	52.4
92.11728	0.3
96.96004	29.2
96.96955	100.0
103.47588	0.3
111.01441	0.3
117.62656	0.3
120.65115	0.2
133.01462	0.5
141.20113	0.3
142.31871	0.2
176.23856	0.3
341.10959	0.4
439.08752	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	439.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09161	0.2
54.82374	0.3
58.80413	0.2
59.01388	3.4
61.57325	0.2
63.23201	0.2
64.50210	0.2
71.01383	12.8
72.99310	1.5
73.02930	0.3
78.95904	10.1
79.95741	1.3
82.95422	0.6
83.71786	0.2
84.95116	10.1
85.02935	0.3
88.04032	0.4
89.02450	3.9
91.46598	0.3
96.96004	100.0
96.96928	21.3
98.03318	0.2
101.02428	0.5
113.02454	0.5
115.00365	25.8
125.02454	1.0
131.03522	0.3
132.03050	0.6
133.01424	40.1
149.04572	0.6
182.05917	0.3
191.27551	0.3
293.08832	1.2
310.70038	0.3
313.14404	0.3
378.14236	0.6
379.14575	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46025	0.4
57.03440	0.7
59.01387	5.6
61.98824	2.2
62.31063	0.4
70.83465	0.4
71.01379	3.9
73.02922	0.8
78.95892	1.1
85.02958	0.8
89.02428	2.4
91.40339	0.4
92.24325	0.5
96.96000	34.4
96.96914	4.4
101.02429	1.8
113.02446	2.0
119.03466	0.9
119.05028	0.7
123.04503	0.5
123.19179	0.4
125.02439	2.8
135.53505	0.4
139.00363	0.7
139.03993	2.4
149.02492	0.6
150.03192	0.7
151.03995	2.4
154.02701	0.6
161.04515	0.6
166.02707	1.8
167.03487	100.0
168.04153	0.9
179.05568	0.7
180.04314	1.1
181.05096	2.6
182.05850	33.1
183.09573	0.6
195.03027	0.7
207.02992	2.3
208.03787	2.7
215.10783	0.7
223.06110	2.4
223.95470	0.4
226.04842	75.9
241.07190	85.2
276.29831	0.6
385.18610	1.0
403.12460	29.2
403.20425	0.8
439.17148	4.4
439.22528	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
59.01144	0.9
59.01388	12.1
61.58733	0.6
61.98836	5.5
64.44562	0.5
71.01386	10.5
73.02947	5.3
78.61515	0.6
78.95897	1.3
82.02989	2.7
82.36523	0.6
83.01372	1.4
84.95120	16.5
85.02941	3.7
89.02434	3.3
90.04955	0.7
92.11839	1.1
93.03429	3.6
96.96008	39.3
96.96940	4.9
99.00843	1.1
100.86037	0.7
101.02445	9.3
109.02950	1.2
113.02412	3.7
119.05010	0.9
121.02981	5.5
122.03735	11.3
123.04536	1.0
125.02437	1.0
133.02934	0.9
137.02449	10.1
138.03165	1.0
149.02451	38.5
149.04736	0.9
150.03232	95.0
151.03975	1.7
153.05609	1.1
161.04509	3.2
163.04079	0.9
164.04813	9.0
165.00534	1.2
165.01933	44.0
165.05569	68.0
165.06688	3.1
166.02666	3.1
166.07057	1.3
167.03510	6.5
174.02306	1.7
175.02614	0.8
179.03630	0.8
180.04288	34.9
181.04997	4.1
182.05745	0.8
192.71611	0.7
195.06641	100.0
225.04056	1.6
226.04832	3.3
241.07236	3.4
243.08711	4.7
247.11884	10.1
257.05988	3.7
258.06241	3.4
268.22009	0.8
301.07257	3.2
315.09122	0.8
316.09390	1.6
331.11871	10.5
379.16122	27.2
379.20709	1.3
391.13995	18.7
403.12527	5.6
439.17575	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	439.1745
Annotation	Sophoraflavanone D
Peak:m/z	Relative Intensity
50.39553	1.3
54.82891	1.4
58.31864	1.4
59.01381	12.9
59.82564	1.4
61.47579	1.2
61.98827	10.6
71.01385	2.9
73.02960	1.8
78.95887	8.5
82.95393	3.7
84.95110	44.3
85.02935	3.3
85.38266	1.5
88.98769	1.9
89.02446	3.7
96.95995	100.0
96.96915	13.7
103.52793	1.5
119.04941	1.8
125.02431	1.7
130.08717	1.8
143.11909	2.0
148.93462	1.5
149.02368	2.3
150.03226	3.9
151.03979	1.7
165.01849	2.3
165.05568	3.3
177.01964	2.7
180.04303	1.7
181.30467	1.5
195.06592	7.0
199.20055	1.5
226.73817	1.6
229.12012	1.8
244.08990	1.8
259.15601	2.4
379.16025	1.7
439.17374	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1745
Annotation	Sophoraflavanone D
Peak:m/z	Relative Intensity
50.39553	1.3
54.82891	1.4
58.31864	1.4
59.01381	12.9
59.82564	1.4
61.47579	1.2
61.98827	10.6
71.01385	2.9
73.02960	1.8
78.95887	8.5
82.95393	3.7
84.95110	44.3
85.02935	3.3
85.38266	1.5
88.98769	1.9
89.02446	3.7
96.95995	100.0
96.96915	13.7
103.52793	1.5
119.04941	1.8
125.02431	1.7
130.08717	1.8
143.11909	2.0
148.93462	1.5
149.02368	2.3
150.03226	3.9
151.03979	1.7
165.01849	2.3
165.05568	3.3
177.01964	2.7
180.04303	1.7
181.30467	1.5
195.06592	7.0
199.20055	1.5
226.73817	1.6
229.12012	1.8
244.08990	1.8
259.15601	2.4
379.16025	1.7
439.17374	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1745
Annotation	Globuliferin
Peak:m/z	Relative Intensity
51.97745	0.7
59.01384	5.5
66.37471	0.7
71.01369	4.0
89.02429	5.2
92.11710	1.6
96.96004	19.0
96.96930	1.2
101.02432	1.2
110.95193	0.9
119.03454	1.0
121.21370	0.7
150.43617	0.8
151.49319	0.9
179.10730	0.8
232.46030	0.8
241.14442	5.0
343.62827	0.8
374.47696	0.8
379.15970	0.9
390.32486	0.9
397.85190	1.0
403.19815	21.6
439.17459	100.0
440.17587	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	439.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40718	0.5
51.07540	0.4
53.88905	0.4
53.94650	0.4
55.01883	2.8
56.83639	0.5
57.03455	2.1
59.01383	26.7
59.56540	0.6
61.98824	1.1
65.31274	0.4
69.03429	0.6
71.01384	46.1
71.58176	0.6
73.02949	19.3
75.00873	1.0
78.95892	3.5
79.95772	0.7
83.01382	5.5
85.02953	19.0
87.00881	2.2
89.02443	18.1
92.11819	0.9
95.01379	3.3
96.96006	42.6
96.96924	4.9
97.02957	2.3
99.00881	9.6
101.02437	30.7
109.02928	2.4
111.00914	0.5
113.02446	18.7
113.92561	0.5
115.04003	0.9
119.03488	3.0
119.05037	0.6
119.94012	0.6
122.03718	1.1
123.69491	0.6
125.02424	3.7
129.01944	0.6
131.03500	2.3
133.82310	0.5
134.04698	0.6
137.02419	2.0
143.03511	2.1
149.02448	4.2
149.04501	1.0
150.03217	11.0
153.05588	0.8
159.02985	4.1
161.04543	21.2
165.01929	7.2
165.05580	10.0
166.02695	3.5
167.03470	7.8
180.04318	4.8
181.05075	3.5
182.05901	2.2
189.08345	0.6
192.52657	0.6
195.06635	13.6
225.04027	1.2
226.04768	4.4
232.22696	0.5
234.02119	0.6
241.07170	3.2
247.11880	19.0
329.08994	0.8
331.12177	0.8
336.28998	0.6
379.16107	100.0
380.16614	1.3
388.09641	0.7
391.14120	0.9
403.12363	6.0
439.17493	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	439.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82563	0.3
55.01873	1.4
57.03447	0.7
58.00586	0.4
59.01387	20.0
59.01688	0.7
61.98834	4.2
70.96104	0.3
71.01383	11.6
72.06086	0.3
72.99306	0.7
73.02957	3.0
74.99102	0.3
78.55026	0.3
78.95905	1.3
79.05510	0.4
83.01390	2.4
83.86340	0.3
85.02939	4.9
86.00088	0.3
87.00899	0.4
89.02439	5.2
91.30757	0.3
91.58479	0.3
95.01390	0.7
96.96003	18.8
96.96906	2.7
97.06579	0.4
99.00879	1.3
99.04443	0.3
101.02438	6.8
107.65952	0.3
111.08144	1.4
113.02441	3.6
119.03476	1.5
121.06580	0.3
139.07629	1.5
147.04588	0.3
148.03989	0.3
171.38058	0.4
184.66528	0.4
215.14499	0.6
233.15538	1.4
259.13342	0.7
277.14362	4.5
403.13876	0.7
439.19772	100.0
440.20123	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.2
55.69529	0.2
57.03448	2.9
59.01388	18.0
59.01690	0.7
61.98821	1.4
66.88445	0.2
67.22215	0.2
71.01385	10.7
72.99312	0.3
73.02956	2.4
78.21988	0.3
78.95866	0.5
83.01376	1.8
85.02945	5.5
89.02435	4.7
92.11768	0.4
95.01387	1.1
95.04947	0.3
96.95417	0.5
96.96006	9.5
96.96960	1.1
97.06582	5.3
99.00871	0.5
101.02438	6.3
103.66708	0.3
105.07088	1.1
113.02439	3.9
116.92853	1.5
119.03501	1.0
123.08142	1.3
145.06615	0.4
175.11288	1.0
215.14458	1.2
219.10292	2.4
233.15543	1.2
259.13373	0.6
264.83023	0.3
277.14481	13.2
439.19800	100.0
440.20114	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.8
61.98810	2.0
70.96566	1.5
70.98834	1.5
71.05013	2.1
73.02924	1.6
82.02979	12.8
84.04557	12.3
92.11794	2.9
96.96004	6.3
112.07682	100.0
152.10768	1.6
183.08098	6.6
185.08040	1.6
185.09682	9.7
192.95811	3.2
199.11282	14.0
203.75850	1.6
207.88080	1.5
217.00371	2.8
282.15002	1.7
284.16544	12.4
297.17389	10.4
318.01721	1.7
326.17673	18.5
344.18698	41.7
361.76666	1.8
395.23538	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39445	0.3
57.03447	0.4
57.79884	0.3
59.01388	7.3
61.98820	0.4
71.01376	9.2
73.02950	10.1
75.65926	0.3
83.01366	1.5
85.02959	7.3
89.02449	3.1
95.01376	1.6
97.02949	0.8
101.02438	36.1
111.15048	0.4
113.02452	6.0
127.07636	0.4
131.03525	3.3
160.30162	0.4
160.84233	1.9
161.04558	13.2
162.79996	0.4
162.83897	7.5
185.86920	0.4
247.76631	0.4
264.04941	0.4
277.21744	100.0
278.22092	2.1
292.87064	0.4
398.20535	0.4
440.05786	2.4
446.72495	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.178
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	2.1
59.01395	74.7
61.98829	3.8
68.15402	1.0
71.01388	50.2
72.18455	0.8
72.99335	1.6
73.02949	25.2
78.95892	5.8
85.02955	2.1
89.02444	100.0
96.96007	51.4
96.96913	6.5
97.02928	0.9
97.95924	1.5
98.02447	1.1
98.95591	4.2
99.00881	36.0
101.01770	1.2
101.02435	31.2
113.02471	3.2
114.38708	1.0
119.03463	1.5
123.17760	1.0
125.02444	8.6
128.96373	1.0
131.03517	10.5
131.04352	1.0
147.04610	0.9
149.04567	42.5
161.04576	1.5
164.07182	4.3
180.04781	1.1
184.18126	0.9
191.05638	13.8
193.18546	1.1
201.05319	0.9
221.06624	1.4
251.07785	1.9
259.78485	0.9
320.12692	3.5
324.60684	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
92.58995	0.6
99.04543	0.8
103.82211	0.7
111.73260	0.6
130.14249	0.6
134.77661	0.5
135.08150	3.4
137.06062	0.5
144.14236	0.6
149.06122	0.9
150.06833	5.1
151.07657	0.8
162.05479	1.4
162.06865	53.3
163.07655	56.7
164.08318	2.5
176.08432	12.6
177.09198	32.0
178.09651	0.8
192.07999	0.7
196.02301	0.6
220.11078	2.8
221.11746	1.0
239.26729	0.7
303.19601	1.0
307.98895	0.6
440.33023	100.0
441.33188	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	441.0832
Annotation	Biisofraxidin
Peak:m/z	Relative Intensity
51.26982	0.9
54.82246	1.2
59.01369	8.3
61.98826	7.2
62.02013	1.2
75.49472	1.1
82.12397	1.2
91.88570	1.2
92.12347	2.5
96.68903	1.2
96.96003	1.8
98.95576	1.6
101.02486	1.3
136.99344	1.3
145.60620	1.4
173.02477	1.4
178.99751	1.3
182.02234	2.1
185.02512	1.4
194.02231	2.4
197.04623	2.5
201.01968	5.4
206.02255	5.3
206.99435	4.8
213.01964	1.9
217.00182	1.8
218.16081	1.2
222.01729	19.0
225.01968	1.4
228.04274	10.3
229.01363	2.2
231.03049	5.0
241.01414	8.2
243.06580	4.7
245.00754	1.9
253.01387	2.7
255.03026	5.2
256.03751	11.0
268.03796	1.7
269.00894	2.5
271.06018	3.0
273.00424	1.7
281.01047	2.9
284.03278	2.9
289.07147	9.2
297.00369	19.8
312.02802	23.7
324.99854	4.5
327.05182	6.1
339.05280	1.4
340.02252	15.0
352.99478	1.7
355.04642	58.2
355.09174	1.8
368.01791	7.6
380.98764	1.4
383.04163	7.7
396.01245	24.8
411.03589	71.3
426.05972	72.3
441.08304	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	441.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59014	0.2
59.01389	0.2
59.72894	0.2
61.98837	100.0
71.01387	0.3
72.50414	0.2
75.28721	0.2
84.60099	0.2
88.98883	0.2
89.02472	0.3
96.96010	0.4
98.95583	0.9
100.01952	0.2
102.59623	0.2
151.89168	0.2
191.73283	0.2
328.48416	0.2
381.14407	0.3
410.47269	0.2
464.20685	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56593	0.3
55.01909	0.3
59.01383	3.9
60.45557	0.3
60.96980	0.3
61.98847	0.4
71.01383	3.3
73.02934	2.2
74.83350	0.4
83.01392	0.7
85.02959	1.7
87.00872	100.0
88.03988	0.4
88.85545	0.4
89.02422	0.3
92.11759	0.8
99.84861	0.4
101.02418	4.4
113.02438	0.9
135.63576	0.4
142.43486	0.4
161.04590	0.8
221.10289	5.4
259.68304	0.4
266.94171	0.4
353.14554	11.7
404.79773	0.4
457.57129	0.4
459.09589	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82825	2.7
59.01377	23.2
61.98836	100.0
71.01382	14.8
72.99309	3.8
78.95895	10.9
81.03464	3.2
82.75169	2.3
85.02942	4.7
85.03436	2.2
88.98801	3.7
89.02427	5.4
94.26534	2.6
95.01393	5.1
96.95999	59.9
96.96980	9.6
97.02879	2.6
98.95596	11.4
101.02453	4.6
121.02943	2.6
123.00864	4.4
123.04573	3.2
125.02446	10.3
134.03690	2.7
151.00377	12.4
151.04047	3.2
155.01768	3.2
161.53520	2.5
164.07150	3.0
166.02727	4.2
167.03517	25.4
173.81485	2.4
181.05074	5.4
182.05844	3.7
219.17628	2.3
226.04845	16.3
227.05247	3.3
241.07236	13.3
245.08365	2.7
279.23346	3.3
356.11398	2.9
365.95047	2.5
403.12451	15.3
405.17810	12.3
441.19275	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1895
Annotation	Exiguaflavanone M
Peak:m/z	Relative Intensity
55.94239	1.4
58.83986	1.3
59.01374	10.6
61.98831	13.0
63.43942	1.4
63.79996	1.2
71.01390	2.6
76.99398	1.5
77.23374	1.7
87.27355	1.7
88.98822	2.6
89.02422	6.6
89.88416	1.6
96.95999	13.3
98.95595	3.0
101.02406	2.6
105.14826	1.5
107.05048	1.7
113.02391	2.4
114.09229	1.7
116.07154	22.7
119.03490	2.3
125.36633	1.6
128.93033	1.7
176.07178	2.0
181.96387	1.8
215.10350	1.8
245.14397	1.9
321.14795	12.6
351.15485	3.2
351.68637	1.9
400.62003	1.6
405.16760	1.7
405.21439	16.5
441.18958	100.0
442.19321	3.6
462.85126	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	441.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	5.3
57.03456	3.7
59.01390	97.6
61.98835	8.1
62.79238	0.6
69.03489	0.9
71.01384	39.4
72.99305	1.3
73.02950	22.3
73.06129	0.6
73.06548	1.0
75.00887	0.9
82.95430	0.7
83.01384	14.7
85.02956	21.8
85.87917	0.7
86.00087	0.6
87.00877	1.5
88.98745	0.7
89.02452	6.4
92.12369	1.4
95.01396	2.7
96.96013	4.0
97.02950	1.3
99.00867	8.4
101.02442	49.3
103.04013	1.1
110.71648	0.7
113.02451	19.4
119.03460	1.5
123.46787	0.7
125.02431	0.8
143.03467	1.2
143.63220	0.8
145.05035	0.9
159.03017	3.4
161.04565	16.9
183.07712	0.6
189.79411	0.6
235.11900	68.0
236.12198	0.8
242.75844	0.6
265.22250	0.7
308.27765	0.7
381.17725	100.0
382.18057	3.9
405.17526	1.0
436.46207	0.7
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	Lys Met Tyr
Peak:m/z	Relative Intensity
54.71316	0.2
55.01886	0.7
57.03459	0.4
58.00585	0.4
59.01392	15.6
71.01392	9.7
72.34876	0.3
72.99307	0.5
73.02956	2.5
79.05517	0.4
81.94087	0.3
83.01395	3.0
85.02956	4.5
86.00114	0.5
89.02461	3.9
89.52381	0.3
95.01382	0.6
97.06576	0.3
97.29892	0.3
99.00842	0.7
101.02444	7.7
113.02446	3.5
119.03527	0.7
126.07597	0.3
135.08189	1.2
147.18689	0.3
215.14357	1.4
217.16080	0.4
233.15500	2.7
245.89513	0.3
261.14978	3.2
279.16046	4.5
281.07031	0.3
299.74222	0.3
304.20328	0.4
405.21384	1.7
423.20667	0.4
439.19843	0.6
441.21344	100.0
442.21729	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38763	0.2
52.53342	0.2
59.01384	4.6
64.46036	0.2
67.29465	0.3
71.01379	6.6
73.02943	6.5
81.03479	0.4
83.01379	0.4
85.02953	4.4
89.02412	2.3
92.12368	0.4
95.01365	0.3
101.02437	21.4
113.02438	3.1
117.71225	0.3
118.02911	0.3
121.86193	0.3
131.03531	2.8
143.03497	0.4
160.84230	1.4
161.04553	9.6
162.83917	4.1
166.30894	0.3
182.58145	0.3
229.41743	0.3
261.22055	0.3
279.23303	100.0
280.23547	1.8
329.32495	0.3
442.07159	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72884	0.5
59.01387	100.0
93.06518	0.7
116.92847	0.8
122.61504	0.6
138.13837	0.6
152.33754	0.7
174.87593	0.6
196.62547	0.7
236.98164	0.6
373.77008	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82732	0.2
58.02223	0.2
59.01389	100.0
61.98824	0.2
72.65186	0.2
90.08488	0.2
104.83398	0.2
136.87793	0.2
162.11058	0.2
168.86980	0.2
365.34146	0.2
381.14279	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25447	1.1
59.01394	100.0
74.35370	1.4
112.97485	1.3
116.92822	1.8
124.37862	1.3
189.77766	1.4
267.66693	1.4
279.23111	1.8
293.33527	1.4
381.34622	1.4
441.30179	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	442.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.5
60.01714	0.0
61.98836	100.0
68.26972	0.0
71.01394	0.3
73.02934	0.1
78.82384	0.0
79.75092	0.0
83.70129	0.0
86.42966	0.0
89.02430	0.4
90.02792	0.1
91.02898	0.1
96.96009	0.1
101.02461	0.2
102.02758	0.1
113.02502	0.0
119.03549	0.1
136.47179	0.0
149.04582	0.1
174.09843	0.1
225.37175	0.0
266.75299	0.0
277.04358	0.0
380.16159	0.1
381.16788	0.2
382.17032	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33845	0.3
50.47938	0.3
55.61726	0.3
57.03454	0.5
59.01149	0.4
59.01389	6.1
59.87049	0.3
60.99013	0.8
60.99314	20.5
61.98828	0.9
68.56654	0.3
71.01384	4.3
73.02930	0.5
74.02483	0.5
75.25829	0.3
82.95423	1.7
83.01382	0.6
83.05022	0.5
85.02943	0.7
87.00877	3.2
88.04045	0.6
88.98802	100.0
89.02439	51.9
89.03020	0.4
89.99184	0.4
90.85696	0.4
91.93506	0.4
93.03455	0.9
95.05037	0.5
96.95945	0.4
99.00864	0.6
99.05672	0.5
101.02454	3.0
107.05046	0.7
113.02450	0.8
114.05630	0.8
123.08181	1.5
125.06087	0.5
128.03581	0.6
134.03755	0.9
137.02477	0.8
139.03999	0.5
143.04657	0.7
149.05969	0.5
161.04660	0.5
171.11853	0.7
175.03918	0.6
176.01242	0.7
191.07292	0.5
193.05121	1.6
201.12964	0.8
235.06099	0.6
237.14983	0.8
243.45538	0.4
281.13956	6.2
295.08340	0.8
305.14145	0.9
306.07324	0.5
341.10983	1.5
407.20111	1.7
407.26453	0.4
443.20770	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60815	0.2
51.70759	0.3
59.01391	2.7
60.99012	0.6
60.99311	15.3
71.01381	0.7
73.02946	0.3
79.16151	0.4
83.01415	0.3
85.02927	0.4
87.00842	3.6
88.00407	1.3
88.01198	0.4
88.04016	0.4
88.98801	100.0
89.02438	78.6
89.99164	0.4
101.02428	1.9
113.02475	0.6
161.04497	0.3
166.27417	0.3
177.54222	0.3
221.10336	1.3
299.04526	0.4
340.70389	0.4
341.11002	0.5
353.14609	4.4
373.04950	0.4
466.39496	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.4
57.03461	0.5
58.00616	0.3
59.01108	0.4
59.01393	8.4
59.69007	0.2
71.01395	6.1
72.99313	1.6
73.02955	1.5
75.00880	100.0
83.01398	1.0
85.02969	2.1
85.27178	0.2
87.00896	0.4
89.02458	3.5
95.01395	0.4
98.86417	0.3
99.00873	0.4
101.02438	4.9
107.04982	0.3
113.02467	3.1
119.03510	1.5
123.08131	0.6
139.07614	0.3
154.48358	0.3
156.28477	0.3
161.04591	0.5
188.98802	0.3
235.11948	1.1
237.15015	0.5
240.88351	0.3
281.14001	1.9
305.14014	0.3
367.16132	4.4
443.13181	0.6
443.19299	14.6
443.72452	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	3.8
55.02100	0.4
56.55447	0.3
57.03451	2.8
58.00597	0.7
59.01387	32.0
69.03462	0.7
71.01382	36.0
72.99258	0.5
73.02944	15.2
75.00866	1.9
83.01384	7.3
85.02951	16.8
87.00874	2.7
89.02441	17.8
95.01380	2.1
96.96970	1.0
97.02945	2.8
99.00883	11.5
101.02443	35.7
111.00920	0.6
113.02444	14.8
115.04008	2.9
115.11362	0.5
119.03521	3.6
125.02406	4.2
131.03497	1.1
143.03525	2.2
149.04568	1.2
159.03023	3.6
161.03247	0.7
161.04559	16.9
179.05579	0.8
189.98331	0.5
191.05713	0.8
204.61035	0.5
221.10349	2.2
233.06691	1.0
237.59920	0.5
251.11374	24.6
265.01645	0.6
293.08981	0.6
342.24680	0.5
343.29370	0.6
383.15634	100.0
384.16183	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66718	0.5
54.50884	0.5
55.01879	2.9
57.03449	2.2
58.00589	0.8
59.01390	44.4
71.01385	24.9
71.45607	0.5
72.99294	3.8
73.02933	5.4
75.00872	100.0
83.01394	4.8
83.05059	0.6
85.02956	9.0
86.36144	0.6
87.00852	2.4
89.01939	1.1
89.02442	15.5
91.65237	0.5
95.01356	1.4
95.05043	0.6
95.65487	0.6
96.95994	4.1
99.00861	3.6
101.02441	19.2
111.04597	0.7
113.02456	8.1
119.03484	6.1
121.52584	0.5
123.08125	0.7
128.03506	0.5
161.04623	1.1
171.11766	0.9
174.28535	0.6
189.12875	2.2
237.14926	1.4
245.04926	0.6
281.13968	4.9
341.10831	0.8
367.16312	4.5
443.19308	75.9
444.19763	3.8
458.81622	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	10.6
59.01105	2.5
59.01386	55.9
61.98821	11.9
61.99096	1.8
71.01384	30.3
72.99347	2.1
73.02924	7.6
75.00848	3.0
76.56712	1.8
78.36908	1.8
82.55061	2.1
82.95438	3.4
83.01378	5.0
83.05020	12.2
85.02942	13.9
86.11287	1.8
87.00887	21.2
88.98805	2.4
89.02454	25.6
93.03455	3.2
95.01395	4.7
95.05019	3.4
96.96013	14.6
97.02972	2.6
97.06580	4.7
99.04462	2.8
101.02425	19.4
107.05031	24.4
109.02951	7.5
109.06680	2.4
113.02451	27.2
119.03526	4.1
121.06580	4.4
123.04498	2.9
123.08170	21.6
124.05344	2.3
124.43552	2.0
125.06087	33.0
128.03529	2.3
135.04555	15.2
137.06039	2.1
139.07637	4.6
139.08658	1.9
143.03554	2.9
145.10240	2.4
150.03174	2.6
153.05605	4.2
161.04556	2.4
165.05536	2.6
169.10097	2.3
171.11806	17.4
175.94385	2.1
189.12863	10.1
201.12859	7.9
207.13948	3.1
213.12854	2.3
231.13831	2.6
237.15051	22.0
264.71341	2.0
275.94077	1.8
281.13989	100.0
295.15579	4.3
299.57028	1.8
305.13956	33.7
323.15082	19.2
341.10892	10.8
358.15134	2.1
383.11722	2.6
405.17630	3.8
443.19046	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.2
57.03463	9.6
58.30006	0.7
59.01379	13.8
61.98838	15.9
69.03458	1.1
71.01379	15.3
71.06886	0.7
72.57507	0.8
73.02946	2.2
75.00873	14.4
83.01388	6.4
83.05015	6.6
85.02950	3.6
87.00867	12.4
88.04023	2.0
89.02432	5.9
95.05011	2.0
97.02911	1.0
97.06576	4.0
101.02436	17.6
107.05034	8.2
109.02937	3.9
109.06580	4.0
111.04517	3.6
111.08129	1.8
111.24909	0.9
113.02448	4.3
115.08763	3.7
119.03481	2.2
119.68051	0.8
121.06590	5.5
123.04488	1.9
123.08149	19.2
124.05311	1.2
125.06102	12.3
135.04524	5.2
135.08153	1.0
137.06107	3.5
137.09740	2.2
139.07597	3.3
139.99377	1.8
145.10214	1.6
147.04489	1.5
149.06064	1.0
151.07675	1.9
153.05580	2.1
153.09178	1.3
155.01720	1.2
161.09798	1.0
164.04881	0.9
165.05533	1.3
169.08669	1.1
169.10217	0.9
171.11794	23.1
177.09175	1.0
187.11191	1.5
189.12866	7.8
201.12794	6.3
207.13959	2.0
213.12845	1.1
219.13832	3.7
237.14949	24.5
263.13910	6.8
281.13983	100.0
282.14264	3.8
295.15369	1.1
305.13910	16.5
323.15002	10.0
353.16202	2.1
405.17786	1.1
407.19022	1.5
432.58353	1.3
443.23761	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	443.193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22963	0.4
55.01883	2.2
57.03455	7.2
59.01387	7.3
60.99313	0.6
61.98819	2.7
65.03956	0.6
69.03429	0.8
71.01384	15.0
71.05007	0.6
73.02940	3.2
75.00887	0.9
81.00825	0.5
82.06748	0.4
83.01396	5.3
83.01804	0.7
83.05035	7.6
85.02938	1.9
87.00877	10.2
88.98805	6.1
89.02440	5.5
93.03454	0.9
95.01339	0.6
95.05013	2.4
97.02904	0.6
97.06572	2.5
99.04485	0.5
101.02443	15.8
107.05058	6.3
109.02953	2.8
109.06590	2.1
111.04505	3.3
111.08157	1.1
113.02443	2.7
113.03582	0.7
113.06067	0.6
114.05585	0.7
119.03472	0.6
119.08612	0.9
121.06597	4.6
123.04516	2.1
123.08164	19.0
124.05271	0.6
125.06073	9.6
131.03445	0.5
131.04582	0.5
135.04543	5.1
135.08147	0.6
137.06087	3.1
137.09666	1.2
138.06799	0.5
139.04015	0.5
139.07664	4.9
145.06578	0.5
145.10229	2.1
149.09770	0.7
151.07660	2.6
153.05540	3.1
153.09215	2.5
161.04594	0.6
163.11281	0.7
165.05598	1.1
169.08725	2.0
169.10149	1.2
171.10324	0.7
171.11800	20.5
175.00105	0.5
175.11443	0.7
187.11313	0.9
189.12831	7.8
191.10660	0.8
201.12874	8.1
207.13950	5.1
213.12886	0.7
219.13930	2.5
231.13785	1.7
237.14980	21.8
261.14996	2.3
275.12808	0.5
281.13971	100.0
282.14301	2.5
295.15533	2.6
305.13998	15.1
323.15070	10.5
335.15100	2.7
353.16364	2.2
383.11908	0.5
383.18124	0.6
443.20679	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
70.46825	0.6
85.02955	0.6
85.28222	0.5
159.08420	4.8
161.06374	2.0
238.26033	0.6
241.26323	0.5
245.47151	0.5
277.07474	2.6
291.40240	0.5
329.10452	0.5
343.12424	0.9
345.13858	2.0
355.06006	0.6
357.13840	2.9
359.15384	100.0
360.15533	2.0
377.16483	2.4
386.12027	0.6
425.20087	0.7
427.21622	46.7
443.24786	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	443.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75139	0.4
59.01384	100.0
76.57848	0.5
79.37144	0.4
92.12321	0.5
96.07586	0.5
101.02474	0.9
101.98099	0.6
105.52772	0.5
150.87132	0.5
244.17447	0.5
281.25067	2.8
440.84665	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44533	0.2
56.10939	0.2
58.34237	0.3
59.01395	100.0
60.01774	0.3
66.17416	0.2
66.40516	0.2
92.12376	0.3
138.97052	0.3
142.26114	0.3
191.83353	0.3
214.85663	0.3
255.47530	0.3
434.30096	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.0
59.01387	64.5
59.37542	3.2
59.90525	3.0
61.83050	3.2
61.98834	76.6
62.62229	3.1
64.76897	3.4
70.26765	3.3
71.01385	58.8
78.95913	4.6
83.01365	4.4
85.02950	24.2
87.00889	3.7
89.02444	52.8
94.25247	3.4
96.37285	3.6
96.96008	36.0
96.96938	4.9
101.02413	34.0
113.02447	35.9
116.92833	6.3
119.03497	15.5
143.03505	4.3
146.64307	3.9
147.04463	6.7
153.06721	5.4
161.04587	15.9
164.07204	30.8
179.05605	8.6
206.17191	3.9
279.10928	18.4
306.67264	3.9
323.09821	25.5
383.15552	21.8
384.16043	21.9
408.15143	99.8
444.12766	100.0
455.43069	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	444.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.0
61.63758	0.1
61.98837	100.0
71.01398	0.5
73.02929	0.2
85.02954	0.5
95.05019	0.2
97.06602	0.1
101.02460	0.2
101.77269	0.1
104.30160	0.1
108.80764	0.1
110.42825	0.1
113.02492	0.2
139.04088	0.2
149.17891	0.1
292.71606	0.2
383.18430	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	7.7
59.01374	26.5
68.86951	4.5
70.44962	3.6
71.01366	9.4
71.39832	3.5
75.00883	3.9
78.95937	4.2
79.23286	3.6
85.02955	5.4
88.98830	5.1
96.96003	28.8
103.00380	4.4
122.03693	4.6
123.08176	4.9
128.03510	7.6
149.02464	6.5
150.03250	56.1
165.05585	100.0
171.11761	17.6
180.33586	5.7
182.92014	4.6
194.39655	4.2
195.06635	35.1
203.10847	6.3
221.12022	6.9
237.14900	10.3
276.88727	4.4
281.13959	48.3
401.16568	5.3
409.15137	23.5
438.44449	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	445.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68630	0.3
55.01864	0.3
55.35270	0.3
57.03452	1.9
58.00611	0.6
59.01393	27.3
61.98847	0.3
64.18339	0.3
71.01387	11.6
72.99299	0.3
75.00889	0.4
76.13514	0.3
83.01411	0.3
85.02951	15.6
87.00858	1.2
89.02443	17.9
92.12375	0.6
101.02435	9.9
103.04006	25.1
113.02445	6.2
119.03490	8.4
131.03476	0.5
143.03516	0.5
145.05060	1.2
179.05606	1.9
180.06636	0.3
265.09286	100.0
266.09708	0.6
293.01688	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.2
57.03450	2.1
58.00585	2.4
59.01387	100.0
60.08743	1.0
61.98835	73.7
71.00988	2.0
71.01379	47.0
72.99283	4.8
73.02946	38.0
73.71096	1.1
75.00906	1.1
78.21068	1.0
83.01365	5.1
83.44421	1.0
85.02948	18.6
86.00066	1.5
87.00875	18.7
87.04498	7.1
89.02440	30.4
95.01393	1.8
96.96014	10.2
97.02912	1.4
99.04567	1.4
101.02443	39.1
102.28870	0.9
103.04008	12.4
113.02426	7.1
114.36292	1.0
115.04012	10.9
119.03600	8.2
119.05014	41.0
125.02422	2.4
128.30774	1.1
131.03493	15.2
134.03641	1.1
137.06035	2.6
143.03500	19.6
145.05063	4.8
161.24500	1.0
163.06140	18.9
171.11803	1.3
205.07201	22.1
281.13791	2.5
282.14114	5.1
283.14496	1.9
299.11279	6.5
445.17072	96.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64582	0.1
51.76256	0.1
51.96575	0.1
52.91642	0.1
54.35505	0.1
54.82612	0.2
56.36296	0.1
57.97578	0.2
59.01389	100.0
60.01728	0.2
61.98831	0.6
62.96412	0.2
67.41203	0.2
71.33781	0.1
73.31251	0.1
78.95908	4.7
87.78963	0.1
149.00096	8.9
205.15991	9.6
240.03177	0.2
311.22440	1.3
331.18741	0.2
355.16858	31.5
356.17303	0.7
385.17923	14.7
445.19940	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	445.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.3
58.00581	0.5
59.01388	100.0
60.01705	0.3
61.98838	2.5
63.27125	0.3
65.89901	0.3
71.01385	13.3
71.01759	0.6
72.99322	0.5
73.02956	0.4
85.02966	2.5
87.00906	0.5
89.02439	18.7
89.67106	0.3
95.01398	0.4
96.96024	2.5
101.02438	5.1
111.30700	0.3
113.02432	4.2
119.03492	6.8
131.03566	0.5
143.03581	1.4
149.04568	0.6
150.14151	0.4
151.04018	0.4
153.09300	0.5
161.04590	2.4
179.05615	6.1
190.01930	0.3
205.12326	0.4
214.20721	0.3
223.86755	0.4
312.35114	0.3
385.18860	0.6
425.06854	0.4
445.20862	0.7
445.26343	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75744	0.3
53.80474	0.2
54.39253	0.3
55.53080	0.3
56.35053	0.3
56.85142	0.3
57.03457	0.3
58.00596	0.7
59.01387	100.0
60.01723	0.4
61.55894	0.3
61.98841	0.6
71.01382	15.4
71.01759	0.6
72.99314	0.5
73.02962	0.4
80.08857	0.3
83.01408	0.4
83.05029	2.8
84.57811	0.3
85.02944	2.4
87.00880	0.6
89.02441	24.0
90.02828	0.4
95.01392	0.7
95.82312	0.3
96.96015	0.6
101.02442	6.6
113.02456	6.3
119.03490	8.7
121.06570	0.4
143.03555	1.5
149.04659	0.7
161.04533	2.4
179.05617	13.4
205.12514	0.4
220.07466	0.4
250.47769	0.3
274.39175	0.3
323.45380	0.3
445.21048	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36334	0.2
59.01392	100.0
61.98828	0.3
71.01388	8.0
73.02949	1.4
75.00887	1.3
79.44784	0.3
82.61964	0.3
82.95415	2.3
83.01421	0.4
85.02959	2.1
87.00886	1.7
89.02438	8.8
97.38731	0.3
101.02442	4.0
107.46960	0.3
113.02444	3.3
115.98634	0.3
119.03500	4.1
161.04665	1.3
179.05606	3.0
187.11305	4.4
189.09177	0.3
205.12273	2.8
233.11977	1.7
277.14560	1.9
302.99683	0.3
385.18652	3.5
392.02475	0.3
445.21265	2.0
463.71280	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52402	0.5
58.00612	0.6
59.01387	100.0
63.97858	0.5
71.01381	29.9
72.99309	0.8
73.02930	2.7
83.01389	1.3
85.02958	6.8
87.00857	1.2
89.02441	38.0
95.01395	0.9
95.80099	0.5
101.02434	16.8
113.02442	13.9
119.03494	15.4
123.08186	0.9
131.03493	1.2
134.22025	0.6
143.03468	2.8
149.33827	0.6
153.09189	4.6
161.04559	5.5
175.72693	0.6
179.05600	12.9
183.51762	0.5
187.11240	1.0
192.91182	0.6
205.12369	7.8
223.13350	0.9
227.48601	0.6
345.11002	0.7
385.18713	27.9
386.18933	0.7
405.43192	0.7
445.20407	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.7
71.10691	0.3
76.23343	0.3
78.80643	0.3
78.95908	6.9
100.42983	0.3
110.98525	7.3
121.17435	0.2
129.76729	0.3
136.86897	0.3
152.99583	0.7
167.01093	2.4
176.79282	0.3
183.01180	0.4
185.02176	3.8
223.15016	0.3
233.22786	0.3
259.20529	0.4
262.54474	0.3
277.21722	100.0
278.21957	2.2
311.09964	0.3
311.16684	0.4
433.55536	0.3
445.23593	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	445.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62981	1.2
52.38467	1.5
52.38719	1.4
59.01386	100.0
59.22004	1.1
61.98834	9.3
67.70761	1.4
71.01398	1.9
74.84650	1.4
76.09614	1.2
76.78237	1.4
96.95994	2.2
121.36618	1.6
141.58426	1.3
224.55919	1.5
293.21323	6.0
311.22321	89.6
312.22699	1.6
316.05780	2.6
330.72971	1.9
385.26013	7.7
463.19299	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	11.4
63.79040	0.4
87.00864	100.0
88.00382	0.9
88.06400	0.5
92.12351	0.9
131.24782	0.4
283.26501	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	445.354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11251	0.5
56.11517	0.6
58.12812	0.6
59.01389	100.0
70.49991	0.7
79.67780	0.8
80.54218	0.8
85.10684	0.8
97.91347	0.7
98.15456	0.7
99.12546	0.7
101.02441	0.9
101.87220	0.8
151.20067	0.7
165.91817	0.9
202.75449	0.9
283.26352	6.4
304.04120	0.8
351.48047	0.8
467.58978	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82626	0.2
59.01392	1.8
61.98833	100.0
66.52579	0.1
78.95902	0.9
93.64543	0.2
115.19933	0.2
128.03574	0.3
135.02046	0.2
152.99590	1.3
185.47563	0.2
293.20795	0.2
299.57111	0.2
329.24701	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.4
61.98834	100.0
66.23403	0.1
78.95913	0.3
85.91537	0.1
152.99655	0.3
262.53079	0.2
263.09348	0.2
293.21304	0.2
294.53607	0.2
311.22034	0.2
446.58237	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63189	0.2
51.82414	0.1
58.02589	0.2
59.01380	0.3
61.98829	1.1
62.74623	0.2
62.96412	1.2
64.74696	0.2
66.22890	0.2
73.88504	0.2
76.83986	0.2
78.95901	46.1
91.25505	0.2
96.96945	3.1
101.13500	0.2
109.13947	0.2
117.84826	0.2
128.04785	0.2
149.00089	25.9
152.99628	2.0
153.89604	0.2
158.92551	1.7
179.01109	2.8
205.15959	2.8
227.89557	0.2
240.96678	0.3
267.11520	0.8
280.74405	0.2
333.06430	0.2
347.08072	0.7
417.12509	1.0
431.10345	3.8
443.10168	0.2
447.13477	100.0
448.13724	1.3
464.10034	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04702	0.7
59.01389	6.2
59.52166	0.8
61.98816	1.0
67.55380	0.6
69.03444	1.5
71.01376	3.4
71.04992	1.2
75.02667	0.8
78.89471	0.7
78.95924	1.1
81.03460	1.0
83.01381	2.0
87.00865	3.6
89.02478	5.9
93.03430	2.0
95.01376	1.0
96.95979	5.3
97.02919	6.9
101.02401	1.4
105.01952	1.4
105.03433	1.6
107.05032	1.2
108.02156	0.9
109.02951	41.9
119.03530	0.9
121.02936	4.9
122.03703	0.9
123.00904	1.0
123.04521	19.6
125.02421	1.3
128.03526	0.9
135.04520	7.3
137.02449	29.7
139.04022	15.9
141.49814	0.8
145.06204	6.1
147.04538	6.2
149.02452	43.0
150.03215	3.4
151.04015	29.5
161.02417	7.4
161.04510	0.9
163.04022	1.0
165.05550	1.2
176.01170	8.0
177.01886	8.6
178.02737	5.7
179.03543	3.8
191.03543	11.5
192.04265	3.4
197.06099	4.1
200.26050	0.9
203.03487	1.7
213.05591	11.8
215.05115	1.7
215.07170	39.6
239.07295	1.4
257.08249	8.9
263.91995	0.9
272.30426	0.9
283.06171	3.5
285.04044	0.8
301.07224	100.0
302.07336	1.1
341.10941	4.2
368.28192	0.9
423.09158	0.9
447.15109	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	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58440	0.4
54.82882	0.6
55.01875	0.7
57.03448	1.0
58.00586	0.9
59.01385	100.0
61.98832	29.2
61.99106	0.5
61.99158	0.6
71.01383	24.2
72.99291	1.0
73.02935	3.0
76.57926	0.7
83.01380	2.8
85.02952	6.3
87.00863	1.3
87.43993	0.5
88.98824	0.6
89.02435	24.0
89.10311	0.5
92.66081	0.7
95.01386	0.9
96.95988	1.3
99.00889	0.6
101.02435	19.0
102.02730	0.6
105.93455	0.6
113.02439	11.4
119.03496	9.0
134.13847	0.6
135.70596	0.6
137.09708	1.4
143.03517	1.5
151.11327	0.9
153.05507	1.0
153.12796	0.6
161.04564	8.4
179.05585	8.7
189.12852	2.8
207.13972	0.7
225.14935	6.5
354.82782	0.6
387.15546	1.0
387.20306	25.8
388.20248	1.0
406.10098	0.7
447.17935	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68976	0.2
55.01884	1.8
57.03458	2.6
58.00617	0.6
58.96477	0.3
59.01389	83.4
71.01383	23.8
72.99322	1.1
73.02950	3.9
74.88561	0.2
75.00929	0.2
83.01378	3.4
84.83918	0.3
85.02955	9.9
87.00877	1.6
89.01880	0.6
89.02440	20.2
95.01386	2.3
99.00890	2.0
101.02440	19.6
113.02445	12.1
113.03233	0.4
119.03497	7.8
125.02464	0.3
137.09698	1.0
138.06880	1.6
143.03526	0.7
149.04611	0.5
152.08516	0.4
153.09239	3.9
153.12856	0.4
159.02985	1.5
161.04573	3.7
163.11337	0.4
179.05620	0.6
181.12239	0.4
194.89415	0.3
195.13977	1.1
197.15491	1.3
207.13989	1.8
225.14992	15.2
229.71834	0.3
233.16039	0.3
239.77005	0.3
261.59003	0.3
387.20313	100.0
388.20642	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05685	0.2
51.44456	0.2
55.01889	0.5
57.03461	1.5
58.00603	1.1
59.01388	100.0
59.07242	0.2
69.03458	0.3
71.01383	21.7
72.99313	0.9
73.02937	2.5
77.88403	0.2
83.01385	1.7
84.78638	0.2
85.02948	7.0
85.03397	0.3
87.00883	1.4
88.55621	0.2
89.02443	27.6
92.11800	0.5
95.01404	1.4
99.00896	0.4
101.02439	12.9
103.70491	0.2
104.58173	0.2
113.02451	10.9
119.03497	11.7
123.08173	0.3
125.02444	0.3
131.03539	1.2
137.09764	1.2
143.03477	2.3
149.04591	0.5
149.18633	0.2
151.11327	0.4
159.03043	0.5
161.04572	6.5
163.11327	0.3
179.05623	13.3
195.14059	1.1
196.35478	0.2
197.15515	0.4
207.14023	1.2
225.15007	5.2
300.85287	0.2
382.59210	0.3
387.20319	15.9
388.20609	0.9
395.70300	0.3
447.22647	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.3
57.03460	1.8
58.00603	1.4
59.01385	100.0
60.01723	0.3
61.98831	1.6
71.01381	39.7
72.99294	2.2
73.02943	5.1
74.27782	0.2
75.00881	0.3
81.20206	0.2
83.01394	4.4
85.02946	12.9
87.00877	2.1
89.02439	38.7
90.84867	0.2
95.01386	3.0
96.96001	0.4
97.02905	0.4
99.00880	2.2
101.02434	26.3
111.00843	0.4
113.02443	17.8
119.03491	15.0
125.02438	0.7
129.01920	0.2
131.03485	1.2
136.05315	1.2
138.06831	0.2
143.03474	2.1
149.04555	0.8
151.07668	0.4
152.08424	6.2
153.09218	1.3
155.10858	0.2
159.03000	1.2
161.04553	5.9
179.05605	6.8
189.12886	0.3
207.13922	0.4
210.12585	0.4
224.51294	0.2
225.14963	3.3
301.86584	0.2
372.18042	0.4
387.20291	94.4
388.20657	3.2
474.44318	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80312	0.2
59.01385	0.4
68.89321	0.2
70.18908	0.2
72.06874	0.3
78.95901	6.0
81.27521	0.2
85.25399	0.2
92.11775	0.5
95.48369	0.2
110.98540	4.7
125.16735	0.3
150.08604	0.2
152.99554	0.9
167.01186	2.0
185.02225	3.1
191.97940	0.3
230.97272	0.3
279.23291	100.0
280.23630	2.7
362.91830	0.3
447.25256	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	447.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40487	0.2
53.13680	0.2
54.55930	0.2
59.01371	0.3
76.57871	0.2
78.95904	6.3
80.33511	0.2
92.11749	0.3
95.09879	0.2
102.47538	0.2
105.85224	0.2
110.98525	4.2
152.99579	1.6
167.01122	1.9
185.02213	3.1
253.72968	0.3
279.23291	100.0
280.23718	2.0
290.19199	0.3
345.15585	0.2
367.72894	0.3
447.25171	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	447.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65786	0.9
54.82514	0.8
56.50933	0.9
59.01117	1.6
59.01386	29.5
61.98841	6.6
70.76454	0.9
71.01382	12.6
72.99296	4.6
76.16350	0.8
78.95912	21.1
85.02966	3.5
87.24606	0.9
89.02442	9.0
91.10621	1.0
96.95970	2.1
96.96973	1.1
101.02442	6.8
113.02464	4.0
119.03481	1.0
129.29616	0.9
149.00087	1.8
152.99586	24.3
180.24895	0.9
203.18042	1.3
205.19585	4.3
219.65692	0.9
221.19153	12.4
223.20708	5.0
249.18652	7.0
267.19675	33.8
269.21234	14.4
386.76456	0.9
387.20145	1.2
447.13528	14.8
447.26065	100.0
464.40726	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82397	1.8
59.01384	100.0
64.29974	1.6
71.01378	89.7
72.99281	2.6
74.34064	1.6
75.00861	2.7
85.02964	6.4
87.00878	2.7
89.02432	95.8
92.12355	2.1
93.14301	1.9
101.02439	20.6
113.02427	17.2
116.92909	2.4
119.03487	11.5
143.03523	3.3
161.04587	2.7
179.05632	15.4
267.23291	38.4
349.23468	3.5
381.90723	2.1
397.41611	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12514	0.5
59.01390	100.0
61.98838	23.1
64.18008	0.5
66.51403	0.5
75.57950	0.5
77.31413	0.6
78.95905	11.0
88.98906	0.5
96.96968	0.9
139.97942	0.6
152.99602	14.7
172.31274	0.6
182.92018	0.6
220.25192	0.7
244.16608	0.7
279.23502	0.8
294.29019	0.7
313.23904	33.0
326.86353	0.6
327.84796	0.8
355.74179	0.6
447.21616	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	448.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81227	0.5
52.66254	0.5
59.01381	1.5
69.03485	0.7
71.01392	1.0
71.05013	0.9
81.03462	0.8
89.02438	0.8
92.12359	1.5
93.03448	0.8
96.96014	6.5
97.02960	1.6
102.05600	51.0
109.02950	24.5
121.02995	1.3
123.04510	9.9
125.02449	1.6
128.02612	1.5
128.03532	35.1
133.02908	0.8
135.04541	3.3
137.02446	13.4
139.03972	7.1
143.04704	0.8
146.04593	100.0
147.04547	1.3
149.02431	23.4
151.03993	15.1
153.01961	0.9
159.04497	1.0
161.02440	3.8
162.03310	0.8
163.03995	1.1
175.03931	0.9
176.01115	1.6
177.01964	4.2
178.02693	3.1
179.03525	3.0
191.03500	7.0
192.04294	1.0
197.06049	1.2
213.05566	4.1
215.07152	19.1
257.08353	5.3
301.07211	46.4
376.24982	0.9
429.38330	0.7
430.10944	0.8
451.30905	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35413	0.1
59.01382	1.2
60.01734	0.1
60.96959	0.1
61.98837	100.0
62.04040	0.1
94.11616	0.1
152.99591	0.2
223.30984	0.1
357.17337	0.1
389.27728	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	448.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.2
57.03455	0.1
59.01386	6.2
60.01725	0.2
61.01820	0.1
61.98834	100.0
62.82245	0.1
71.01376	2.6
72.01746	0.2
73.02949	0.2
83.01369	0.2
84.84128	0.1
85.02960	0.7
87.00867	0.1
89.02428	2.1
90.02785	0.1
92.12389	0.3
99.00855	0.1
101.02438	1.4
113.02438	0.9
113.20424	0.1
119.03522	0.9
133.70470	0.1
152.08466	0.2
153.09213	0.2
161.04619	0.2
179.05644	0.2
335.28064	0.1
387.20245	3.5
388.20599	4.0
388.25253	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01973	0.1
59.01149	0.2
59.01392	3.0
60.01726	0.3
61.01807	0.2
61.31239	0.1
61.98837	100.0
68.43800	0.1
69.71340	0.1
71.01394	1.1
71.44596	0.1
85.02956	0.1
89.02446	0.9
92.12342	0.5
101.02451	0.3
110.91799	0.1
119.03509	0.2
142.75407	0.1
153.09184	0.3
154.09593	0.2
165.44447	0.1
214.45929	0.1
234.45590	0.1
265.34933	0.2
387.20074	1.0
388.20599	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	448.231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.6
61.98825	0.6
70.02979	0.6
70.67791	0.2
71.01363	0.3
73.76624	0.2
78.95889	1.2
79.85253	0.2
81.03463	0.9
83.29392	0.2
84.60455	0.2
87.05643	4.3
88.04030	0.5
93.62617	0.3
96.96957	0.5
98.02515	0.3
103.99906	0.2
109.16241	0.2
114.01937	0.4
114.09212	0.3
116.07138	0.6
125.02452	0.5
129.10347	0.3
130.08728	11.9
139.07646	0.3
140.10815	3.7
141.10344	0.4
155.11868	0.3
157.13464	29.7
158.08183	0.5
158.13919	0.3
174.36234	0.3
183.07800	0.5
200.09396	0.4
201.02531	1.1
201.07588	2.0
201.12473	100.0
202.12660	0.3
208.59088	0.2
261.19693	0.2
328.08856	0.9
448.12027	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86126	0.1
59.01387	2.5
60.01712	0.2
61.98834	100.0
69.34838	0.2
78.95911	1.3
79.20996	0.2
83.81141	0.2
105.60483	0.1
107.46921	0.2
114.38152	0.1
129.31729	0.2
133.23242	0.2
152.99582	1.6
282.28198	0.2
313.23767	0.2
314.24078	0.4
333.20636	0.3
449.22791	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84858	0.1
59.01390	0.2
59.97440	0.1
61.98840	100.0
70.42253	0.1
70.77703	0.1
72.99295	0.1
74.10813	0.1
78.95925	0.2
87.25793	0.1
88.44378	0.1
88.90537	0.1
88.92383	0.1
90.02235	0.1
106.38383	0.1
106.61633	0.1
152.99648	0.8
229.87019	0.1
263.87946	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	449.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86741	0.2
54.68712	0.2
59.01389	0.7
61.98827	1.2
62.96416	25.8
78.95904	63.0
80.97466	34.3
91.78118	0.3
96.95998	0.7
108.01659	0.3
129.61746	0.3
149.00098	22.2
151.01680	0.4
152.99596	0.3
179.01158	2.1
185.80118	0.4
205.14032	0.6
205.15987	15.3
224.95554	0.3
232.14670	0.3
242.98300	6.1
276.72479	0.3
285.12668	1.9
311.45224	0.3
355.16864	25.9
385.17920	29.5
386.18393	0.4
408.10764	0.3
449.15057	100.0
450.15393	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89936	0.2
51.49629	0.3
51.72859	0.2
59.01382	0.5
59.13797	0.2
61.98849	2.4
61.99110	0.3
62.96415	27.0
65.74128	0.3
78.95902	74.0
80.97467	36.0
91.41685	0.3
92.65144	0.3
96.96923	0.6
106.63679	0.3
114.38524	0.3
149.00095	25.2
150.00459	0.4
151.01700	0.3
152.99593	6.9
154.48701	0.2
179.01138	2.1
181.02684	0.3
190.45024	0.3
205.15987	15.7
242.98274	4.3
285.12643	2.4
355.16843	27.8
385.17905	29.6
386.18204	0.4
448.13934	2.7
449.15024	100.0
450.15594	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37536	0.7
54.66954	0.8
57.03454	1.1
58.00592	1.0
59.01389	85.5
61.98839	12.2
71.01386	40.9
72.99323	3.3
73.02940	17.2
78.95907	1.1
83.01405	1.2
85.02953	5.6
85.40470	0.9
87.00872	1.4
88.04048	2.2
89.02444	100.0
91.05549	1.0
95.05001	0.9
96.96008	78.4
96.96956	2.1
97.02924	0.8
99.00883	26.8
101.02440	25.9
113.02447	7.4
119.03513	4.8
125.02453	7.4
131.03490	10.3
137.06065	4.2
143.03482	1.8
147.11833	1.0
149.04573	42.7
154.01480	1.6
161.04619	2.1
164.78804	1.1
186.57335	1.0
191.05618	10.7
195.65387	0.9
221.06743	2.0
251.07745	6.0
259.06128	1.0
287.05911	1.1
293.08768	1.2
351.16708	4.4
389.18307	4.4
449.16214	6.3
449.20691	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	449.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	29.1
61.98830	23.9
78.95866	26.9
88.61124	18.5
90.71172	17.3
98.06796	17.2
152.99617	100.0
308.40997	18.9
388.42767	24.7
456.97684	20.9
462.81461	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05916	18.0
54.37276	17.7
57.55409	15.8
59.01384	19.7
61.98827	75.8
78.91888	30.1
78.95896	37.6
152.99615	100.0
219.14023	21.1
255.23306	19.9
307.05283	21.4
310.47934	23.4
367.96048	22.3
413.33206	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	449.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	45.6
61.98835	100.0
64.34901	3.3
69.49685	3.7
78.95905	61.7
82.95420	4.4
96.96951	4.8
116.92818	3.6
152.99585	90.4
187.08784	13.8
230.09529	3.4
310.38632	3.9
376.84808	3.5
449.23212	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	449.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41920	2.7
57.95386	2.6
59.01371	2.8
61.98836	6.7
65.97208	2.5
73.97281	2.5
75.49207	2.6
78.95905	12.4
86.07940	2.8
94.73329	2.4
114.18864	3.3
116.92860	100.0
120.22839	2.9
152.99623	15.6
212.81812	2.9
264.46609	3.0
281.04834	2.7
331.18759	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	449.1954
Annotation	Flemiphilippinin B
Peak:m/z	Relative Intensity
57.03459	1.5
59.01386	42.7
61.98828	9.1
71.01357	11.6
73.02927	1.7
87.00867	1.9
89.02413	7.9
94.41360	2.0
101.02422	7.1
106.54752	1.9
113.02431	3.0
118.76005	1.7
120.99649	3.2
165.01956	2.2
180.04250	6.9
195.06551	3.8
225.07578	3.0
388.79141	2.0
389.21643	9.3
413.21609	7.3
449.19284	100.0
450.20016	2.6
462.71362	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	449.1954
Annotation	Flemiphilippinin B
Peak:m/z	Relative Intensity
57.03459	1.5
59.01386	42.7
61.98828	9.1
71.01357	11.6
73.02927	1.7
87.00867	1.9
89.02413	7.9
94.41360	2.0
101.02422	7.1
106.54752	1.9
113.02431	3.0
118.76005	1.7
120.99649	3.2
165.01956	2.2
180.04250	6.9
195.06551	3.8
225.07578	3.0
388.79141	2.0
389.21643	9.3
413.21609	7.3
449.19284	100.0
450.20016	2.6
462.71362	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	449.2314
Annotation	Salaquinone A
Peak:m/z	Relative Intensity
54.82773	0.3
59.01371	1.4
60.28559	0.3
61.98834	7.6
78.95898	57.8
95.81721	0.4
96.96009	0.8
96.96955	6.8
99.97672	0.4
104.68949	0.4
120.32629	0.4
149.06390	0.3
150.98016	2.3
152.99586	100.0
158.25812	0.3
171.00690	3.4
179.46013	0.3
217.50267	0.3
431.16544	1.3
449.23120	16.0
449.29318	0.6
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
55.01874	1.6
57.03466	1.4
59.01385	100.0
61.98828	1.4
67.67450	0.7
71.01378	28.3
71.01758	1.2
72.99324	0.8
73.02944	5.0
81.74162	0.7
83.01373	4.5
85.02950	12.3
89.02436	15.9
95.01392	1.1
99.00845	1.6
101.02435	21.3
113.02443	12.5
119.03486	8.1
120.77682	0.8
159.02980	1.7
161.04576	6.7
173.04204	0.8
179.05597	1.8
227.16533	4.5
389.21860	79.7
390.22073	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49080	0.3
52.80925	0.2
55.01891	0.7
57.03445	0.5
57.86079	0.2
57.97717	0.2
59.01388	100.0
60.01716	0.4
61.98837	11.4
63.46597	0.2
71.01383	6.6
71.05025	1.2
72.63081	0.3
73.02950	2.0
77.68803	0.2
83.01380	0.7
85.02962	4.1
87.00851	0.4
88.40530	0.3
89.02444	2.6
92.11750	0.5
94.55623	0.3
95.01401	0.5
96.95969	0.3
98.03693	0.3
99.00874	0.5
101.02451	5.7
113.02457	3.8
114.56638	0.3
119.03491	1.1
139.07651	0.5
143.03529	0.6
153.09273	0.3
155.10800	4.2
159.03107	0.5
161.04568	6.7
179.05681	0.4
227.16573	6.4
242.55772	0.3
265.55701	0.3
282.17996	0.3
290.04739	0.3
308.60626	0.3
389.21869	15.9
390.22348	0.5
413.17838	0.4
433.20859	0.4
449.24115	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.9
58.00589	0.5
59.01389	100.0
60.01719	0.5
61.98838	7.8
71.01382	17.6
72.99328	0.9
73.02941	2.7
78.51196	0.4
83.01388	1.6
85.02953	5.6
87.00891	0.4
89.02441	23.4
92.12514	0.4
95.01406	1.4
99.00913	0.7
101.02444	11.6
113.02445	8.6
116.07116	0.4
119.03499	10.4
131.03487	0.7
143.03535	1.5
149.04585	0.6
161.04565	6.0
169.44049	0.5
179.05611	5.9
227.16669	1.9
289.27686	0.4
320.85574	0.4
386.80704	0.4
389.21851	35.8
390.22372	2.0
401.36130	0.4
449.24323	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04739	0.2
52.22667	0.2
57.03455	0.3
57.35789	0.2
59.01388	100.0
60.01735	0.4
61.98837	5.2
63.77330	0.2
67.89490	0.2
71.01385	5.8
71.05023	0.3
72.99322	0.3
73.02954	1.3
74.02478	0.3
83.01401	0.4
85.02950	2.1
85.80008	0.2
87.00891	0.4
89.02438	4.6
89.02956	0.3
95.01391	0.4
96.96009	5.9
96.96947	0.2
97.02946	0.2
99.00885	0.5
101.02444	3.2
101.07166	0.3
102.98602	0.7
109.23173	0.2
113.02467	3.3
114.11874	0.2
119.03520	1.4
124.05281	0.3
125.02496	0.3
127.05132	0.4
139.07707	0.4
141.09212	0.3
143.03519	0.3
145.06213	0.9
153.09238	0.4
154.44510	0.2
155.10783	3.3
159.20303	0.3
161.04578	3.3
162.46933	0.2
179.05682	1.2
208.11040	0.4
225.10660	0.2
227.16539	3.1
241.64638	0.2
263.14984	0.2
283.05167	0.8
313.00531	0.2
389.21933	8.9
433.21246	0.4
449.20636	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21481	0.2
54.56543	0.2
63.36580	0.1
65.95683	0.2
68.26006	0.2
78.95904	4.7
81.81791	0.2
84.98151	0.2
87.23875	0.2
104.97467	0.3
110.98533	3.8
119.30434	0.2
152.99605	1.0
167.01138	1.8
185.02209	2.4
229.82402	0.2
281.24875	100.0
282.25223	2.4
312.20328	0.3
395.50726	0.2
449.26794	7.9
450.27261	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39070	0.1
55.57360	0.1
59.01388	8.3
60.01718	0.2
61.98834	100.0
67.78442	0.2
71.01392	0.9
73.02935	0.2
75.46124	0.2
84.83798	0.2
85.02959	0.3
88.98807	0.3
89.02466	0.4
101.02451	0.4
101.43594	0.2
111.29733	0.2
113.02446	0.4
119.03478	0.3
133.48624	0.2
148.72269	0.2
206.83055	0.2
389.21628	0.8
390.22363	0.8
467.98859	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09771	0.1
54.82558	0.1
59.01105	0.2
59.01389	5.5
60.01729	0.5
61.98837	100.0
65.56036	0.1
66.29384	0.1
71.01385	1.3
73.02927	0.2
76.32068	0.1
85.02944	0.5
88.98807	0.2
89.02444	1.0
92.12302	0.2
93.91410	0.1
101.02428	1.1
113.02471	0.4
119.03520	0.2
120.73550	0.1
161.04694	0.1
179.05658	0.1
192.97855	0.1
286.86600	0.2
333.33551	0.1
389.21951	1.2
390.22278	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	450.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82705	0.1
57.29964	0.1
59.01388	2.1
61.01817	0.2
61.98834	100.0
71.01382	0.3
71.72097	0.1
74.15179	0.1
75.22042	0.1
85.35850	0.1
86.71289	0.1
89.02439	0.3
91.02885	0.2
153.09254	0.2
154.09558	0.2
195.72266	0.2
225.15141	0.2
381.05679	0.2
389.20908	0.3
390.21350	0.2
434.73050	0.1
451.13324	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62141	0.1
56.68710	0.1
59.01384	0.8
61.16185	0.1
61.98838	100.0
62.82004	0.1
66.97926	0.1
69.44855	0.1
71.01385	0.2
85.52579	0.1
89.02465	0.1
91.09061	0.1
92.12416	0.2
101.02425	0.1
142.75327	0.1
201.35263	0.1
216.26720	0.1
220.98756	0.1
235.33722	0.1
243.48959	0.1
389.21127	0.4
390.21356	0.1
405.60568	0.1
459.58432	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	451.055
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02985	2.0
59.01387	1.6
60.09150	0.1
61.98830	0.9
63.12023	0.1
65.84763	0.1
67.09803	0.1
71.01378	0.6
72.00907	0.1
73.02956	0.1
74.02479	0.8
76.57220	0.1
78.95904	8.2
79.95741	2.2
82.95419	0.5
85.02951	0.3
89.02432	0.5
96.96006	100.0
96.96912	11.5
98.02497	0.1
101.02427	0.5
111.18019	0.1
113.02460	0.1
116.03529	0.2
116.05051	0.9
119.03465	0.2
125.02361	0.1
130.06587	0.2
138.12924	0.1
142.06645	0.7
154.56720	0.1
159.09291	0.1
166.23183	0.1
186.05644	0.2
201.10362	3.5
203.08281	2.6
241.04985	0.2
242.57144	0.1
245.09393	0.7
251.25066	0.1
255.06453	0.1
256.07437	0.2
257.36884	0.1
354.03699	0.1
365.13589	1.7
391.20032	0.2
407.14621	7.8
423.96216	0.1
451.21884	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52253	0.1
59.98303	0.2
66.31033	0.1
68.33518	0.1
78.95911	14.3
79.95744	1.3
83.30930	0.2
84.54896	0.2
87.33163	0.2
96.96011	100.0
96.96957	26.9
105.05933	0.1
251.35248	0.2
277.64407	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59344	0.2
55.47628	0.2
61.85321	0.1
65.21529	0.2
78.95901	29.2
79.95743	1.3
81.32047	0.2
86.61884	0.2
96.95995	100.0
96.96938	50.1
121.37452	0.2
149.97525	0.2
151.16368	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82179	0.2
57.26242	0.1
59.01393	2.7
61.98826	0.3
66.95922	1.1
71.01382	2.0
73.02934	0.2
82.95414	100.0
89.02431	2.1
92.12370	0.4
96.96005	1.5
97.02941	0.4
101.02451	0.5
107.54126	0.2
109.02968	1.6
113.02455	0.3
119.30766	0.2
119.81055	0.2
123.04513	1.0
125.02428	1.6
137.02461	1.3
140.92957	0.2
151.04074	0.3
161.06100	0.3
165.01958	0.3
175.07559	0.2
179.03558	0.2
183.24902	0.2
187.04039	0.2
188.04828	0.2
200.80380	0.2
201.10371	0.4
203.07184	0.9
203.27667	0.2
205.05064	0.3
221.08308	0.2
245.08202	1.0
246.61620	0.2
279.02142	0.2
289.07260	3.7
293.08859	1.3
339.00043	0.2
355.94336	0.2
391.12430	0.5
407.14822	0.8
451.12662	1.6
451.21945	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66831	0.8
57.03440	1.5
59.01109	1.2
59.01387	29.5
60.99308	1.9
61.98837	100.0
62.98539	0.9
63.99262	4.5
65.72620	0.8
67.68718	0.9
71.01373	5.3
73.02953	1.4
83.01375	1.2
84.01707	1.0
85.02940	3.5
88.98798	14.4
89.02433	5.7
91.44141	0.9
95.32846	1.1
96.95987	1.8
97.02916	1.1
101.02417	6.5
113.02438	2.1
121.02946	1.9
125.02433	9.7
125.19328	0.8
149.02428	6.6
150.03224	3.9
151.00398	1.2
164.04840	1.0
165.05534	2.0
179.03537	1.6
195.06682	1.5
217.37961	1.1
240.04337	2.0
259.06104	2.0
260.06491	1.4
261.06604	1.7
269.04721	1.2
271.05136	2.1
287.05585	1.2
289.06009	1.4
295.06308	3.4
298.08490	4.8
307.67166	1.0
310.08389	2.2
313.10831	5.4
325.10736	1.4
361.12994	5.2
373.12802	4.5
391.16153	2.0
391.23141	1.2
403.17807	1.5
405.20694	1.0
415.15536	1.9
415.20428	1.5
451.13538	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	451.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.6
59.01385	100.0
61.98830	7.9
64.34259	0.4
70.01591	0.4
71.01376	10.3
73.02925	3.1
80.15863	0.4
83.01370	2.2
85.02947	5.1
87.00875	0.5
89.02456	7.2
95.01410	0.5
99.00864	0.8
101.02427	11.0
103.46398	0.4
113.02439	6.9
119.03484	3.3
133.24545	0.4
143.03493	0.5
157.17064	0.4
159.02966	0.6
161.04533	4.3
197.40636	0.5
229.18004	0.4
290.61008	0.5
305.69540	0.4
335.13678	0.5
373.13834	0.5
391.23425	55.0
392.23572	0.8
415.16183	0.7
451.25653	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
57.03455	0.3
59.01384	100.0
61.98832	7.1
71.01380	4.1
72.99341	0.2
73.02933	1.9
75.00882	0.3
83.01392	1.1
85.02938	3.0
87.00880	0.4
89.02447	1.0
95.01342	0.3
96.95989	0.5
99.00893	0.8
101.02422	4.1
101.02976	0.3
113.02431	2.0
116.92879	0.3
119.03485	0.5
121.02962	0.9
137.04999	0.2
139.04086	0.3
143.03558	0.2
146.03542	0.2
149.55115	0.2
150.10104	0.2
159.03040	0.4
161.04547	3.0
164.04831	0.2
184.56828	0.2
224.04747	0.2
227.07220	0.4
237.05478	0.3
239.07137	0.9
240.04288	6.4
241.04733	0.5
253.05070	0.3
254.06004	0.2
255.06609	1.7
265.05246	1.4
266.05869	0.4
267.06638	2.9
269.08206	0.3
270.09109	0.9
279.06635	0.3
283.06146	3.3
295.06110	6.1
295.09122	0.3
296.06549	0.5
298.08493	6.7
309.07611	0.3
310.08478	5.7
311.08984	0.3
313.10825	8.1
313.14209	0.3
314.11325	0.3
325.07364	0.5
325.10815	5.0
326.11533	0.3
338.99948	0.2
343.11884	0.4
355.11975	0.3
361.12943	7.7
361.17087	0.3
362.13345	0.3
373.12872	5.4
373.17209	0.3
374.13376	0.4
391.23343	10.2
392.23837	0.2
409.24905	0.5
411.13406	0.2
435.22571	2.1
451.25934	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	451.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.2
56.16814	0.2
57.03488	0.3
59.01394	100.0
60.01731	0.3
61.33131	0.2
61.98540	0.3
61.98846	6.3
63.84054	0.2
71.01394	5.2
73.02950	1.4
83.01407	0.9
85.02959	2.6
89.02480	1.0
95.14007	0.2
99.00883	0.4
101.02448	4.2
112.98186	0.2
113.02452	2.1
120.17197	0.2
121.02962	0.4
143.03612	0.3
159.03096	0.3
161.04565	2.8
212.04895	0.3
239.03529	0.2
239.07220	0.8
240.04314	7.1
241.04883	0.4
249.05637	0.3
254.05992	0.3
255.06552	1.6
265.05255	1.1
266.05875	0.4
267.06723	2.4
268.07220	0.3
269.08295	0.5
270.09155	0.4
279.06573	0.3
283.06186	3.2
284.06699	0.3
294.08887	0.3
295.06155	7.5
296.06390	0.3
298.08456	7.3
309.07697	0.3
310.08484	5.7
310.11621	0.3
311.09097	0.4
313.10858	8.2
313.14182	0.3
314.11301	0.7
325.07285	0.7
325.10791	4.8
343.12170	0.4
361.12955	7.3
369.80200	0.2
373.12949	6.7
373.17380	0.3
374.13391	0.5
380.37997	0.2
391.23376	10.3
392.23776	0.3
409.24725	0.4
429.32425	0.2
435.22415	2.1
451.25955	2.1
474.37848	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	100.0
61.98845	0.9
62.96413	0.7
70.39083	0.4
78.95912	2.8
80.97505	0.7
81.03458	3.9
82.95432	0.5
83.05025	16.4
88.20696	0.4
89.16634	0.4
91.54968	0.4
133.91444	0.4
204.39767	0.4
255.38684	0.4
307.24036	0.7
387.18060	0.6
391.29697	42.6
392.30319	0.8
451.15472	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	451.318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07183	0.3
54.82940	0.3
59.01387	100.0
60.01734	0.4
61.98857	0.3
64.78490	0.2
74.73827	0.2
78.95905	2.3
81.03457	4.1
83.05025	16.6
111.48454	0.3
126.67133	0.2
142.23630	0.2
152.99615	2.8
155.00121	0.3
158.91177	0.2
182.15448	0.3
234.77736	0.3
284.10638	0.3
307.24078	1.1
354.33392	0.3
389.28104	0.4
391.29727	45.2
392.30109	1.6
451.24185	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94217	0.6
59.01385	6.9
61.98824	1.4
71.01395	1.1
78.95902	3.3
81.03453	10.2
83.05034	28.8
85.28625	0.7
89.02457	0.8
92.25101	0.6
101.02432	0.7
106.77763	0.6
107.06133	0.8
107.88664	0.6
108.04542	1.0
117.80562	0.6
125.07210	4.5
143.08253	1.5
165.38101	0.7
207.15016	3.3
224.17691	6.0
225.16101	11.7
227.06892	1.0
242.18726	1.2
266.27420	0.6
268.16586	0.7
296.00861	0.8
324.26569	2.6
333.23062	5.4
351.23947	1.5
391.22977	0.7
396.21008	0.7
402.86102	0.9
406.86594	0.7
433.31717	7.8
451.32935	100.0
452.33319	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	452.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18460	0.6
55.01888	3.2
57.03461	1.2
58.00605	1.3
59.01392	76.8
69.03465	5.7
71.01388	69.1
72.99312	1.5
73.02951	21.0
75.00851	3.5
81.03453	3.5
83.01399	6.9
85.02964	11.7
87.00895	1.0
89.02439	100.0
90.02794	0.8
95.01389	1.8
97.02930	10.5
99.00876	26.3
99.04491	1.7
101.02434	27.4
102.45202	0.8
111.00915	0.8
112.62164	0.8
113.02450	14.5
115.04021	6.4
116.65891	0.8
119.03499	3.3
124.79688	0.7
125.02442	25.5
131.03516	10.6
143.03511	3.7
149.04544	26.5
151.38585	0.8
159.03001	1.2
161.04552	19.0
173.04524	0.9
175.06151	0.8
188.05692	1.1
191.05629	11.0
221.06639	3.4
233.06717	12.6
233.08945	1.1
251.07712	1.8
293.08817	37.6
392.15665	95.5
393.16138	3.8
454.27817	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.1
57.03439	0.7
58.00596	1.4
58.02989	6.5
59.01388	54.2
61.98835	7.4
69.03452	3.4
70.33814	0.5
71.01384	63.2
72.99294	2.8
73.02948	19.4
74.02460	2.4
75.00867	2.5
81.03448	2.8
82.95419	3.1
83.01382	4.8
84.95115	1.1
85.02949	14.8
87.00855	2.5
88.98774	0.6
89.02448	100.0
95.01383	2.8
96.95985	1.1
97.02966	9.6
99.00885	27.3
99.04500	2.6
101.02447	37.7
111.00865	1.2
113.01714	0.8
113.02454	15.0
115.04010	8.2
116.05067	1.0
119.03500	1.3
123.04507	1.1
125.02439	21.0
127.03982	0.9
131.03516	11.7
142.06648	1.1
143.03542	5.7
143.06947	0.8
147.63449	0.6
149.04567	37.6
153.52089	0.6
159.03012	2.3
161.04564	33.2
167.03473	0.9
173.06158	1.1
188.05655	3.5
191.05646	12.5
201.10338	4.2
202.10701	5.7
203.08308	4.9
204.08591	3.6
221.06625	7.2
233.04564	0.9
233.06693	12.5
238.07744	0.6
242.51205	0.6
251.07802	4.9
260.11407	1.3
277.11411	0.7
290.07492	0.8
291.08777	2.8
293.08838	37.6
311.09927	16.6
331.11948	2.6
366.13968	2.8
392.15671	79.1
393.16107	0.9
407.14557	2.6
408.14941	18.1
417.13937	9.3
452.21820	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91380	0.1
54.09327	0.1
55.01877	0.1
55.96706	0.1
58.28076	0.1
59.01388	4.2
61.01813	0.1
61.39075	0.1
61.98837	100.0
63.99266	0.4
71.01385	2.1
72.99338	0.1
73.02958	0.7
82.03008	0.1
85.02952	0.5
89.02441	3.6
89.02959	0.2
91.50375	0.1
92.12334	0.1
95.01358	0.1
99.00863	1.1
101.02448	1.2
102.02794	0.1
111.08211	0.1
113.02484	0.6
116.05142	0.1
119.03519	0.6
120.99519	0.1
128.19490	0.1
131.03502	0.4
149.04585	0.9
161.04539	0.1
163.77112	0.1
184.11159	0.1
191.05675	0.2
251.07765	0.1
392.22995	0.1
393.17743	2.8
448.89948	0.1
451.17200	0.1
452.17264	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	11.5
60.01722	0.3
61.98833	100.0
64.33636	0.2
71.01385	1.1
72.01682	0.2
73.02946	0.2
78.53300	0.2
83.86217	0.2
85.02960	0.7
89.02459	0.7
97.55457	0.2
99.00887	0.2
101.02426	1.4
101.59461	0.1
113.02485	0.4
117.64566	0.2
119.03489	0.2
139.00862	0.2
161.04619	0.4
183.67618	0.2
188.27385	0.2
198.45313	0.1
204.12004	0.2
289.77310	0.2
391.23404	2.9
392.23666	3.7
416.16629	0.2
447.10175	0.2
447.49170	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82306	0.2
54.82780	0.2
59.01386	4.7
60.01724	0.3
61.98833	100.0
63.99260	0.2
71.01368	0.4
86.09866	0.2
89.02428	0.2
95.36154	0.2
96.96030	0.2
101.02456	0.2
107.30022	0.2
113.02464	0.2
121.02974	0.3
122.03268	0.2
123.04491	0.2
126.15604	0.2
138.06587	0.2
149.02505	0.3
165.05544	0.3
183.12581	0.2
197.06305	0.2
203.08231	0.2
213.05421	0.2
220.54974	0.2
224.04771	0.2
239.06963	0.3
240.04356	3.0
240.07487	0.4
241.04625	3.9
241.06572	0.2
242.05150	0.2
250.06161	0.2
253.05093	0.3
255.06474	0.7
256.07147	0.9
265.05005	0.2
266.05682	0.7
267.06467	1.3
268.07004	2.0
270.08755	0.4
271.09396	0.3
279.06375	0.3
282.08664	0.2
283.06122	1.6
284.06476	2.2
295.06177	2.7
295.09238	0.4
296.06467	5.1
298.08453	2.9
299.08832	5.2
310.08508	2.1
311.08865	3.4
313.10794	2.5
314.11224	5.6
314.14807	0.2
325.10925	1.3
326.11234	3.9
344.12650	0.3
361.12888	1.7
362.13339	5.3
373.13095	1.1
374.13284	4.9
389.18384	0.2
392.23380	0.3
422.34561	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27475	0.1
61.98824	0.2
62.96385	0.1
78.95907	20.6
93.20983	0.1
96.90327	0.1
104.97439	0.1
121.47978	0.1
121.85208	0.1
122.00131	1.2
122.98535	0.1
134.98534	0.3
140.01195	6.1
152.99576	1.7
166.02783	0.1
196.03818	8.8
197.48180	0.1
214.04868	1.7
237.22031	0.2
255.23320	100.0
256.23798	0.6
392.18488	0.1
436.41083	0.1
452.27890	25.8
453.28345	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	452.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00101	0.2
59.99880	0.3
61.98829	0.6
63.76707	0.2
78.95907	6.2
85.25945	0.3
105.76638	0.3
116.80666	0.3
116.92856	0.4
140.01212	1.9
140.43602	0.3
152.99608	0.6
160.57516	0.3
196.03821	1.2
214.04884	1.9
223.78616	0.3
237.22353	0.3
255.23315	100.0
256.23743	0.4
336.21747	0.3
393.19681	1.7
452.27866	11.0
474.06448	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1176
Annotation	Didymocalyxin A
Peak:m/z	Relative Intensity
58.02957	3.2
59.01155	2.8
59.01389	53.3
61.98594	3.5
61.98841	54.3
66.99866	2.9
69.03450	3.4
71.01377	26.8
73.02944	3.8
85.02925	7.9
88.98799	5.6
89.02445	55.4
92.11794	6.4
96.95993	6.6
97.02939	5.3
99.00843	5.5
101.02428	6.9
108.02172	14.3
113.02418	4.3
123.04512	7.8
125.02436	25.3
129.06676	4.8
131.03474	3.8
132.69858	3.2
133.01436	3.7
137.02405	4.2
149.04541	7.3
233.06644	13.8
243.13428	3.9
251.65080	3.2
293.08813	100.0
335.97565	3.4
357.17776	5.7
384.03503	4.1
417.14066	16.8
417.19952	13.7
453.11743	66.7
453.17850	6.2
453.24188	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	453.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04305	0.3
61.39148	0.3
61.74105	0.3
61.98844	0.3
71.01379	8.6
98.02483	0.4
99.00858	1.3
99.92577	31.0
100.93347	8.3
115.92071	100.0
116.11428	0.3
116.92853	67.7
117.92882	0.6
117.93645	0.3
123.90663	0.3
126.94942	0.5
132.92346	1.1
144.95961	1.2
154.94456	0.5
155.95177	0.4
172.95462	29.2
255.23454	0.4
279.23325	3.0
308.91913	0.3
314.11749	0.3
379.15918	1.1
395.15329	0.7
435.18341	0.7
453.19614	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75897	0.1
54.82464	0.1
59.01366	0.2
90.84367	0.1
92.65211	0.1
98.02480	0.1
99.00881	0.4
99.41061	0.1
99.91941	0.3
99.92577	6.3
100.93358	6.8
101.93375	0.1
113.92655	0.2
115.92073	100.0
116.92094	0.8
116.92848	7.2
120.65874	0.1
132.91461	0.1
132.92325	1.2
133.83331	0.1
142.94441	0.2
148.61797	0.1
155.95229	0.2
169.84677	0.2
172.95459	3.6
215.28717	0.2
277.21725	0.2
279.23367	0.3
294.34357	0.2
379.15991	0.6
393.14267	0.2
395.15143	0.2
405.17377	0.8
435.18701	1.3
453.19553	4.1
466.01431	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	453.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55252	0.3
55.01894	0.7
57.03456	1.0
58.00608	1.6
59.01394	100.0
60.01717	0.4
61.98836	3.0
63.00143	0.4
69.03461	0.8
71.01390	25.7
72.01743	0.4
72.99317	3.4
73.02954	19.4
75.00893	0.9
83.01411	2.6
85.02956	8.2
86.00105	0.9
87.00883	5.4
87.04517	2.4
89.02447	29.0
95.01412	0.5
95.42531	0.4
97.02940	0.5
101.02441	30.9
103.04011	12.6
113.02453	7.0
115.04034	4.4
119.03492	14.0
125.02431	0.9
127.04044	0.6
131.03511	8.0
143.03516	11.6
145.05098	4.5
151.12152	0.5
161.04599	0.7
163.06123	38.9
164.06537	0.5
166.02696	0.5
169.68913	0.4
179.05664	3.0
189.21043	0.4
205.07201	14.1
247.11955	2.1
265.09286	5.9
359.35739	0.5
393.17734	34.1
394.18167	1.8
410.04581	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06929	0.4
53.37536	0.3
54.10925	0.4
55.01884	0.9
56.38155	0.4
57.03458	1.1
58.00604	2.7
59.01385	78.7
61.98833	95.5
62.98552	0.5
63.99276	0.5
65.73490	0.4
71.01381	51.0
72.99307	2.0
73.02948	15.4
75.00887	0.8
76.61211	0.5
83.01389	2.6
85.02932	8.3
87.00864	2.1
89.02439	100.0
90.02769	1.0
95.01373	2.8
97.02944	1.0
99.00876	24.5
101.02435	33.2
113.02446	14.6
117.63248	0.5
119.03495	14.0
120.99612	0.9
125.02428	2.9
131.03496	11.2
143.03482	1.1
149.04552	35.9
161.04634	4.0
163.37251	0.5
165.01921	0.8
179.05573	5.3
191.05609	11.0
220.36142	0.5
221.06575	3.1
233.06584	0.9
238.24275	0.5
242.02834	0.5
251.07660	4.5
257.96552	0.5
261.13245	2.2
270.26169	0.5
293.08698	0.7
343.35464	0.6
393.17722	89.9
394.17648	3.1
453.17990	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46329	3.3
56.37733	3.8
59.01398	7.2
70.98365	3.4
71.01384	21.5
80.22861	3.6
81.91523	4.4
85.82748	3.8
89.37595	4.0
144.85574	4.1
153.26634	5.2
159.56703	4.6
201.00746	4.5
216.16322	4.5
255.23262	100.0
269.24963	5.5
279.23520	5.4
297.24374	5.9
324.61545	4.7
331.00943	4.8
377.10889	4.2
385.94464	4.5
427.65842	4.2
453.26099	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	453.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21422	56.7
52.52579	58.6
52.98941	58.2
59.01389	100.0
67.89476	69.6
94.35298	72.7
110.67902	75.3
148.33940	94.9
238.96805	81.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	66.3
61.98837	100.0
64.67590	53.3
94.10081	55.5
96.00175	56.1
105.23212	58.6
114.38571	72.6
116.92902	64.6
129.98624	57.3
287.87799	67.0
428.05801	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3378
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
54.83187	0.2
62.02124	0.3
62.07756	0.2
65.54617	0.3
73.13060	0.2
76.67850	0.3
140.12439	0.3
153.09221	0.5
191.57158	0.3
453.33792	100.0
454.33997	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	454.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82349	0.1
59.01388	4.5
59.44289	0.1
60.01725	0.2
61.00821	0.1
61.01817	0.2
61.98836	100.0
71.01377	1.8
72.29330	0.1
73.02931	0.9
85.02958	0.2
89.02442	2.6
92.12326	0.2
96.96050	0.1
99.00889	1.3
101.02424	1.1
113.02464	0.2
115.89657	0.1
116.05048	2.5
116.05717	0.1
119.03496	0.1
125.02499	0.2
131.03510	0.3
138.05675	0.1
149.04572	0.9
160.04060	2.1
161.04535	0.2
169.65318	0.1
170.08034	0.2
185.35895	0.1
189.33797	0.1
191.05733	0.3
202.05215	0.3
255.53714	0.1
393.18103	0.1
393.28549	0.2
394.18121	0.5
453.19995	0.5
454.13696	0.9
454.20432	1.7
454.26263	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82349	0.1
59.01388	4.5
59.44289	0.1
60.01725	0.2
61.00821	0.1
61.01817	0.2
61.98836	100.0
71.01377	1.8
72.29330	0.1
73.02931	0.9
85.02958	0.2
89.02442	2.6
92.12326	0.2
96.96050	0.1
99.00889	1.3
101.02424	1.1
113.02464	0.2
115.89657	0.1
116.05048	2.5
116.05717	0.1
119.03496	0.1
125.02499	0.2
131.03510	0.3
138.05675	0.1
149.04572	0.9
160.04060	2.1
161.04535	0.2
169.65318	0.1
170.08034	0.2
185.35895	0.1
189.33797	0.1
191.05733	0.3
202.05215	0.3
255.53714	0.1
393.18103	0.1
393.28549	0.2
394.18121	0.5
453.19995	0.5
454.13696	0.9
454.20432	1.7
454.26263	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96680	0.1
59.01382	0.8
61.98834	100.0
71.75842	0.1
77.17259	0.2
81.84087	0.2
100.43326	0.2
114.77128	0.2
115.05161	0.1
122.18535	0.1
122.27332	0.2
149.31264	0.1
161.58148	0.2
192.27553	0.1
218.32253	0.2
221.41641	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37444	0.1
59.01390	0.9
61.58590	0.1
61.98836	100.0
114.38628	0.2
138.60565	0.2
192.95712	0.2
241.12021	0.2
248.58324	0.2
413.42075	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06134	0.1
59.01386	0.6
61.98837	100.0
65.99983	0.1
71.01393	0.3
74.13509	0.1
89.02457	0.2
141.44415	0.1
180.73175	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	455.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48848	0.3
57.03447	0.4
57.23295	0.3
58.00597	0.4
59.01387	100.0
61.98835	6.2
68.99545	0.4
71.01383	6.6
73.02946	1.9
74.99073	0.4
83.01401	0.8
85.02953	2.8
89.02436	3.3
96.96031	0.9
99.00924	0.4
101.02450	8.7
113.02437	3.5
119.03505	5.2
124.74667	0.4
161.04567	1.7
205.84023	0.4
209.47270	0.4
243.19397	0.6
258.05347	0.5
260.06815	1.3
263.14883	3.6
273.07706	1.5
275.09216	5.2
287.09326	1.7
299.09430	0.9
395.19244	10.6
395.23795	0.6
447.80194	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41649	0.2
54.56491	0.2
58.90963	0.2
59.01379	2.5
59.98485	0.3
61.86187	0.3
61.98827	1.4
71.01374	1.8
73.02933	0.3
74.58303	0.2
75.33760	0.3
77.77971	0.2
84.95129	1.0
85.02928	1.1
87.00867	100.0
88.00406	0.4
88.01170	0.2
89.02427	0.5
99.00861	0.4
101.02442	1.9
108.51413	0.3
113.02454	1.1
131.92593	0.3
135.04558	0.9
143.48260	0.3
161.04552	1.0
161.50790	0.3
168.80267	0.3
182.24194	0.3
234.62796	0.3
235.11893	1.9
367.16168	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	455.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.6
61.98838	0.3
71.01393	1.2
72.99311	1.4
73.02949	0.2
75.00883	100.0
76.01225	0.2
78.95913	0.4
85.02957	0.4
88.47231	0.2
89.02464	2.2
96.96973	0.3
99.00889	0.4
101.02463	0.9
113.02450	0.3
119.03512	0.3
125.02484	0.3
128.03534	0.3
149.04573	0.8
164.07294	0.3
251.07762	0.2
379.16196	4.6
380.17010	0.2
423.88278	0.2
455.16815	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80322	0.1
54.52821	0.1
59.01384	0.2
63.53069	0.1
65.61800	0.1
67.13022	0.1
71.01352	0.2
80.98473	0.1
99.91940	0.3
99.92574	6.1
100.93351	6.5
115.92072	100.0
116.92077	1.7
116.92854	6.7
117.92459	0.2
125.43951	0.1
132.92400	1.0
153.09219	0.2
155.95233	0.2
172.95473	3.6
175.94885	0.1
281.24854	0.9
322.77155	0.1
381.17422	0.7
407.18939	0.7
413.19849	0.2
454.34164	15.7
455.15204	0.3
455.21106	5.3
455.34509	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	455.211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45787	0.2
52.48645	0.3
54.82805	0.2
57.79086	0.2
71.01038	0.5
71.01393	9.6
74.52029	0.3
84.93874	0.6
94.49733	0.3
99.92581	29.5
100.92675	0.7
100.93345	8.9
115.92072	100.0
116.37110	0.3
116.92855	65.8
117.92850	0.3
117.93626	0.3
126.94916	0.6
132.92336	1.1
135.95676	0.3
142.94426	0.4
144.96027	0.6
154.94495	0.3
161.62657	0.3
171.94768	0.3
172.95467	29.4
173.95584	0.6
279.23306	2.2
281.24902	3.4
381.17484	0.5
397.17056	1.3
454.34024	1.5
455.21140	6.9
455.34573	0.4
456.21042	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93924	0.2
55.01888	4.1
57.03456	2.2
58.00612	0.5
59.01387	58.2
61.98837	100.0
62.98546	1.0
62.99277	0.3
63.36707	0.3
69.03461	0.9
71.01385	22.6
72.99322	1.2
73.02950	12.7
73.32315	0.2
75.00873	0.3
83.01388	10.3
85.02950	14.6
85.03480	0.5
86.00112	0.4
87.00876	1.7
87.08144	0.4
89.02444	4.1
95.01386	1.4
96.96018	1.2
97.02956	1.2
99.00880	5.3
101.02440	39.4
103.04011	1.2
111.00932	0.5
113.02451	11.8
116.92859	0.6
119.03493	0.5
125.02433	1.9
128.03545	0.3
129.01974	0.5
130.08769	0.3
131.03468	0.3
143.03539	0.6
145.05077	0.4
157.08676	0.4
159.02986	2.2
161.04558	9.3
163.06189	0.4
205.03578	0.4
210.51227	0.3
213.50862	0.3
229.07181	0.3
247.08264	0.4
249.13458	41.7
250.13815	1.0
263.15024	0.4
280.07584	0.3
293.12634	0.4
395.19263	69.7
396.19705	1.9
453.04901	0.3
455.19211	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10326	0.4
50.95638	0.5
54.82968	0.4
55.01892	6.3
57.03446	3.7
59.01388	43.8
61.98833	9.4
64.34650	0.5
64.67378	0.5
69.03466	0.4
71.01385	42.5
72.99312	2.0
73.02947	22.7
74.99094	1.1
75.00864	1.0
76.92028	0.5
78.35210	0.4
78.95916	1.0
83.01392	10.2
85.02956	24.6
86.00106	2.0
87.00864	3.0
89.02444	10.3
95.01378	2.7
96.00891	0.8
96.96017	0.8
97.02950	2.5
99.00887	9.3
101.02444	44.9
108.02198	0.6
110.41591	0.5
111.00924	0.8
112.56756	0.5
112.98589	1.1
113.02455	19.1
113.03572	1.1
114.05594	3.7
115.04021	1.1
119.03485	0.6
125.02428	3.3
129.01927	0.9
131.03525	2.5
131.04636	2.1
136.99153	0.6
143.03506	2.4
150.05930	0.5
153.01956	2.4
158.00577	0.5
159.02982	3.8
161.04559	13.8
166.37430	0.5
171.10307	0.6
193.70392	0.6
208.25395	0.6
212.12259	0.5
239.13051	0.7
250.03200	0.6
263.15042	32.5
264.15302	0.7
395.19260	100.0
396.19849	4.4
396.44855	0.5
432.76627	0.6
455.19806	0.7
455.25342	1.1
475.55328	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34833	0.1
59.01383	1.6
61.77441	0.2
61.98824	0.2
67.55166	0.2
71.01366	0.2
87.53526	0.2
94.11104	0.2
103.91367	0.2
112.55901	0.2
276.69519	0.2
277.21701	0.4
316.60352	0.2
407.33182	1.7
455.35361	100.0
456.35681	5.1
477.31039	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02964	0.1
59.01381	0.8
61.98842	0.2
92.65579	0.2
101.02431	0.2
116.92860	0.2
125.15712	0.2
153.09235	0.7
197.90085	0.2
198.71590	0.2
227.20183	2.2
246.97621	0.2
292.18475	0.2
349.75238	0.2
451.49948	0.2
455.35391	100.0
456.35782	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	456.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.1
61.98841	100.0
62.79990	0.2
63.99264	0.4
66.06301	0.2
71.01382	0.5
76.56868	0.2
78.95942	0.3
79.35475	0.2
79.81901	0.2
89.02456	0.5
92.79453	0.2
93.81473	0.2
96.96014	6.8
96.96973	0.4
119.31067	0.3
128.03450	0.2
130.08772	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15836	0.1
58.05108	0.1
58.54042	0.1
59.01389	1.5
60.20124	0.1
61.98835	100.0
62.28866	0.1
71.01378	0.3
71.82227	0.1
73.29697	0.1
89.02440	0.3
96.95469	0.1
96.95980	1.1
101.02454	0.5
104.57787	0.1
125.02395	0.2
128.03546	0.2
385.08749	0.2
408.17139	0.1
456.20447	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51141	4.6
59.01386	74.3
60.42986	4.9
61.98827	11.8
64.60038	4.6
69.72120	5.0
73.16210	4.6
87.40807	4.5
90.56978	5.9
99.92557	10.5
108.30133	4.9
116.76828	5.7
116.92844	100.0
153.25175	5.6
163.64005	5.4
174.99246	26.6
190.87511	7.7
194.28586	5.4
217.00317	69.3
227.20184	9.5
228.20549	13.1
374.99265	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35338	4.4
59.01381	61.5
60.51130	4.5
61.98836	4.5
64.23080	4.3
71.01382	39.3
73.02983	4.6
75.07185	4.3
78.08758	4.3
83.01421	6.1
89.02441	58.8
92.12319	4.5
96.96006	100.0
96.96940	11.1
99.00843	6.3
99.86429	4.1
101.02444	9.8
113.02448	7.0
114.93403	7.8
125.02435	25.1
174.99231	4.5
193.53050	4.8
213.79637	4.7
217.00354	23.1
233.06717	9.4
242.01396	4.5
276.92966	5.1
293.08829	73.7
397.17139	6.3
421.13535	8.8
457.11438	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36042	0.4
57.03456	32.6
57.03743	1.0
59.01390	7.9
61.92759	0.4
61.98841	3.3
64.38055	0.4
72.31685	0.4
76.24551	0.4
81.03458	0.4
82.95403	0.5
89.02425	0.6
91.01892	7.1
93.03455	5.5
96.96046	0.9
99.04508	15.6
101.02443	4.6
101.32328	0.5
107.05015	1.9
108.86137	0.4
109.76489	0.5
114.93374	0.6
119.01372	3.1
121.02950	12.6
123.04533	0.6
125.02447	7.1
133.03023	0.5
137.02449	5.3
151.04008	100.0
152.04427	0.6
162.18909	0.4
217.00346	0.6
219.62279	0.5
281.06705	2.3
309.07693	0.6
312.35886	0.5
337.07327	0.8
457.12665	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06285	0.3
53.33847	0.3
53.51984	0.3
56.03598	0.4
59.01381	6.0
60.99010	0.6
60.99314	16.3
65.89732	0.3
71.01379	2.7
84.48240	0.5
87.00873	3.4
88.00393	1.9
88.01239	0.9
88.98804	100.0
89.02442	67.0
93.51965	0.5
101.02453	2.2
101.31002	0.5
108.35048	0.4
113.02455	0.9
119.03525	0.5
131.69537	0.4
133.01379	0.6
135.04533	0.7
153.67426	0.5
179.03476	0.6
235.11888	1.1
277.10922	0.5
367.16190	4.5
426.95248	0.5
457.17578	4.0
457.23233	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
57.03447	1.7
58.00588	0.8
59.01387	68.9
59.54932	0.6
60.99310	7.7
61.98817	0.8
66.89574	0.6
71.01382	32.8
72.49561	0.6
72.99310	1.4
73.02942	3.0
78.95876	0.8
80.29334	0.5
83.01391	1.4
85.02946	8.0
87.00894	1.0
88.98797	37.7
89.01886	1.5
89.02440	42.8
92.11749	1.9
93.15131	0.8
95.01354	2.9
96.96004	10.6
96.96967	1.0
99.00849	0.9
99.40309	0.7
101.02434	17.9
104.52745	0.7
108.88055	0.6
108.93725	1.5
109.02935	1.3
111.92199	0.6
113.02431	9.9
115.00370	7.0
119.03492	11.5
121.06561	2.5
123.08154	4.0
125.02403	0.9
129.25478	0.7
133.01445	10.9
135.04510	9.6
171.11804	4.6
179.03494	7.4
179.05629	1.3
189.12898	8.1
211.26691	0.7
211.66431	0.7
215.10675	1.1
220.37756	0.6
233.11884	2.6
263.72867	0.9
277.10788	7.0
293.12576	1.2
327.72729	0.8
329.44913	0.8
341.08798	3.6
395.03131	0.7
397.06247	0.9
421.20901	0.8
457.17224	100.0
458.17636	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	457.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48991	4.3
59.01393	100.0
59.96289	4.5
61.98836	36.0
62.77673	4.4
71.01372	27.5
73.02961	7.5
75.24094	4.0
85.02951	7.7
89.02448	9.0
92.11651	6.0
96.95989	5.3
101.02438	12.0
108.30008	4.6
111.77126	5.4
113.02489	7.6
174.99289	7.4
217.00385	24.5
374.98941	9.4
421.20810	79.2
457.18561	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
62.66536	0.6
94.99627	0.6
99.00882	1.3
99.92590	6.1
100.93366	5.9
104.33215	0.5
115.92078	100.0
116.92099	1.9
116.92876	6.7
117.45364	0.5
132.92342	0.7
140.56708	0.6
172.95512	3.7
457.22784	6.5
472.70560	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39229	0.4
54.82478	0.6
55.01885	1.0
57.03455	0.6
58.00598	2.6
59.01387	95.9
61.98836	1.3
71.01382	86.1
72.99316	3.0
73.02950	2.3
75.00864	0.8
83.01388	3.4
85.02948	8.3
87.00851	4.1
89.02440	100.0
90.91521	0.5
95.01378	2.7
101.02435	19.8
113.02449	16.8
119.03494	10.1
131.03494	2.5
141.01678	0.6
143.03458	3.7
149.04565	3.1
160.98741	0.5
161.04590	5.3
179.05615	20.8
277.21719	34.1
359.22049	2.7
403.40323	0.6
445.16022	0.6
456.35788	9.6
457.36111	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	457.3332
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
54.56495	0.5
59.01379	1.0
61.98830	1.1
63.05383	0.5
71.01368	0.4
76.26572	0.4
78.82504	0.4
87.04507	1.0
116.92844	0.7
130.44872	0.5
135.08186	4.5
150.06863	1.3
163.07660	100.0
164.08008	0.5
186.15971	0.5
263.20090	0.6
383.48102	0.6
442.31003	1.1
457.33334	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40903	0.4
59.01374	2.3
60.00908	65.6
61.98816	0.5
77.88377	0.5
89.54214	0.6
116.92856	5.1
132.40910	0.5
147.08154	3.0
149.09711	2.3
161.09705	0.9
163.11279	2.8
183.60220	0.6
187.11261	3.0
279.13849	1.2
280.14694	1.1
307.16922	0.9
309.22141	2.7
321.18301	0.7
337.21768	100.0
338.21927	1.0
371.70493	0.6
458.23798	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	459.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12911	0.6
53.90476	0.5
59.01109	0.8
59.01385	18.4
60.18366	0.6
61.98814	2.5
62.37836	0.7
63.80225	0.6
71.01378	3.9
73.02947	1.1
76.57986	0.6
77.03967	0.7
79.01874	1.0
81.03445	0.7
82.95394	2.9
83.01365	1.5
85.02927	1.2
89.02425	1.7
92.24603	0.7
94.92323	0.6
96.96004	13.9
98.95596	0.7
101.02425	2.7
112.14043	0.7
116.92850	12.1
116.97211	1.4
117.01994	0.8
119.05036	3.1
121.02945	1.4
121.22147	0.6
133.06624	0.9
135.04520	1.0
149.02461	1.7
155.10736	0.9
161.04668	1.1
161.06064	4.3
163.04022	6.1
163.11304	1.1
175.00298	0.7
175.86583	0.9
190.02687	3.4
191.03566	5.3
192.21689	0.8
194.27223	0.8
203.03532	3.3
204.04231	5.9
205.05075	90.1
206.05341	1.3
215.03505	3.5
217.05043	0.9
231.03065	1.1
233.04567	100.0
234.04889	1.3
245.04594	3.8
263.05670	3.0
339.08740	36.5
340.09244	1.3
353.08798	1.3
369.19406	0.7
423.22577	1.0
459.12994	54.0
460.12878	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55954	0.1
58.86958	0.2
59.01397	0.2
71.01393	0.4
73.02946	54.5
89.02452	0.8
99.00874	6.5
101.02428	0.2
111.31675	0.2
115.00408	0.3
116.07196	0.3
116.92850	0.9
117.01933	100.0
118.02296	0.3
118.05111	0.3
133.01372	0.6
187.22409	0.2
341.10916	0.3
342.11285	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.8
59.87091	0.2
70.85111	0.1
71.01382	0.8
73.02946	56.6
83.07590	0.2
88.98806	0.3
89.02440	0.4
99.00871	6.9
99.92593	0.4
116.91997	0.3
116.92856	11.0
117.01936	100.0
117.05604	0.7
117.92863	0.8
118.02258	0.3
119.03540	0.2
132.30087	0.2
265.09195	0.2
279.10846	0.8
324.72922	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96581	0.6
57.03443	0.9
59.01102	0.9
59.01383	15.0
61.06449	0.7
71.01382	11.6
72.00916	1.5
72.99305	6.3
73.02949	7.1
74.02455	1.5
75.00878	5.7
83.01389	2.8
85.02952	4.6
87.00877	22.6
88.04041	1.4
89.02445	3.1
92.12386	1.1
99.00880	2.9
101.02445	14.5
103.00364	3.6
103.03988	0.9
104.03551	8.4
105.01940	100.0
113.02441	3.0
116.92861	9.4
159.03024	1.3
161.04565	6.1
164.77747	0.7
183.06023	0.7
198.56447	0.7
221.10329	18.3
353.14590	53.4
353.18954	1.8
395.39517	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1878
Annotation	Dendromoniliside B
Peak:m/z	Relative Intensity
55.01885	1.9
56.31961	0.8
57.03461	15.5
58.00587	1.0
59.01112	1.1
59.01390	31.5
61.98825	3.5
68.22798	0.7
69.03439	4.4
71.00984	1.3
71.01382	39.6
72.65308	0.9
72.99306	6.6
73.02930	3.8
75.00452	1.7
75.00867	35.7
78.53390	0.9
83.01377	3.7
83.05025	6.3
85.02943	11.8
87.00872	13.8
87.04529	3.7
88.04030	1.0
89.02448	10.7
92.11766	1.0
93.03496	1.4
93.07068	1.3
95.01403	1.1
95.05029	10.2
96.00900	2.0
96.95985	2.2
97.02960	2.2
97.06542	1.2
99.00879	18.7
99.04512	4.3
101.02423	9.4
101.06100	1.2
107.05037	1.6
109.02931	6.1
109.06568	3.9
110.02471	5.0
111.00877	3.5
111.04519	3.8
111.08117	1.6
113.02453	1.1
113.06080	4.4
115.00302	1.4
115.03981	0.9
116.92850	11.6
117.01894	1.5
119.05025	1.0
121.06558	5.5
123.04484	1.6
123.08154	11.2
124.01617	1.4
125.06117	1.5
129.01924	23.1
131.03497	4.0
132.03072	1.1
135.04504	1.6
135.08212	1.1
137.06065	4.5
137.09758	1.3
139.04030	4.5
139.07622	5.6
141.01999	0.9
145.10217	1.3
147.04526	11.1
147.08266	1.1
149.02576	0.9
149.04541	1.4
151.04117	1.2
151.07651	1.1
153.09177	4.9
157.05058	4.1
159.03026	1.8
165.05603	1.3
168.00629	1.3
169.08643	1.1
169.10112	1.0
171.11807	10.6
177.04039	30.0
177.05576	1.6
177.09154	1.1
179.07051	1.0
180.50536	1.0
183.03011	5.4
187.11223	1.0
189.12856	6.5
191.05617	1.1
193.08769	1.2
195.05093	4.7
201.12880	4.0
207.13931	1.9
208.99237	1.9
237.07703	1.4
237.14981	12.3
253.14351	1.6
255.15791	1.0
281.13965	24.4
297.13486	22.7
299.15085	1.1
321.13763	1.1
336.84323	0.9
339.14316	1.3
351.14484	1.1
421.20831	4.6
441.19327	1.2
459.18835	100.0
460.19208	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	459.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49948	8.2
54.82929	11.7
57.44361	8.0
59.01382	75.6
61.98838	41.1
66.26729	8.3
66.65015	8.8
72.89223	7.9
96.95998	11.5
106.62351	8.8
116.92840	100.0
116.97255	9.9
117.92844	9.0
236.84550	11.7
297.55447	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78455	0.4
55.01892	1.2
55.19627	0.4
55.68665	0.4
57.03458	0.6
58.00597	3.9
59.01388	100.0
67.59841	0.5
71.01383	89.7
72.99311	3.6
73.02942	2.2
75.00858	0.6
83.01391	3.0
85.02956	7.4
87.00890	2.8
89.02442	96.1
95.01375	2.8
101.02441	19.9
103.78518	0.6
113.02448	15.2
116.92844	3.0
119.03494	10.1
123.28489	0.5
127.39356	0.4
131.03474	4.0
143.03529	3.9
149.04597	2.7
161.04573	5.8
179.04153	1.0
179.05638	20.1
238.58115	0.5
279.23309	29.5
300.95563	0.5
361.24002	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40995	0.3
53.55685	0.3
56.19647	0.3
59.01385	4.8
71.01385	3.5
72.00915	15.2
72.99331	0.3
73.02950	2.6
74.02480	17.8
75.00886	0.5
85.02961	0.4
86.02484	7.2
87.81077	0.3
88.04029	0.5
89.02438	5.1
101.02435	1.7
113.02454	1.7
116.92780	0.5
117.01936	2.7
118.05102	100.0
119.03510	7.7
133.01401	0.4
157.50189	0.3
179.05617	2.1
255.96487	0.3
329.86728	0.3
341.10910	10.5
342.11493	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.7
57.03436	0.5
59.01385	10.3
61.98822	0.7
66.53205	0.5
69.03441	2.1
71.01378	8.5
72.99319	0.4
73.02933	3.0
78.95858	0.4
81.03453	2.6
82.95415	15.4
83.01378	1.0
85.02933	5.0
85.37137	0.4
87.00891	0.5
87.04513	7.8
88.04058	0.8
89.02440	2.2
93.03438	1.0
95.01382	2.3
96.96022	0.9
97.02937	0.6
99.00897	0.5
101.02435	3.8
103.03995	0.7
108.02174	54.0
109.02951	46.5
109.96548	0.5
113.02427	0.8
116.92762	0.5
119.03469	0.9
121.02944	1.9
123.00875	1.9
125.02442	2.4
125.77837	0.4
128.03468	0.5
131.03505	11.2
133.01419	0.5
137.02469	0.6
142.23009	0.4
151.03978	0.5
152.01155	71.8
153.01936	15.9
163.04001	1.0
165.01968	1.0
197.02148	0.4
210.64870	0.5
218.10329	0.5
260.07184	2.0
333.90833	0.6
442.88324	0.6
461.13089	100.0
462.13586	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	461.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25993	0.2
52.01577	0.2
54.90055	0.2
57.03441	1.6
59.01389	5.0
61.33788	0.2
61.98826	0.4
64.95235	0.2
65.00330	0.5
69.03469	0.5
71.01379	3.4
73.02940	1.1
75.00865	1.7
81.03454	5.4
81.59907	0.3
83.01387	4.0
83.04427	0.2
85.02954	1.2
89.02432	3.3
92.12375	0.5
93.03429	0.4
94.65029	0.2
95.05028	1.4
96.95998	0.6
97.02943	0.6
98.95605	0.4
99.00890	0.4
101.02435	2.2
107.01379	0.6
109.02975	0.3
113.02447	0.5
119.03484	0.5
121.02905	0.3
123.04520	39.6
124.04825	0.3
125.02438	8.7
131.01357	0.3
133.01456	0.3
135.00879	0.6
135.04539	0.6
137.02449	0.5
139.04024	0.6
149.02452	1.3
151.00378	1.4
151.04008	1.3
161.04532	0.6
163.04018	1.4
166.02750	0.3
167.03496	100.0
168.03827	1.6
175.00363	1.4
179.03531	0.5
179.82756	0.2
181.05074	2.3
187.01308	0.2
191.03516	15.8
192.03772	0.3
193.05182	0.3
209.04559	5.6
221.04587	0.5
233.04617	1.5
239.96263	0.3
269.10266	1.3
293.08841	0.5
342.75800	0.3
353.07254	0.3
401.18103	1.3
415.16199	3.0
417.19421	0.3
429.10324	0.4
461.13031	34.7
462.13269	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1311
Annotation	Saccharumoside C
Peak:m/z	Relative Intensity
59.01374	2.5
59.46325	0.4
64.34718	0.4
71.01357	1.8
71.31099	0.4
71.49092	0.4
74.02482	0.6
75.00867	0.6
79.46548	0.4
89.02429	2.2
96.96004	0.5
101.02428	0.7
101.65780	0.4
108.01454	1.1
108.02174	32.2
109.02954	9.9
120.01283	0.5
123.04511	16.4
125.02460	1.0
135.03012	0.9
144.04536	1.1
150.29120	0.5
152.01155	89.6
153.01953	4.6
159.59346	0.5
167.03488	100.0
167.39226	0.4
168.03894	0.5
203.08241	0.8
219.07690	0.8
233.06622	1.6
247.82179	0.5
293.08862	3.6
333.58893	0.5
359.43726	0.5
461.13168	9.6
461.19913	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14472	0.2
59.01394	4.8
63.65509	0.2
71.01398	1.5
72.99320	1.5
75.00880	100.0
75.54518	0.2
76.01234	0.3
85.02953	0.3
87.00890	0.7
89.02453	1.3
90.34248	0.2
92.11737	0.5
96.95966	0.2
101.02446	1.2
102.98604	1.2
113.02446	0.3
113.07199	0.8
123.08188	0.3
143.94611	0.2
146.96863	0.2
155.08620	0.2
171.11794	0.3
179.05635	0.3
189.12804	0.2
207.62706	0.2
231.11520	0.3
274.55118	0.2
281.13934	1.7
283.05130	0.8
362.19037	1.0
390.18536	0.3
401.18597	0.4
417.19440	1.3
461.18268	5.6
462.18768	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99637	0.2
59.01108	0.5
59.01389	9.7
63.01799	0.3
71.01375	3.0
72.95657	0.3
72.99306	1.3
73.02956	0.3
73.86053	0.3
75.00873	100.0
76.01243	0.4
85.02924	0.4
87.00896	0.5
89.02447	2.3
92.12313	0.4
92.34232	0.3
96.96024	0.4
101.02464	1.4
102.98602	1.9
110.88239	0.3
113.02452	0.4
113.07240	1.3
119.03487	1.2
140.69478	0.3
161.04626	0.4
179.05643	0.6
235.10060	0.4
237.14980	0.7
249.49149	0.3
275.95490	0.3
281.13965	3.4
283.05063	1.6
292.67053	0.3
362.18845	1.3
369.66473	0.3
390.18515	0.4
414.16330	0.3
417.19620	2.0
461.18414	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	461.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48026	0.4
55.01885	2.6
57.03455	0.8
58.00619	0.7
59.01388	100.0
61.98837	2.7
62.81993	0.4
62.99495	0.4
71.01382	26.3
71.05064	0.4
72.99326	0.9
73.02950	8.2
73.14499	0.4
74.78598	0.5
78.98019	0.4
83.01406	4.3
85.02957	12.2
87.00880	1.1
88.98815	0.9
89.02449	12.7
95.01400	1.2
96.96059	0.5
97.02982	1.1
99.00930	2.8
101.02442	21.4
101.03072	0.9
113.02457	11.8
113.03175	0.8
119.03493	4.4
142.35429	0.5
143.03467	1.8
159.03046	2.2
161.04562	12.0
176.01231	2.0
179.05734	0.8
191.03632	0.7
191.14459	1.9
205.03688	0.5
338.83340	0.5
340.35873	0.5
353.19717	4.5
365.19733	28.7
383.20782	21.2
401.21860	14.1
404.91537	0.6
457.32208	0.6
461.24625	0.8
479.98209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66297	0.5
53.39950	0.6
54.82497	0.6
55.01884	1.0
57.03437	0.6
58.00594	2.8
59.01390	100.0
61.26256	0.7
61.98821	0.7
71.01387	91.4
72.99310	4.5
73.02939	2.8
75.87865	0.7
83.01404	2.5
83.62857	0.6
85.02944	7.7
87.00864	1.8
89.02446	89.6
95.01385	3.8
101.02449	15.1
110.53909	0.7
113.02445	13.3
119.03509	8.7
131.03474	1.7
142.78386	0.9
143.03473	1.4
147.71252	0.9
149.04562	1.6
161.04552	4.4
179.05634	15.7
191.36954	0.7
197.26828	0.7
232.54733	0.8
281.24872	27.5
282.25262	1.1
363.25385	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67787	0.4
55.01895	0.7
56.86555	0.4
58.00583	0.5
59.01396	100.0
61.98849	2.1
65.73889	0.4
71.01392	11.0
73.02947	3.6
78.95922	0.5
83.01398	0.9
85.02973	4.3
89.02457	8.1
92.65446	0.5
96.96027	3.8
99.00887	1.0
101.02439	7.3
107.56117	0.5
113.02474	4.0
119.03529	3.4
120.99641	7.5
121.02975	2.7
122.03746	10.7
124.01713	0.9
125.02478	0.7
133.05119	2.0
134.03751	1.9
136.01660	1.0
137.02481	0.7
139.00385	0.7
149.06078	4.1
152.04802	81.2
154.02832	2.1
159.02933	0.7
160.57336	0.5
161.04578	9.7
161.05652	0.5
161.09926	0.6
161.95845	0.5
163.04132	0.8
167.03603	3.4
167.07140	95.1
179.05646	2.0
206.05904	4.1
210.17915	0.5
221.08333	0.8
226.05009	0.9
235.08295	6.3
241.07368	0.8
241.14508	5.1
250.04878	0.7
265.07251	6.0
386.58389	0.5
403.15955	8.3
427.12527	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.211
Annotation	Garciniaxanthone E
Peak:m/z	Relative Intensity
54.45828	0.4
59.01149	0.4
59.01397	5.2
61.98835	5.2
63.65582	0.4
66.92125	0.5
78.95903	63.6
96.96952	7.6
99.99883	0.5
115.89394	0.5
123.19254	0.6
150.98021	2.3
152.99597	100.0
154.00006	0.5
159.92911	0.5
171.00633	3.4
199.13437	0.7
217.00343	2.5
224.28799	0.5
245.02631	1.1
285.05640	0.9
309.20761	0.6
311.22333	2.0
329.23331	6.9
403.15857	2.8
463.21054	18.5
464.13110	0.5
464.21045	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09366	0.2
54.81972	0.3
59.01382	5.1
61.98833	1.3
71.01379	2.0
72.99308	1.0
73.02958	0.5
75.00868	100.0
76.01193	0.5
82.58171	0.2
82.97611	0.3
85.02934	0.4
85.48765	0.3
87.00884	1.2
88.04063	0.2
89.02447	1.5
89.04391	0.3
96.95997	0.4
99.00887	0.5
101.02436	1.5
102.98598	0.3
113.02438	0.5
114.34204	0.2
138.06888	0.3
149.04756	0.3
153.09189	0.6
189.12161	0.3
241.14398	2.1
247.13463	0.4
311.08371	0.3
403.19724	4.3
463.21930	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58857	0.2
54.83049	0.3
57.03451	1.1
58.00612	0.5
59.01389	100.0
60.39688	0.2
61.98505	0.2
61.98590	0.2
61.98836	10.2
71.01384	14.2
71.01756	0.6
72.99320	0.6
73.02964	0.5
74.90215	0.3
81.72400	0.2
83.01392	0.3
85.02946	3.2
87.00890	0.6
89.02444	22.7
91.39314	0.2
95.01391	0.7
96.96026	1.5
101.02443	6.2
109.02974	0.4
113.02456	6.2
114.39708	0.3
119.03491	8.3
130.08743	1.5
131.03525	0.5
140.10887	0.3
143.03551	1.4
149.04608	1.2
150.07011	0.3
152.08099	0.4
161.04659	2.1
165.09201	3.8
166.80962	0.3
179.05626	8.1
180.06058	0.3
197.08846	0.3
200.93326	0.3
241.14561	0.5
281.92731	0.3
290.30606	0.3
304.98685	0.3
403.19684	2.7
433.60461	0.3
463.12619	0.3
463.22241	1.6
467.56580	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.5
57.03454	6.1
58.00603	0.8
59.01387	41.8
61.98822	0.7
63.36181	0.3
69.03455	20.6
71.00983	0.6
71.01376	16.0
73.02927	4.1
74.02492	0.5
83.01369	0.7
85.02944	9.5
87.00877	0.4
87.04501	4.8
89.02439	12.4
92.11768	0.4
95.01367	0.8
95.05006	0.6
96.95978	0.9
97.02932	0.6
99.00848	0.8
101.02433	6.7
109.06596	0.6
111.04494	0.7
113.02435	5.2
119.03486	3.2
131.03433	0.4
131.40926	0.4
136.05246	0.4
137.09685	0.4
138.06853	11.0
143.03528	0.8
153.09207	26.0
154.09584	0.5
155.10834	0.4
161.04556	5.3
163.11298	0.7
179.05563	5.8
205.12346	2.2
211.13348	0.5
215.41852	0.4
223.13345	2.2
241.14449	100.0
242.14810	1.9
403.19803	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
55.01887	0.7
57.03456	6.5
59.01392	64.7
71.01385	29.1
72.99323	0.9
73.02934	2.0
75.00880	0.8
81.03458	0.5
83.01398	1.2
85.02945	7.8
87.00872	1.0
89.02443	34.9
95.01365	1.0
96.95995	1.2
101.02428	16.0
102.33687	0.5
109.06563	1.1
113.01698	0.9
113.02442	13.5
113.03205	0.6
119.03488	15.3
123.04482	1.1
123.08162	3.6
124.05293	3.8
131.03419	0.5
136.05264	1.1
139.07655	30.4
143.03557	1.0
147.08177	0.6
151.07649	11.1
151.11295	1.0
153.09155	0.7
161.04512	2.2
161.09729	2.0
163.07591	0.7
163.11275	3.1
165.09166	1.1
169.08623	0.7
177.50812	0.6
179.05612	5.9
179.10791	8.8
187.11330	0.6
193.12323	7.7
203.10750	2.8
205.12392	4.3
211.13469	3.0
221.11804	2.6
223.13422	9.3
241.14459	38.4
278.00739	0.6
283.73499	0.6
343.24063	0.5
403.19775	100.0
404.20169	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64829	0.5
55.01883	1.0
57.03445	1.2
58.00592	0.5
59.01387	29.3
60.99313	0.6
61.98822	2.0
62.66751	0.4
69.03460	0.9
71.01385	13.7
71.05015	0.7
72.99309	7.5
73.02946	0.8
73.16614	0.4
83.01386	2.0
85.02932	4.4
87.00895	0.8
88.98802	8.3
89.02444	17.9
91.14625	0.5
95.01382	1.0
96.24978	0.5
96.80386	0.4
101.02449	8.3
111.83250	0.5
113.02439	4.8
119.03488	2.5
181.16043	1.1
203.14412	0.8
217.00298	0.9
218.19774	0.5
221.19118	1.0
237.18631	4.2
239.14401	3.1
239.20247	0.9
265.18039	4.8
283.19177	34.1
285.20740	11.2
301.20181	2.8
393.66443	0.6
427.19836	2.1
463.25562	100.0
464.26010	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.8
57.03460	0.8
58.00599	0.8
59.01385	30.8
61.98830	1.0
69.03447	0.7
71.01381	13.8
72.99295	7.1
73.02930	0.9
75.00877	0.4
83.01379	1.1
85.02947	3.5
89.02435	10.8
95.01383	0.9
101.02441	8.5
113.02428	4.8
119.03510	1.5
119.61700	0.4
129.79138	0.4
167.14406	0.7
173.06061	0.9
187.07607	3.1
195.17619	0.6
199.07745	0.6
215.10838	0.6
221.19153	0.8
237.18549	4.0
255.10152	0.8
265.18073	4.0
269.11804	3.7
270.12875	0.5
271.13437	4.0
283.19150	32.9
285.20728	11.5
301.20316	2.3
427.19742	0.8
463.19672	38.5
463.25616	100.0
464.19937	2.6
464.25961	1.6
481.90503	0.5
482.19302	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09377	0.1
58.73412	0.1
59.01385	1.2
61.98834	100.0
71.01387	0.5
73.02942	0.2
75.14068	0.1
85.02963	0.2
86.03315	0.1
95.30513	0.1
101.02420	0.4
101.68218	0.1
104.91965	0.1
115.57992	0.1
403.15079	0.2
403.19955	0.3
404.15472	0.4
404.20242	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	9.6
59.01107	0.8
59.01387	14.3
60.01733	0.7
61.98832	3.5
71.01376	1.0
74.77899	0.6
79.69356	0.6
83.01383	0.6
85.02943	1.3
88.04026	2.9
88.98798	0.7
89.02450	2.4
92.05051	10.2
96.96006	3.8
101.02395	0.8
102.01556	0.6
102.05605	3.3
119.03497	1.0
122.02435	1.1
127.99023	0.6
128.03511	9.0
138.71066	0.7
141.34860	0.7
145.07715	0.7
146.04597	4.9
147.05644	14.3
147.09276	1.1
161.03525	0.9
161.07362	0.7
173.07184	3.0
175.08757	1.4
176.09544	1.0
177.10278	1.4
178.13481	1.4
189.10385	1.5
203.08282	0.9
204.11417	2.5
206.12914	1.0
216.07994	0.8
232.10881	8.5
247.07253	1.3
247.11865	0.8
250.12065	3.2
256.00674	0.7
258.12317	1.2
259.11420	0.8
275.11594	0.9
276.09903	35.5
289.16794	0.7
302.11407	2.8
315.14667	1.0
317.16211	0.9
318.14539	1.3
333.15631	2.7
335.17474	0.8
361.15164	3.6
387.13132	3.1
405.14191	100.0
406.14481	4.4
428.15875	1.2
430.23712	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07760	1.9
53.18171	1.8
53.43750	2.1
55.47073	2.4
59.01384	24.7
61.98835	3.7
64.86218	2.0
66.72768	2.8
68.82262	2.3
70.03530	2.0
73.02942	2.5
73.28931	2.2
75.00869	100.0
82.56689	2.3
88.18917	2.5
89.02465	9.9
91.68715	2.6
101.02435	3.4
110.73475	2.7
113.02394	3.0
119.03503	2.7
125.02457	9.7
135.04524	12.2
151.04056	3.3
185.23358	2.3
193.11530	3.2
236.17690	2.3
303.08838	2.9
305.85315	2.6
405.21716	18.1
465.09860	2.9
465.15448	20.7
465.21246	8.6
481.09189	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	465.177
Annotation	3',5-Dihydroxy-3,4,4'-trimethoxybibenzyl-5-O-glucoside
Peak:m/z	Relative Intensity
55.01876	0.8
57.03444	0.8
58.00600	0.6
59.01388	41.4
59.19274	0.5
59.95679	0.4
61.98823	0.9
71.01385	17.1
72.99281	2.2
73.02940	2.1
75.00909	0.4
79.26445	0.4
83.01367	2.5
85.02946	6.0
87.04465	0.6
89.02439	14.1
92.11766	0.5
95.01382	2.0
99.00867	0.4
101.02445	10.8
113.02457	5.7
113.03590	0.5
113.26640	0.5
119.03468	3.8
128.03593	0.4
149.02373	0.5
150.03185	2.9
156.43349	0.4
164.07242	0.7
165.05553	2.5
171.08157	13.7
172.05296	0.8
186.06879	3.9
187.07617	6.3
189.05560	2.5
189.09241	5.6
195.06612	0.9
198.10519	0.6
211.07692	5.1
224.21590	0.5
226.10001	2.4
233.41049	0.4
241.12315	6.7
246.83011	0.4
259.13300	3.5
270.08801	0.6
285.11346	50.9
286.11856	0.6
303.12372	9.7
303.16016	2.5
429.21475	0.5
430.14291	3.0
447.16898	0.6
464.25955	1.0
465.17673	100.0
465.26755	8.2
466.18176	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	465.2134
Annotation	CARDIVIN C
Peak:m/z	Relative Intensity
55.01867	0.6
57.03434	1.3
59.01113	0.3
59.01384	5.8
60.99299	0.6
61.98825	0.6
69.80642	0.3
70.54519	0.2
71.01385	5.6
71.77226	0.2
73.02947	6.8
73.92055	0.2
83.01366	1.1
85.02940	4.2
86.01923	0.3
87.35610	0.3
89.02415	1.4
92.12350	0.6
95.01344	0.4
99.00848	0.7
99.04511	0.5
101.02441	4.2
113.02455	2.0
137.05716	0.3
155.00909	0.3
160.08922	0.7
161.04611	0.3
162.06874	0.5
173.09692	3.3
190.10728	0.3
192.07910	0.6
192.42661	0.3
223.11359	0.5
225.12813	1.3
231.10307	0.4
239.14388	3.0
241.15996	100.0
242.16351	2.2
247.11017	0.4
247.13435	8.3
257.15393	1.2
259.17023	0.7
285.14944	1.5
292.02640	0.4
303.12970	0.8
303.16055	22.3
303.21857	1.5
304.16299	0.5
341.06854	0.4
465.21344	90.8
465.27216	14.5
466.21616	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	465.226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08434	0.4
58.71852	0.5
61.98831	2.4
64.34513	0.4
78.95900	92.9
91.89183	0.5
96.96954	7.7
97.98602	0.4
100.27840	0.5
100.89563	0.5
101.76009	0.4
150.98000	2.4
152.99586	100.0
171.00630	2.5
209.89240	0.6
271.51697	0.5
311.22357	2.2
465.14761	2.3
465.22614	30.5
466.22919	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2263
Annotation	Isofissistin
Peak:m/z	Relative Intensity
54.25513	0.3
55.18545	0.2
59.01373	0.4
61.98830	2.5
78.95899	100.0
93.88830	0.3
96.96963	5.9
127.94068	0.3
136.05243	0.3
152.98332	0.6
152.99583	16.0
171.00633	28.5
268.10876	0.3
285.12534	0.7
347.93924	0.3
373.17859	0.7
389.90317	0.3
426.04437	0.3
465.14584	4.7
465.22546	30.3
466.22739	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64872	0.2
55.39643	0.2
56.74051	0.2
59.01366	0.3
61.98824	1.5
62.50919	0.2
63.90864	0.2
76.90557	0.2
78.95896	64.1
96.95989	0.5
96.96950	8.1
97.91541	0.2
150.97998	3.0
152.99580	100.0
153.99884	0.4
171.00624	3.8
190.81999	0.2
204.12006	0.3
213.73111	0.3
215.16310	0.2
311.22293	0.6
465.16013	0.6
465.22595	19.6
466.22891	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.5
57.03456	3.1
58.00607	1.3
59.01386	91.5
61.98830	1.4
69.03449	0.4
71.01381	34.7
71.05038	1.7
72.99306	2.1
73.02945	3.9
74.20384	0.3
75.23209	0.3
75.71797	0.3
81.03468	0.6
83.01382	3.6
84.02179	1.6
84.95128	0.6
85.02949	9.9
87.00886	1.8
89.02441	39.2
92.10563	0.3
92.11668	0.3
95.01376	2.7
95.05048	0.4
97.02965	3.5
98.03709	0.4
99.00880	1.3
99.04541	0.7
101.02439	21.5
101.06084	6.9
108.02213	0.5
112.80426	0.3
113.02451	16.0
119.03494	16.2
121.03020	0.5
122.03729	0.6
123.04516	0.6
123.08158	7.8
125.02467	0.5
125.06086	2.7
131.03520	1.4
137.02484	1.6
138.06892	1.9
139.04045	0.5
139.07655	2.7
141.09221	27.2
143.03500	2.4
146.44437	0.3
148.01711	0.4
149.02467	0.6
149.04565	0.7
151.11302	0.8
153.09222	1.6
153.12917	0.4
159.02994	0.4
161.04555	4.9
163.03966	0.4
163.11441	0.5
165.01920	0.5
165.09302	0.4
179.05626	5.8
181.12341	5.3
195.13864	2.4
201.05666	0.5
204.04341	0.4
205.12416	0.8
207.13954	0.7
220.07484	2.0
223.13402	0.5
225.14972	4.3
235.09868	0.8
241.14468	0.5
243.16016	25.9
244.07523	1.8
244.16420	0.5
285.07663	1.4
303.08771	9.6
304.09076	0.6
327.08881	0.6
405.21332	100.0
406.21713	3.0
465.14130	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17360	0.6
51.57576	0.5
53.30029	0.6
57.03457	10.7
58.00605	1.3
59.01390	100.0
61.98837	15.3
69.03461	3.6
71.01391	31.8
71.01804	0.7
72.99289	0.9
73.02958	3.2
73.77939	0.6
78.95911	1.4
83.01415	1.0
85.02956	8.6
87.00890	1.2
89.02450	41.0
95.01376	1.3
96.96014	33.3
96.96926	4.9
98.95592	0.8
101.02444	17.6
110.49867	0.6
112.05346	1.4
113.02455	13.4
119.03497	15.3
125.02427	0.7
131.03519	1.0
133.01460	1.0
134.07381	3.1
137.09767	0.8
143.03499	4.0
149.09723	26.1
161.04564	6.4
167.09320	1.3
167.10762	32.5
179.05627	19.0
186.77592	0.7
193.05072	0.9
207.13892	1.3
225.14970	6.5
233.57236	0.6
243.16020	15.2
299.55319	0.8
303.08548	0.8
321.19232	0.7
327.09225	0.7
405.13751	1.0
405.15988	0.9
405.21420	19.4
406.22156	0.8
428.15549	0.8
440.15335	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08190	1.0
56.90553	0.9
57.03435	3.9
58.00581	1.4
59.01384	100.0
61.98540	1.4
61.98833	29.0
64.13129	0.9
68.99565	7.8
71.01379	40.0
71.05003	1.0
72.99294	4.9
73.02927	6.6
78.95916	1.4
83.01383	2.5
83.73789	1.0
84.32061	1.1
84.95084	1.0
85.02931	12.3
87.00832	1.5
89.01887	1.5
89.02435	43.1
90.46490	0.8
95.01373	1.6
95.05029	1.2
96.95989	1.4
96.97017	1.0
97.02927	5.8
97.06615	1.3
97.80981	1.0
99.00907	1.5
99.04487	1.5
101.02431	28.6
101.06035	4.8
103.48429	1.1
111.89255	1.1
112.98544	8.2
113.02448	19.3
119.03498	14.3
121.02942	1.7
122.03698	1.7
123.08156	7.6
125.02442	1.3
125.06072	1.7
137.02411	5.2
138.03212	1.1
138.06859	1.4
139.07579	1.2
141.09216	26.3
143.03502	2.0
151.88565	1.2
161.04553	7.5
165.01942	2.1
175.37088	1.1
179.05571	4.6
181.12335	7.1
195.07997	1.3
195.13916	1.7
202.06305	1.1
204.04256	1.5
211.07730	1.9
220.07449	1.7
223.07643	5.9
225.14977	4.6
235.09845	1.3
239.06976	1.4
241.08678	3.8
243.16011	26.4
244.16304	1.3
252.71100	1.2
257.08176	11.0
259.09680	1.8
267.06625	1.9
285.07660	8.8
303.08774	32.9
328.85068	1.1
393.13303	1.3
405.21301	93.4
406.21893	2.2
448.75241	1.2
465.14020	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2649
Annotation	Ramiflorine A
Peak:m/z	Relative Intensity
61.98837	1.0
66.57068	0.4
69.77438	0.4
78.95890	3.5
84.95113	1.0
95.54036	0.4
96.96004	0.7
116.92887	0.4
117.03461	24.3
119.05021	55.6
121.02958	0.7
137.15170	0.4
145.02959	100.0
152.99583	3.1
163.04034	9.4
180.86131	0.5
187.92386	0.5
287.20273	1.0
317.21173	1.0
343.06757	0.6
418.57007	0.5
465.26538	85.0
466.27097	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	465.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.5
57.03450	1.5
59.01113	0.9
59.01392	24.2
61.98845	6.1
62.14882	0.7
66.22941	0.6
71.01389	13.1
72.99316	1.3
73.02934	4.3
76.62674	0.7
83.01379	2.9
85.02963	6.2
89.02444	7.1
99.00887	1.0
101.02454	11.5
109.96700	0.7
113.02458	5.1
119.03442	1.0
161.04640	0.9
202.02724	3.9
257.21240	2.7
285.20621	1.4
303.16113	6.9
303.21805	6.7
407.22507	0.8
429.21069	2.9
447.25873	1.2
448.99078	0.9
465.27069	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.0
61.98846	100.0
62.98549	0.1
68.17854	0.1
71.01389	0.5
72.01731	0.1
89.02455	0.1
101.02447	0.1
109.02963	0.2
113.02470	0.1
114.40485	0.1
118.69951	0.1
119.03458	0.2
123.29695	0.1
151.00366	0.1
154.00961	0.1
193.12289	0.1
205.12399	0.2
268.85101	0.1
277.49484	0.1
325.29745	0.1
351.84119	0.1
379.12448	0.3
405.20493	0.2
406.21399	0.4
406.28201	0.2
466.19574	0.2
468.59058	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	466.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.4
61.98836	100.0
65.34288	0.1
68.99571	1.5
71.01392	0.8
73.02948	0.2
74.02425	0.1
85.02940	0.2
89.02452	0.7
96.96026	0.2
101.02450	0.4
112.98563	1.1
113.02465	0.3
119.03495	0.1
119.40659	0.1
125.02526	0.3
154.09587	0.2
241.14441	0.2
242.14960	0.5
243.15262	0.2
304.05209	0.2
324.83649	0.1
406.21411	0.2
407.22943	0.7
434.57343	0.1
487.20117	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	466.193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.3
59.01386	9.0
60.01725	0.5
61.98832	100.0
63.99260	0.4
71.01382	2.4
71.40791	0.2
73.02958	0.4
74.02470	0.2
75.24364	0.2
78.14732	0.2
84.24615	0.2
85.02947	0.9
87.00903	0.5
89.02425	2.7
93.38653	0.2
96.95998	2.1
99.04506	0.3
100.44979	0.2
101.02400	2.0
113.02469	0.3
119.03511	1.2
120.03763	0.2
125.09698	0.3
134.03746	1.5
135.04054	0.5
178.02753	0.9
179.03127	0.2
179.05420	0.4
193.05031	3.2
194.05469	1.5
200.14006	0.2
214.67705	0.2
289.04306	0.3
401.13092	0.3
405.21576	1.4
406.21677	3.2
429.14319	0.4
430.14453	0.7
431.16101	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	9.8
61.98818	0.9
67.52987	0.7
69.03456	3.3
69.71185	0.5
71.01392	1.5
76.75421	0.6
90.17726	0.6
90.19917	0.7
93.50597	0.7
96.96004	0.8
97.02946	8.3
116.92801	1.5
120.44236	0.7
174.99287	3.1
175.87154	0.7
189.97980	1.2
227.99571	3.8
239.02391	2.5
241.00211	0.7
254.01166	2.6
258.00574	0.9
262.11984	0.8
267.01855	4.0
267.05359	1.2
273.59003	0.7
295.05032	6.0
295.08258	0.8
296.05673	0.9
298.07501	3.1
309.06693	1.1
309.10202	2.7
310.07419	3.2
311.07855	2.3
312.08936	3.2
337.09717	2.6
338.10495	100.0
339.10849	1.2
365.16580	0.7
382.50003	0.8
407.17554	22.9
441.69180	0.7
467.24866	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25926	0.5
56.88021	0.5
56.92340	0.4
57.03448	0.7
58.00591	0.8
59.01387	100.0
59.34061	0.5
64.67323	0.5
66.41019	0.5
69.03460	1.2
71.01384	31.7
72.99313	2.4
73.02944	21.1
75.00891	0.9
81.71119	0.5
83.01385	2.8
85.02955	11.5
86.00067	1.1
87.00876	6.9
87.04507	3.4
89.02439	28.0
98.15117	0.5
100.60474	0.7
101.02439	30.4
103.04008	12.0
113.02437	6.4
115.04015	7.0
119.03501	8.3
121.17191	0.5
122.65918	0.6
125.02419	1.3
127.03990	0.6
131.03494	10.2
132.00406	0.5
143.03499	12.8
145.05077	4.9
157.36349	0.6
163.06139	42.3
176.01178	3.0
179.05580	1.3
191.03494	1.2
205.07202	15.9
209.85321	0.5
218.14624	0.6
237.19319	0.6
261.13400	1.3
265.09302	4.0
287.12897	2.5
310.74084	0.6
407.19278	28.1
467.06778	1.0
467.19696	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	467.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	19.1
61.98821	23.3
71.01383	17.5
72.36391	15.1
75.00854	60.4
78.95885	24.5
82.95409	22.9
84.42841	12.2
90.66783	12.3
99.00892	13.3
102.09180	12.8
111.00930	14.7
121.02959	16.9
129.20456	11.9
135.03008	66.0
147.04585	15.3
152.99594	59.7
161.06140	13.0
181.00380	17.2
233.98692	15.5
277.21710	27.9
305.21304	20.4
316.56088	17.2
327.20132	15.2
331.19107	85.3
342.02380	16.3
345.20795	63.6
349.20383	24.2
371.18588	100.0
401.24710	14.8
413.19675	16.0
429.78693	13.0
431.21042	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.242
Annotation	12-O-Benzoylisolineolon
Peak:m/z	Relative Intensity
56.92044	0.4
59.01382	3.8
59.47021	0.4
61.34877	0.4
61.98840	0.5
63.45167	0.4
74.41223	0.4
77.33201	0.5
78.95900	9.5
95.48376	0.5
96.96922	1.8
117.51642	0.5
117.55957	0.5
123.93930	0.5
146.99347	0.5
152.99597	16.1
165.11542	0.5
171.00670	0.9
172.31633	0.6
227.03299	2.8
236.30023	0.6
239.20186	100.0
240.20654	1.7
245.04436	0.7
365.19623	0.5
367.30994	0.6
399.83838	0.5
467.24149	32.3
468.24280	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
57.03453	1.2
58.00600	1.0
59.01387	95.9
59.45119	0.6
60.01715	0.8
60.99277	0.6
61.98835	25.9
64.34503	0.5
69.03455	0.8
71.01382	40.8
72.99299	2.8
73.02966	4.0
73.04077	1.3
74.02480	2.2
78.95910	2.6
82.61884	0.5
82.95448	0.5
83.01382	2.3
84.95110	4.4
85.02943	9.3
86.60266	0.6
87.00872	1.0
87.23844	0.6
89.02441	46.9
92.12370	1.3
94.69382	0.6
95.01383	1.0
96.96043	0.9
98.02443	0.6
99.00871	3.1
101.02432	23.1
113.02451	16.4
115.05130	3.9
116.92857	0.7
117.01962	0.7
119.03489	17.5
125.02436	1.2
130.08714	1.0
131.03531	0.6
134.03787	0.8
141.09250	1.1
143.03532	1.4
149.04581	2.2
153.40414	0.6
161.04553	4.4
173.99747	0.5
179.05592	7.0
187.10909	1.0
193.05087	3.8
200.14104	2.4
200.50497	0.6
243.15936	0.7
245.17627	5.0
250.00545	0.6
343.16248	2.5
387.19009	4.1
390.60803	0.6
407.22882	100.0
408.23154	4.6
425.49088	0.6
429.13971	0.8
431.15616	8.6
431.21506	3.0
432.15497	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
57.03453	1.2
58.00600	1.0
59.01387	95.9
59.45119	0.6
60.01715	0.8
60.99277	0.6
61.98835	25.9
64.34503	0.5
69.03455	0.8
71.01382	40.8
72.99299	2.8
73.02966	4.0
73.04077	1.3
74.02480	2.2
78.95910	2.6
82.61884	0.5
82.95448	0.5
83.01382	2.3
84.95110	4.4
85.02943	9.3
86.60266	0.6
87.00872	1.0
87.23844	0.6
89.02441	46.9
92.12370	1.3
94.69382	0.6
95.01383	1.0
96.96043	0.9
98.02443	0.6
99.00871	3.1
101.02432	23.1
113.02451	16.4
115.05130	3.9
116.92857	0.7
117.01962	0.7
119.03489	17.5
125.02436	1.2
130.08714	1.0
131.03531	0.6
134.03787	0.8
141.09250	1.1
143.03532	1.4
149.04581	2.2
153.40414	0.6
161.04553	4.4
173.99747	0.5
179.05592	7.0
187.10909	1.0
193.05087	3.8
200.14104	2.4
200.50497	0.6
243.15936	0.7
245.17627	5.0
250.00545	0.6
343.16248	2.5
387.19009	4.1
390.60803	0.6
407.22882	100.0
408.23154	4.6
425.49088	0.6
429.13971	0.8
431.15616	8.6
431.21506	3.0
432.15497	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	12.2
59.01388	1.2
61.98829	6.0
66.03499	1.2
68.05087	0.8
70.02966	2.3
71.01381	0.7
72.00903	2.5
74.02071	1.4
74.02472	28.6
75.00882	2.4
76.05264	0.6
81.04565	2.2
82.02991	3.9
84.04543	1.1
85.04079	0.7
86.02480	10.3
86.06133	1.1
86.99108	1.5
87.05643	10.5
88.04030	0.8
90.00179	4.2
97.04070	3.1
97.21357	0.6
99.05637	30.3
101.07205	3.6
102.05613	4.2
107.06125	1.5
109.04065	4.9
109.07690	0.8
109.98705	0.6
111.05620	1.0
112.04044	4.0
112.99630	0.6
113.03584	0.8
114.99631	0.7
123.05634	4.2
124.04044	2.3
125.03609	1.0
127.05116	4.7
128.03534	61.8
129.01128	0.6
129.03885	0.9
131.04639	1.2
135.05653	9.0
137.07251	1.2
141.06711	7.1
143.04630	88.5
145.06215	3.7
146.04613	7.7
147.04448	0.6
149.07188	0.7
153.06740	5.5
155.08292	1.2
160.00749	21.5
166.09904	4.0
167.04628	7.5
167.08281	3.7
171.04076	0.6
177.03438	6.8
179.04616	17.3
181.06264	1.2
184.51610	0.6
185.05693	1.3
192.07797	0.9
193.78648	0.6
197.05592	2.0
198.08844	1.1
210.08865	14.9
228.09824	0.7
242.07886	2.3
242.25635	0.7
243.09163	0.7
254.07857	15.0
272.08890	28.8
288.06567	11.7
288.31802	0.7
306.07693	100.0
307.07928	1.4
468.14569	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	468.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.0
57.03449	2.2
57.83596	0.8
58.00599	1.9
59.01387	87.1
59.19026	0.7
60.99294	1.5
61.98826	1.9
64.13567	0.8
68.53160	1.0
69.03460	2.0
71.01380	100.0
72.99297	2.2
73.02948	13.5
73.85360	0.9
75.00860	1.3
78.33297	0.9
83.01375	4.8
85.02955	21.8
87.00858	5.8
87.93348	0.9
88.04031	1.1
88.98780	12.5
89.02438	98.3
95.01376	6.8
96.95973	4.5
97.02952	8.2
98.95603	1.3
99.00864	6.0
101.02428	36.7
113.02439	38.7
115.04009	4.0
119.03501	8.0
120.14293	1.0
125.02457	11.6
129.01903	3.9
131.03467	4.0
132.90555	6.1
132.91580	0.9
143.03514	9.3
149.04491	1.9
155.43378	1.1
161.04561	22.1
173.04536	1.6
179.05605	24.5
188.05653	1.3
221.06693	8.0
245.06844	1.5
246.09764	1.7
262.85748	1.0
263.07834	2.1
267.45105	1.2
293.08786	4.8
311.38425	1.0
314.92218	1.0
323.09821	42.7
328.40341	1.0
370.09396	1.2
408.15158	78.8
410.31329	1.0
433.13422	2.0
454.58981	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82268	0.9
55.01879	2.0
56.24523	0.6
57.03440	0.9
58.00593	1.5
59.01387	100.0
69.03445	2.1
69.63966	0.8
71.01383	70.0
72.99296	3.6
73.02941	14.4
76.93898	0.7
81.03447	1.4
83.01402	6.4
85.02951	19.0
87.00861	6.0
89.02439	78.3
95.01382	5.6
97.02938	4.6
99.00854	4.2
101.02436	52.3
113.01707	1.4
113.02447	27.1
119.03491	29.1
125.02433	12.6
131.03503	6.6
143.03522	7.9
149.04524	1.5
159.03001	1.0
161.04556	18.5
179.04149	1.8
179.05627	36.0
221.06694	18.4
246.09897	1.2
246.24757	0.9
263.07620	3.9
268.56281	0.9
323.09866	49.2
408.15182	78.3
441.62183	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44527	0.3
52.55397	0.3
59.01382	3.5
61.61578	0.3
61.98831	3.0
71.01382	4.6
72.99312	1.8
73.02942	0.7
75.00870	100.0
75.08439	0.3
77.70757	0.3
83.01368	0.5
85.02930	0.6
87.00895	0.5
89.02440	4.6
90.03946	0.3
96.95994	0.6
99.00897	1.4
101.02421	2.1
109.57318	0.4
113.02465	0.4
125.02443	2.4
126.02583	0.4
131.03534	0.4
137.02393	0.6
149.04668	0.5
160.07753	0.6
161.04605	0.4
165.01945	0.5
167.03516	0.5
211.65646	0.4
270.09805	5.7
293.08807	2.3
305.06717	0.4
306.07071	0.5
392.15555	6.4
393.16550	0.5
468.12308	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.2
57.03429	3.4
58.00616	0.9
59.01387	52.9
61.98539	1.6
61.98838	31.8
62.84576	0.9
63.27967	1.0
71.01382	78.0
72.99316	1.6
73.02943	3.8
83.01350	1.4
85.02949	22.2
87.00867	6.5
89.02441	64.8
95.01366	6.7
96.95992	2.1
97.02940	1.7
99.00867	8.0
101.02433	17.6
113.01709	1.9
113.02448	39.6
114.64291	0.9
119.03450	1.7
125.02412	3.9
131.03482	1.7
143.03485	4.3
149.04483	1.4
161.04562	16.8
179.05641	5.5
187.60403	0.9
201.11781	0.9
246.09933	1.1
260.66034	1.1
323.09805	1.5
408.15155	100.0
409.15787	1.4
449.69965	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24492	0.1
57.03446	0.1
59.01389	1.1
60.01721	0.1
61.01832	0.1
61.98837	100.0
62.88800	0.1
71.01389	0.4
72.01720	0.1
85.02960	0.1
87.00852	0.1
88.98808	0.5
89.02439	0.5
96.96043	0.1
101.02423	0.1
101.06084	0.1
107.37716	0.1
113.02508	0.1
119.03567	0.1
120.03858	0.1
121.66727	0.1
138.02026	0.1
142.09604	0.1
154.47557	0.1
168.88797	0.1
328.95789	0.1
406.21811	0.1
407.22235	0.4
408.22406	0.5
471.88983	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	469.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09040	2.3
59.01389	81.2
60.01721	2.4
61.13658	2.2
69.03460	3.2
71.01382	83.0
72.99313	3.9
73.02937	12.7
83.01373	5.0
85.02957	17.2
87.00843	2.9
88.98809	10.1
89.01886	3.7
89.02438	100.0
95.01384	3.4
97.02955	6.2
99.00850	5.4
101.02434	23.5
104.07378	2.1
113.02464	23.1
114.02711	3.0
114.04885	2.9
115.04001	8.5
124.01676	5.3
125.02435	27.2
131.03461	3.1
132.90575	4.9
133.90570	3.7
143.03548	5.1
149.04536	4.9
161.04477	19.3
179.05598	18.2
221.06583	5.9
233.06723	12.5
233.18568	3.0
293.08862	57.7
323.09854	17.2
324.10281	10.8
408.14920	26.5
409.15604	26.0
433.13483	51.4
469.11124	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
61.98830	0.7
66.67335	0.4
66.95922	1.7
72.05997	0.4
82.95412	100.0
83.02479	0.6
134.88162	0.4
154.63422	0.4
219.31532	0.5
222.61984	0.4
330.31528	0.4
337.65125	0.6
349.16977	1.5
381.16278	0.5
457.20087	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56054	0.1
54.83009	0.2
59.01385	1.0
61.98838	1.7
66.95917	1.0
71.01388	0.3
73.02941	0.2
73.45808	0.2
78.95909	1.6
82.95415	100.0
83.73761	0.1
87.00876	2.7
88.98803	0.2
89.02432	0.3
90.40078	0.2
96.96002	0.4
96.96915	0.2
99.00891	0.2
101.02446	0.3
115.00399	0.3
124.62518	0.2
129.10320	0.2
175.02846	0.2
176.03520	0.6
381.17654	0.3
409.28473	0.3
468.28168	0.2
469.18549	0.4
469.28760	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
57.03447	2.8
59.01389	100.0
59.60511	1.1
61.98841	15.8
68.15015	1.1
71.01383	46.2
72.99286	1.7
73.02959	8.7
82.46325	1.1
83.01379	6.0
85.02936	16.3
87.00854	1.1
89.01962	1.7
89.02447	32.5
95.01365	1.6
97.94572	1.1
98.60176	1.2
99.00864	2.5
101.02438	37.0
108.02182	2.3
110.03741	2.4
111.14201	1.1
113.02451	16.3
119.03510	19.1
121.02914	1.9
143.03476	1.4
149.94629	1.2
161.04529	5.2
179.05548	5.0
184.27350	1.1
184.31735	1.3
189.12816	4.5
194.28384	1.2
201.09145	2.4
201.12801	1.5
217.12320	9.1
222.29314	1.2
245.11868	31.3
263.12756	4.6
263.14969	18.6
267.56879	1.2
271.13388	6.5
289.10703	2.8
363.14706	1.3
389.70804	1.1
409.20865	28.6
469.17084	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.3
61.98545	0.5
61.98839	10.6
62.02463	0.3
68.40323	0.4
69.08848	0.3
71.01373	2.4
72.00910	10.4
73.02926	0.5
74.02081	0.8
74.02474	16.3
78.95885	0.4
83.47582	0.4
89.02427	0.6
91.75207	0.3
104.23713	0.4
113.02439	0.6
116.05061	47.1
117.05430	0.5
126.59753	0.5
126.90411	0.5
128.03571	0.9
130.06644	0.9
142.06622	12.5
159.09279	8.1
161.04564	0.6
186.05608	1.9
203.08286	100.0
204.08585	0.8
302.27255	0.4
318.72977	0.6
353.14554	2.1
379.23206	0.4
409.15897	0.7
415.53555	0.5
469.15698	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	7.7
57.03453	5.3
59.01387	92.5
61.98836	18.1
63.90242	1.1
71.01384	38.9
72.99302	1.7
73.02943	20.6
83.01379	13.3
85.02946	27.4
87.00851	2.3
88.04499	1.3
89.02429	5.6
89.95531	1.2
91.45279	1.3
95.01371	5.5
96.95997	8.5
97.02944	2.0
99.00864	9.0
101.01774	2.1
101.02436	56.2
111.66767	1.5
113.02453	18.1
119.03538	1.6
121.02969	6.5
143.03442	1.4
159.03041	2.4
161.04559	9.7
263.15005	69.3
409.20837	100.0
468.30203	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.2
59.87262	5.1
61.98813	5.6
64.42536	4.6
74.06850	4.6
75.00866	4.9
75.78837	4.6
82.95430	10.8
84.95133	8.8
98.09470	4.7
114.65112	4.8
120.03866	5.3
121.02956	8.2
135.04503	9.8
161.06081	5.9
178.10010	8.3
179.10803	6.8
192.11639	5.5
269.77792	6.2
286.76117	6.2
301.21674	7.5
317.21289	21.6
319.22861	22.3
329.21204	31.5
333.20779	9.6
335.22223	21.6
347.22318	100.0
363.21689	22.7
371.22354	7.8
373.20230	65.9
385.20294	5.7
389.23315	12.9
391.21146	36.3
403.21246	49.0
406.96188	5.5
415.21188	27.2
433.22379	78.3
433.84854	5.7
451.16855	5.1
451.23511	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	469.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	4.2
59.01381	31.4
67.13284	4.1
67.37623	4.5
70.72240	5.0
71.01378	7.3
72.99303	9.9
75.00857	49.4
82.95402	40.8
95.44722	4.7
99.00877	11.6
112.98805	9.2
116.92920	4.8
117.01947	6.1
119.06844	4.6
121.02969	20.9
135.02979	41.3
135.04584	7.2
142.99867	19.9
151.04045	7.5
156.00671	7.7
161.06137	5.2
165.12927	16.8
173.00940	5.4
174.01724	100.0
175.71190	4.6
178.10027	20.2
181.15987	24.0
225.15007	25.9
242.17645	81.6
243.15974	5.6
279.23279	7.3
295.22845	18.4
301.21948	6.2
307.22852	26.0
317.21173	18.4
319.22870	28.5
329.21298	24.8
333.20822	71.0
335.22324	9.1
347.22357	78.7
348.53491	4.7
351.21744	39.1
361.20602	5.3
363.21967	8.8
373.20282	58.3
389.23361	20.9
391.21362	24.0
403.21194	25.1
409.22644	6.4
415.21191	18.6
433.22330	30.9
451.23404	44.3
469.29803	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	469.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41011	0.4
53.27714	0.3
55.01886	0.6
57.03440	0.6
58.02986	5.6
59.01387	6.8
61.98830	3.1
64.69998	0.4
65.02245	0.3
66.03497	0.7
71.01385	7.6
73.02959	3.9
73.04071	23.3
80.05055	0.6
81.07081	0.5
82.06624	0.6
83.01360	0.7
85.02962	4.4
86.02480	0.8
89.02443	1.8
92.11704	0.9
96.96024	0.8
97.04070	8.9
98.02478	5.9
99.00887	1.0
101.02427	7.3
113.02462	2.6
113.03637	0.6
114.05604	100.0
115.05130	51.5
125.02435	0.4
127.05123	2.1
128.03502	0.5
136.07651	0.4
138.08235	0.4
138.09210	3.3
139.08812	0.7
140.07175	3.8
141.10326	3.2
145.06190	19.9
159.02966	0.5
160.66475	0.4
161.04564	1.4
168.10249	1.7
168.11542	0.7
180.24295	0.4
183.11394	2.6
195.11369	0.7
195.15102	3.9
197.16588	5.5
208.13428	2.6
221.16547	2.6
225.16104	10.6
227.14066	1.9
238.19243	2.6
277.16504	5.2
280.20319	4.4
296.23392	8.9
324.19305	0.6
353.25589	7.2
354.20502	3.2
395.26712	3.5
407.22775	3.0
409.20871	19.7
439.25583	5.0
451.25677	2.3
469.26733	77.6
470.27029	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	469.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42635	0.3
56.00539	0.3
58.69923	0.3
59.01363	0.5
73.66257	0.3
116.07159	1.4
152.99481	0.5
153.09183	0.7
163.31609	0.4
170.95242	0.3
200.40753	0.4
305.31149	0.4
377.29181	0.4
469.33276	100.0
470.33450	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	469.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51229	0.6
51.38374	0.8
59.01383	1.6
61.98815	0.7
64.57339	0.7
71.05013	1.5
78.95881	1.1
85.06539	1.0
94.14746	0.6
96.95992	3.2
97.06555	4.2
103.29366	0.6
116.92908	0.8
123.04515	1.0
125.09729	1.7
137.09695	1.2
152.99606	1.8
158.05251	0.8
162.68634	1.0
163.11275	0.9
166.90474	0.8
168.75861	0.8
169.63049	1.0
177.52159	0.8
189.12793	1.6
191.14444	4.8
193.15981	22.5
248.58537	0.8
287.20044	3.5
289.21802	11.4
391.29404	1.2
407.33194	4.6
409.30450	1.2
425.34360	25.9
437.33066	0.9
469.33292	100.0
470.33875	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37623	0.6
59.01382	1.4
60.99314	8.0
64.67928	0.6
70.92802	0.7
73.41075	0.7
78.95906	1.3
78.98991	0.7
81.48833	0.7
83.05029	1.6
101.08376	0.7
141.01665	0.9
152.99564	3.3
153.09218	16.3
218.29486	0.7
226.05032	0.7
256.50623	0.8
315.23297	8.4
407.32993	5.1
440.17331	0.8
469.33279	100.0
470.33640	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	470.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48346	0.1
53.88818	0.1
59.01388	0.3
63.51195	0.2
68.27075	0.1
71.01390	0.2
82.02978	0.3
87.56004	0.2
89.02448	0.2
90.27536	0.2
101.02422	0.2
104.73533	0.1
112.52715	0.2
116.17474	0.2
119.03484	0.2
120.56554	0.2
121.14809	0.2
128.03529	100.0
228.17563	0.2
269.55807	0.2
341.10898	1.2
394.26511	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82652	0.2
59.01384	2.3
61.29956	0.1
61.98835	100.0
71.01387	0.8
81.03476	0.2
81.32278	0.1
82.95428	1.1
89.02451	0.7
90.01598	0.1
91.59631	0.2
91.66492	0.1
95.04991	0.5
96.96057	0.2
97.02914	0.3
99.04538	0.3
101.02400	0.2
112.37104	0.2
119.05009	0.2
123.04544	0.9
125.02450	1.5
128.03584	0.9
137.06107	1.0
154.42130	0.1
165.05542	0.3
167.03491	3.8
179.03517	0.7
197.04576	0.2
209.04646	0.8
221.04825	0.2
273.07700	0.3
315.08780	6.8
345.09903	1.4
410.20212	0.3
435.13019	1.5
470.22043	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61263	0.1
56.60412	0.1
58.53291	0.1
59.01142	0.2
59.01387	2.4
64.34814	0.1
75.00844	0.3
77.03965	0.2
77.17496	0.1
81.03429	0.6
89.02427	0.1
89.03974	2.5
101.02428	0.6
103.00356	2.3
103.04005	2.4
104.02665	0.7
105.03449	4.3
109.02909	0.2
133.02948	10.9
148.01651	0.6
149.02451	1.1
176.01181	1.4
176.02507	0.2
177.01933	100.0
178.02292	0.6
228.49858	0.2
264.56116	0.2
367.15887	0.3
471.11484	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	471.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67449	0.2
51.52932	0.3
51.71781	0.3
54.82468	0.3
59.01380	0.7
61.98834	3.6
62.39553	0.3
71.01385	9.8
73.02943	1.6
80.51070	0.3
92.12399	0.5
93.03423	0.4
99.00878	0.4
99.92593	0.7
101.98347	0.3
106.04266	0.3
106.80854	0.3
115.00377	6.7
116.87375	0.4
116.92850	8.2
116.97246	0.3
117.01923	2.3
121.02985	1.2
133.02953	1.5
134.03734	61.0
137.02446	9.2
139.04018	3.1
145.18117	0.4
149.06087	20.7
150.03273	0.4
165.02036	0.3
175.02454	0.3
178.02718	41.6
178.47046	0.3
193.05066	100.0
194.05409	0.4
231.56845	0.3
232.76883	0.3
236.04662	0.3
238.55865	0.3
350.57257	0.3
355.10397	18.9
366.28558	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79577	0.2
59.01147	0.2
59.01392	3.6
61.98834	1.1
66.95921	1.1
71.01383	0.5
71.43047	0.2
82.95417	100.0
84.95124	0.4
85.02962	0.3
89.02447	0.4
96.96004	1.3
101.02458	0.4
110.50916	0.2
113.02493	0.4
137.02422	0.3
154.49226	0.2
159.10158	0.2
287.06146	0.3
351.53391	0.2
411.20486	0.4
437.71201	0.2
448.27670	0.2
471.22253	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1644
Annotation	Ananolignan B
Peak:m/z	Relative Intensity
54.82420	3.9
57.81403	4.2
59.01388	63.7
61.98835	52.8
63.79268	3.8
66.20800	4.6
70.07090	3.9
71.01383	38.1
73.02945	7.3
82.95400	7.4
85.02930	10.7
89.02449	46.7
92.98849	5.5
96.96017	53.7
99.00847	8.1
101.02431	19.6
109.94649	4.0
113.02438	10.3
119.70680	4.7
124.27248	5.4
125.02412	7.0
134.03737	9.8
134.79320	4.8
135.44833	4.4
149.04517	34.8
161.04671	6.0
191.05719	5.5
193.05066	11.6
293.09015	6.8
351.16507	5.9
376.85468	5.7
435.18561	36.1
465.54657	5.3
471.16415	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	471.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85729	0.1
51.31380	0.2
55.01885	0.3
59.01385	1.6
61.97363	0.2
71.01389	0.8
71.05023	17.3
72.00857	0.2
73.02949	8.7
74.02434	0.2
75.00864	1.0
83.01359	0.2
85.02953	0.4
87.04491	1.4
99.00871	4.2
99.92575	7.9
100.92604	0.3
101.02443	1.0
113.02465	0.2
115.03993	0.5
115.66238	0.2
116.07160	1.4
116.92850	100.0
116.97254	1.3
117.01929	13.0
117.05566	91.7
117.92853	5.5
117.97511	0.2
118.05084	1.3
118.05893	0.8
147.11914	0.2
178.13559	0.2
221.10313	1.6
353.14526	2.7
354.14847	1.1
489.21750	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.3
59.01392	1.8
59.92068	0.1
65.46494	0.1
68.96721	0.1
71.01381	1.2
71.05022	14.8
72.00925	0.2
73.02533	0.3
73.02947	9.2
74.02469	0.2
75.00870	1.1
76.57758	0.2
85.02951	0.2
87.00855	0.3
87.04515	0.8
89.02410	0.2
99.00889	4.2
99.04535	0.2
99.92587	9.3
100.92587	0.3
101.02447	0.8
112.14587	0.1
115.04036	0.2
116.07185	1.0
116.92862	100.0
116.97227	0.8
117.01938	15.9
117.05578	83.1
117.92870	6.6
118.02207	0.1
118.05109	1.9
118.05926	0.9
128.41444	0.2
221.10356	0.9
268.59668	0.2
317.05338	0.2
353.14603	2.3
354.14810	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.4
55.27217	0.3
57.03466	0.3
59.01388	100.0
60.01697	0.4
61.98841	1.7
68.48990	0.4
71.01382	11.9
72.99296	0.3
73.02958	1.9
82.95412	6.4
83.01392	0.5
83.05022	0.5
85.02950	5.0
87.00887	0.7
88.91996	0.3
89.02448	8.0
92.12375	0.7
95.01431	0.6
99.00898	1.5
101.02438	6.3
102.15401	0.3
113.02446	4.9
119.03457	2.9
122.36365	0.4
128.03563	0.5
143.03563	0.7
146.56720	0.3
152.08501	1.3
153.09224	2.5
159.03050	0.5
161.04575	7.7
161.09769	1.5
165.09198	0.4
179.05669	2.7
187.11319	1.5
191.10915	0.4
231.13849	3.3
235.08238	0.5
249.15018	5.7
253.08788	0.4
371.03665	0.4
411.20355	7.3
435.22882	1.4
471.22369	1.5
471.28442	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72919	0.3
59.01378	1.4
71.01410	0.3
104.63578	0.3
107.04967	0.5
114.39537	0.3
116.92860	0.4
123.82181	0.3
135.35426	0.3
146.10371	0.3
161.04509	0.4
193.07243	0.5
277.21735	100.0
278.22095	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62191	0.2
59.01363	0.3
68.41485	0.2
78.95912	3.4
104.46663	0.2
130.12303	0.3
141.44539	0.3
152.99571	6.4
153.09190	1.2
158.99304	0.3
222.06877	0.3
261.05875	0.3
433.23483	1.9
453.60938	0.3
471.34848	100.0
472.35223	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	0.3
59.01352	0.2
65.18002	0.1
71.15430	0.1
71.87699	0.1
76.57658	0.2
76.84182	0.1
78.95900	0.9
87.60613	0.1
148.21964	0.1
152.99574	1.6
186.65724	0.1
377.28372	0.6
393.31555	0.9
423.32846	1.0
471.34842	100.0
472.35178	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	472.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42031	1.9
58.70892	2.2
59.01382	14.7
61.98835	100.0
71.01376	11.6
72.23522	2.1
73.02950	4.0
76.57368	2.8
87.51981	2.3
89.02448	25.4
96.96010	16.5
99.00865	4.6
101.02439	3.1
129.05600	25.6
149.04576	16.0
149.06070	2.1
154.80981	2.2
156.06636	2.6
188.70804	2.5
193.05070	4.5
211.14507	2.3
232.10703	2.2
251.07600	2.9
296.19501	3.0
309.66226	2.4
319.06985	2.2
341.10980	3.6
436.12897	12.3
472.10495	20.5
472.24823	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	472.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26270	0.4
56.95635	0.5
57.03477	0.6
58.00609	1.3
59.01396	68.9
62.45713	0.6
71.01390	47.1
72.99326	0.8
73.02954	1.3
83.01404	2.0
84.62805	0.5
85.02959	7.5
87.00893	2.3
88.04031	1.0
89.02446	68.0
90.02785	0.7
94.43051	0.5
95.01394	1.3
101.02446	23.8
111.34261	0.5
113.02450	21.7
119.03491	21.1
125.02463	0.6
128.03534	3.4
130.05130	0.9
130.08731	82.7
131.03522	4.0
143.03554	4.3
146.74469	0.7
149.04559	2.6
161.04535	5.8
179.05620	23.3
195.22157	0.6
205.20569	0.7
305.64606	0.8
341.10922	100.0
342.11264	1.3
475.63687	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59986	0.4
53.47786	0.4
54.50767	0.4
57.03455	62.0
59.01109	0.8
59.01385	17.0
60.70332	0.4
71.01381	3.2
81.03446	4.4
85.02943	0.9
95.01382	4.2
99.00878	0.7
99.04507	27.6
101.02438	12.7
108.02132	0.6
111.00876	0.5
111.34030	0.4
113.29539	0.5
114.96394	0.5
123.00876	29.9
125.02433	14.0
133.68378	0.5
137.02400	2.1
137.63803	0.5
138.03214	26.7
143.03488	1.0
153.05569	16.5
156.24051	0.5
166.99852	31.7
169.01317	0.6
173.04565	2.9
182.02205	84.7
197.04561	100.0
198.05045	0.5
207.03067	0.5
213.07695	4.0
239.05643	0.5
275.07770	13.8
329.08804	13.5
351.50378	0.5
371.09891	7.9
411.13034	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	473.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59986	0.4
53.47786	0.4
54.50767	0.4
57.03455	62.0
59.01109	0.8
59.01385	17.0
60.70332	0.4
71.01381	3.2
81.03446	4.4
85.02943	0.9
95.01382	4.2
99.00878	0.7
99.04507	27.6
101.02438	12.7
108.02132	0.6
111.00876	0.5
111.34030	0.4
113.29539	0.5
114.96394	0.5
123.00876	29.9
125.02433	14.0
133.68378	0.5
137.02400	2.1
137.63803	0.5
138.03214	26.7
143.03488	1.0
153.05569	16.5
156.24051	0.5
166.99852	31.7
169.01317	0.6
173.04565	2.9
182.02205	84.7
197.04561	100.0
198.05045	0.5
207.03067	0.5
213.07695	4.0
239.05643	0.5
275.07770	13.8
329.08804	13.5
351.50378	0.5
371.09891	7.9
411.13034	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	473.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.0
63.93307	0.2
71.01392	22.4
71.62731	0.2
72.99316	5.4
76.31861	0.2
87.00900	1.0
87.04522	10.7
88.04036	1.5
89.02450	3.4
113.02477	0.9
114.38154	0.2
115.00372	62.1
116.00737	0.4
130.08737	0.3
131.03497	13.9
131.04500	0.5
132.03011	3.0
132.03845	0.4
133.01430	100.0
134.01801	0.3
154.52156	0.2
169.72037	0.2
267.72208	0.2
341.10803	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51910	0.6
54.00662	0.5
57.03453	39.1
57.94196	0.4
58.00619	0.7
59.01383	45.3
61.98834	5.8
62.05106	0.5
62.88605	0.5
69.62582	0.6
71.01379	23.0
72.99291	1.1
73.02944	6.9
76.54814	0.6
81.03467	1.2
81.68603	0.6
82.95404	3.1
83.01395	1.3
84.95112	6.4
85.02941	4.5
87.00861	1.1
88.04056	0.5
89.02428	46.2
95.01379	3.0
96.95984	3.9
97.02954	1.1
99.00861	12.5
99.04510	13.9
101.02423	23.4
113.02436	4.2
119.03502	2.3
123.00860	23.8
125.02424	9.5
128.03508	2.3
129.10318	0.8
131.03482	6.4
133.40285	0.6
137.02449	2.4
138.03214	37.2
143.03488	0.7
149.04532	19.1
149.05637	1.0
153.05571	22.6
161.04567	1.2
164.04816	0.7
166.99840	20.7
167.07159	0.7
169.01433	0.7
179.05617	0.7
181.01384	0.9
182.02205	69.9
186.51457	0.6
191.05568	5.9
197.04562	100.0
198.04941	0.8
221.06758	2.3
233.80988	0.6
234.30583	0.6
239.05582	0.7
251.07765	0.8
275.07785	1.2
329.08817	28.2
371.09839	11.4
372.10486	0.7
411.12997	2.7
413.21713	0.8
473.16992	0.8
473.26773	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59486	0.4
52.73026	0.5
52.82462	0.5
57.03457	39.5
58.00605	0.8
59.01387	38.1
60.16865	0.4
61.98849	4.6
66.56348	0.4
67.11786	0.4
71.00994	0.5
71.01383	15.4
72.99297	0.9
73.02952	5.9
81.03448	2.1
82.95428	1.1
83.01419	0.6
84.95113	2.7
85.02953	3.2
87.00866	0.9
89.02441	34.2
95.01382	2.3
96.96005	2.6
97.02902	0.5
99.00891	9.3
99.04508	12.7
101.02431	19.4
102.05608	0.9
111.00864	0.7
113.02438	2.8
119.03464	1.2
121.02927	0.6
123.00874	23.4
123.04401	0.6
125.02433	8.0
128.03490	1.3
130.06215	0.5
130.08740	0.8
131.03491	4.7
135.43512	0.5
136.52676	0.5
137.02432	1.3
138.03229	37.9
139.00345	0.9
143.03548	0.9
149.04555	14.6
153.05568	23.9
161.04559	1.1
166.99854	18.5
169.01384	0.6
169.90723	0.5
182.02223	67.7
191.05656	3.9
191.66220	0.5
195.65134	0.5
197.04576	100.0
198.04907	0.9
218.48784	0.5
221.06708	2.0
223.00737	0.6
251.07742	0.7
329.08798	33.8
330.09042	0.8
352.12439	0.6
371.09845	11.9
411.13013	2.5
413.21872	0.7
467.74518	0.5
473.26379	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03823	0.5
59.01387	100.0
61.98840	0.9
71.01383	0.9
82.19093	0.5
85.75797	0.5
121.07252	0.7
134.28511	0.5
151.29942	0.5
187.40933	0.5
217.00366	0.8
220.14732	6.0
221.15474	11.3
236.10602	5.0
293.17593	5.3
311.22382	2.4
453.05313	0.7
473.20071	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
71.31033	0.3
80.49385	0.3
115.33025	0.3
122.09509	0.3
251.46359	0.3
376.53470	0.3
417.00064	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18005	0.2
57.03464	0.2
59.01389	100.0
59.29970	0.2
60.01723	0.3
76.57347	0.2
84.02223	0.3
85.02957	2.1
105.34972	0.2
122.16701	0.2
122.64251	0.2
126.00047	0.2
133.06628	1.3
145.05121	1.1
166.37801	0.2
177.62695	0.2
279.12521	1.4
310.40430	0.3
316.16049	0.2
413.19922	0.9
413.94128	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
60.01721	0.2
61.98855	0.2
65.12143	0.2
78.95930	0.3
84.95127	0.4
90.35300	0.2
124.92277	0.3
142.60367	0.2
174.99298	0.3
201.34793	0.2
217.00299	0.3
285.97949	0.3
311.22208	0.3
422.30453	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76664	0.4
54.65981	0.4
55.01886	3.1
57.03462	2.5
57.19519	0.4
57.63359	0.4
58.00607	1.1
59.01388	100.0
59.73599	0.5
60.13848	0.4
63.97022	0.4
65.84971	0.4
65.85345	0.5
69.68412	0.5
71.01382	49.2
72.99317	2.8
73.02947	10.2
73.03337	0.6
75.00856	0.6
83.01398	4.8
85.02952	15.7
87.00887	2.6
89.02441	39.0
92.12408	1.4
95.01410	3.1
95.92206	0.4
99.00887	3.0
101.01766	1.0
101.02436	32.1
112.77370	0.4
113.02451	20.2
119.03493	13.8
131.03529	0.9
143.03529	2.6
143.82616	0.4
149.04610	0.6
149.36626	0.4
159.03081	2.3
161.04565	15.4
172.24344	0.4
177.12848	4.9
179.05659	8.2
179.11647	0.5
197.34377	0.4
251.16556	10.4
396.00580	0.6
413.21875	75.0
414.22348	1.0
425.62009	0.6
477.33194	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2818
Annotation	Val Gln Ala Arg
Peak:m/z	Relative Intensity
59.01384	2.2
60.59066	0.4
61.98828	0.7
64.34734	0.4
64.75326	0.4
71.89065	0.4
78.95881	2.3
99.92529	0.5
109.06575	0.7
110.47160	0.5
123.59380	0.5
189.12852	1.8
205.15994	32.3
206.16125	0.6
267.11444	0.9
457.25174	16.6
458.25562	0.8
473.28311	100.0
474.28784	6.0
490.24536	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.0
61.67145	0.2
70.51960	0.3
88.42899	0.2
94.23620	0.2
115.04215	0.2
116.92856	0.4
141.88332	0.3
168.53661	0.3
193.07162	0.5
196.67290	0.2
201.57791	0.3
205.16031	0.4
261.22235	0.3
279.23309	100.0
280.23639	2.5
361.26566	0.2
473.27448	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	473.3278
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
50.57710	0.4
50.90323	0.5
53.13399	0.5
56.48430	0.4
59.01374	1.2
60.72704	0.4
60.98313	0.5
60.99328	0.5
69.03458	9.2
73.24301	0.5
80.02673	1.2
81.03477	0.7
83.05037	0.9
91.05531	0.6
91.06107	0.5
107.05041	6.1
109.06588	93.7
129.26840	0.5
129.31033	0.5
152.99452	0.6
160.01782	1.1
175.03998	1.1
205.16122	2.2
207.56622	0.6
277.25381	0.6
288.12607	0.6
317.28601	3.3
339.30829	0.6
341.28629	0.7
355.30310	3.2
357.31662	46.6
358.32080	0.7
359.29773	1.0
369.31729	0.9
383.33292	1.0
385.34763	20.6
385.39401	1.0
393.31699	0.9
411.32724	13.1
428.29376	0.6
429.33783	57.6
430.34467	1.8
441.27115	0.7
457.25143	0.9
473.32980	100.0
474.33371	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	474.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17171	0.6
57.03432	0.9
63.02402	1.5
63.68902	0.7
64.87472	0.8
65.00321	5.0
67.01884	1.5
68.94297	0.8
71.01378	4.7
80.09538	0.8
81.03452	1.1
82.39481	0.8
84.90576	0.9
88.04037	9.9
88.98769	0.9
89.02425	0.8
89.03943	1.0
91.01879	3.9
93.03450	65.0
95.01395	1.4
95.05019	4.3
105.03449	1.3
106.04229	3.9
107.05029	1.2
108.02143	1.5
109.02906	1.9
109.15880	0.9
114.05603	2.1
115.00362	8.7
121.02940	70.1
121.06630	1.1
122.03712	3.5
123.04507	4.9
132.03026	18.0
133.01431	10.6
133.02939	42.1
137.02446	1.7
150.03197	1.7
151.04002	100.0
152.04311	1.2
165.05559	16.3
167.03490	63.2
181.05074	1.2
183.06680	1.4
195.02997	54.3
227.05721	3.9
227.14191	7.7
227.16389	0.9
455.29623	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32318	0.3
56.28122	0.3
59.01388	38.0
60.01727	2.6
61.98827	0.5
67.63658	0.3
73.43155	0.4
77.16605	0.3
78.95898	30.1
92.88784	0.3
105.81999	0.3
122.00115	1.6
134.21281	0.3
140.01183	8.2
152.99591	2.3
155.59395	0.4
196.03798	12.7
209.48987	0.4
214.04903	2.5
277.21729	100.0
278.22052	2.1
312.22766	0.5
474.26294	31.1
475.26755	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36981	0.2
59.01370	1.9
59.51398	0.2
61.42794	0.2
68.07710	0.2
71.01366	0.4
74.60204	0.2
78.95898	7.4
89.62343	0.3
91.57279	0.3
100.70417	0.3
130.09505	0.2
140.01184	2.7
146.08185	0.2
152.99547	0.6
154.45752	0.2
159.77022	0.2
159.99812	0.2
196.03761	0.9
199.44612	0.2
214.04878	2.5
233.22853	0.5
259.20581	0.5
275.20032	0.3
277.21729	100.0
278.22122	3.0
447.85211	0.3
474.26288	11.1
475.26791	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	474.2629
Annotation	Ulipristal acetate
Peak:m/z	Relative Intensity
59.01387	13.7
60.01720	1.1
61.98834	0.6
64.42204	0.2
77.96725	0.3
78.95903	100.0
86.39679	0.2
87.00847	1.0
94.78317	0.2
96.96955	10.0
140.01180	0.4
150.98067	0.3
152.99602	13.9
171.00653	17.2
255.06207	0.2
311.62286	0.3
400.22681	1.1
440.31256	0.3
474.26297	42.6
475.26462	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	475.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39607	0.2
59.01392	0.2
59.41246	0.2
71.01390	19.7
72.99310	4.4
87.00894	0.5
89.02448	3.1
92.12442	0.3
103.85703	0.3
111.38369	0.3
115.00368	58.6
132.03029	1.3
133.01424	100.0
312.16705	0.3
414.27692	0.3
433.39810	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.5
60.21515	0.3
71.01378	6.4
72.99313	1.6
87.00896	0.5
88.04059	1.0
89.02446	2.0
89.20219	0.3
92.11800	0.9
92.12370	0.6
93.28627	0.3
93.43615	0.3
94.72301	0.3
95.47536	0.3
96.96001	3.0
108.02172	32.9
110.99788	0.3
114.99556	0.7
115.00362	19.6
120.10058	0.3
123.04514	14.7
132.03030	2.2
133.01424	31.8
152.01152	77.0
167.03493	100.0
197.29037	0.4
211.53268	0.3
248.89326	0.4
257.35266	0.3
475.14386	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	475.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82072	1.1
56.18800	0.7
56.84405	0.7
57.03455	100.0
58.90414	0.8
59.01367	6.7
66.36704	0.8
71.01369	5.2
74.78294	1.1
81.90337	1.0
83.01367	1.3
85.02940	5.0
87.03510	1.0
96.95983	4.6
99.04512	20.7
100.40308	0.9
101.02439	17.2
108.09707	0.9
110.00105	1.9
110.69255	0.9
111.00839	8.4
113.02380	3.7
115.00333	2.1
119.70219	1.1
120.18893	0.9
125.02440	16.9
133.01389	3.8
137.02359	1.6
137.99550	6.2
139.00372	77.0
152.01198	2.2
153.01936	98.0
154.02719	95.0
161.04570	1.3
166.02661	1.1
167.03468	9.3
168.04266	43.7
168.05698	1.5
169.05061	97.4
191.73805	0.9
195.06619	2.4
197.04556	1.4
206.78189	1.0
271.86542	1.0
313.09363	1.6
331.10397	28.6
373.11472	21.1
413.14490	5.8
440.42487	1.1
475.14615	7.9
481.40207	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
59.39105	0.4
61.98832	0.5
66.63918	0.4
71.01387	4.7
71.62263	0.4
72.99310	0.5
77.41743	0.4
89.02450	0.8
96.95991	2.4
108.02178	31.0
115.00371	10.2
118.06213	0.4
123.04538	14.0
124.93016	0.4
125.02417	0.5
132.03003	0.8
133.01424	17.4
134.54211	0.4
139.00420	0.5
152.01161	74.5
155.51538	0.4
167.03499	100.0
168.03804	0.6
170.23564	0.4
197.04539	0.6
209.73685	0.5
427.28586	0.5
440.23236	0.5
475.14600	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	475.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68708	0.7
55.01894	6.9
55.02095	0.8
55.95982	0.6
57.03442	4.2
57.30332	0.6
58.41238	0.8
59.01388	81.6
61.98811	0.9
69.03451	1.6
71.01382	53.9
72.99311	1.2
73.02947	24.5
73.28069	0.9
83.01381	16.3
85.02950	32.6
87.00847	1.6
89.02431	7.7
95.01365	4.7
97.02939	1.4
99.00871	9.1
101.02429	56.5
103.04032	1.5
113.02441	24.8
120.76456	0.8
125.02431	3.7
143.03476	1.2
145.05052	0.9
148.69675	0.7
148.77048	0.8
159.02946	4.6
161.04555	24.2
229.07202	1.0
269.10306	50.3
277.77182	0.9
323.41595	0.8
415.16119	100.0
416.16531	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21868	6.3
59.01383	34.6
61.98829	15.6
64.78004	7.1
71.01360	15.3
74.46167	8.0
78.04141	7.8
78.95910	70.0
81.48547	7.1
87.35667	8.1
89.02462	9.1
152.99593	56.9
189.27875	9.5
277.21701	33.9
401.73996	10.3
474.35910	100.0
475.24518	14.3
475.36026	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	31.5
61.98824	19.4
74.06958	6.7
78.95905	84.4
122.40603	8.4
152.99582	100.0
352.51416	8.3
475.24722	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	475.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99377	1.1
56.01795	1.3
57.05026	1.5
59.01109	2.0
59.01385	43.6
60.42655	1.3
61.98829	2.9
66.28793	1.7
66.45388	1.4
71.01381	40.4
74.19778	1.4
78.95901	11.6
80.05730	1.4
80.11443	1.6
85.02935	2.1
89.02436	41.7
95.01354	1.7
101.02423	10.1
105.07973	1.5
113.02444	6.7
113.09686	1.7
119.03520	3.9
120.76167	1.6
152.99611	9.0
161.04533	2.0
163.53743	1.5
179.05562	12.4
195.13922	15.6
261.15649	1.6
277.21802	18.8
295.22809	100.0
301.91833	1.7
303.49896	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	0.7
62.49907	0.6
62.62381	0.6
73.33150	0.7
80.58263	0.8
83.59005	0.6
88.73488	0.7
92.11935	0.7
114.75391	0.8
118.39507	0.7
281.24884	100.0
282.25238	1.5
361.05267	0.9
419.26712	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82800	0.2
59.01385	1.9
61.82448	0.2
61.98822	1.3
66.95926	0.4
71.01376	1.0
71.48351	0.2
78.28049	0.2
82.95414	100.0
89.02448	0.5
90.34480	0.2
96.95999	2.3
115.00388	0.5
118.42462	0.3
133.01418	1.4
134.01790	0.3
168.07629	0.2
190.06424	0.3
208.07428	0.4
217.24420	0.2
221.52104	0.3
223.09853	0.3
223.67485	0.2
238.91957	0.2
253.10802	1.9
254.11063	0.5
404.40982	0.3
412.55325	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99576	0.2
54.75451	0.3
54.82227	0.2
55.01878	0.2
59.01388	0.5
63.01342	0.3
65.03991	0.3
67.01881	2.6
69.03454	4.7
79.05527	0.6
80.02659	0.4
81.03452	5.6
83.05006	0.5
93.03443	0.7
95.01395	3.8
95.05022	5.7
97.02946	15.5
97.06584	0.5
100.07876	0.3
100.90005	0.3
107.05059	0.4
109.02954	2.5
111.04504	4.3
121.02960	1.2
122.03798	2.3
123.04512	64.8
124.04859	0.6
133.01436	0.5
135.04526	1.3
151.04036	1.1
153.05576	100.0
154.05888	0.6
196.03403	0.3
197.04562	52.8
198.04803	0.6
229.07164	6.3
413.86807	0.3
432.63245	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	8.7
60.01722	1.6
61.01808	1.5
61.98835	100.0
68.35844	0.4
72.98686	0.3
78.95888	0.4
109.39513	0.4
119.06118	0.4
156.29402	0.3
189.23735	0.4
208.01370	0.3
219.64738	0.3
285.41858	0.4
296.92767	0.4
313.24161	0.5
443.67673	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65074	0.1
59.01387	24.3
59.94487	0.1
60.01722	3.5
61.01815	3.6
61.98836	100.0
66.20351	0.1
83.05746	0.1
110.26860	0.2
115.89928	0.2
153.61464	0.2
158.98163	0.2
177.76837	0.2
262.95459	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.2
61.98799	0.1
78.95911	5.8
97.06635	0.1
104.22802	0.1
122.00125	0.2
125.57434	0.1
140.01193	2.4
149.73883	0.1
152.99583	0.6
188.90260	0.1
192.44225	0.1
196.03813	1.3
214.04881	2.2
249.90326	0.1
261.22241	0.3
279.23309	100.0
280.23761	1.5
399.38495	0.1
462.28119	0.2
476.27875	10.2
498.16061	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2784
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
51.92063	0.2
52.08105	0.2
54.12004	0.2
59.01395	2.1
61.98840	44.6
66.23092	0.2
72.45689	0.2
75.47317	0.3
78.95906	100.0
79.48612	0.3
88.60578	0.2
92.11666	0.5
94.65718	0.2
96.96960	9.7
98.60740	0.3
116.92832	0.4
133.52283	0.3
140.01160	0.5
141.50256	0.3
152.99576	15.4
164.58385	0.3
171.00641	20.0
214.04889	0.3
219.26453	0.3
219.50572	0.3
244.29080	0.3
398.10101	0.3
402.23993	1.4
446.72455	0.3
476.27850	52.8
477.28094	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55176	0.1
52.93682	0.2
55.01883	0.2
59.01377	0.4
61.98841	0.2
78.95900	21.5
81.52201	0.2
82.25849	0.2
91.77797	0.2
92.11582	0.3
103.98802	0.2
122.00129	1.3
134.98448	0.2
140.01192	6.7
152.99640	2.2
196.03806	10.8
196.05647	0.4
214.04829	2.3
254.58531	0.2
261.22250	0.3
279.23300	100.0
280.23685	1.7
295.18817	0.2
407.37531	0.2
408.79758	0.2
476.27869	29.2
477.28430	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06102	0.1
54.82377	0.1
57.46395	0.1
59.01384	1.0
60.08049	0.1
61.98849	0.1
71.01382	0.1
71.13424	0.1
71.21741	0.1
75.00876	0.2
78.95901	8.0
79.95743	1.6
89.02445	0.2
90.59728	0.2
92.65048	0.1
96.96004	100.0
96.96917	14.8
99.00780	0.1
104.08088	0.1
111.55466	0.2
121.02918	0.1
141.04192	0.1
164.04790	0.6
179.07149	0.2
180.07549	0.2
183.08705	0.1
215.06593	0.1
224.31407	0.1
247.70708	0.1
264.35132	0.1
275.23813	0.1
377.31860	0.1
470.09320	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71941	0.3
55.01888	0.5
57.03458	0.4
58.00608	0.8
59.01388	53.9
59.15622	0.4
65.09940	0.5
67.03040	0.4
68.84027	0.4
69.03454	2.8
70.03489	0.4
71.01381	21.4
72.99310	0.7
73.02946	4.8
75.00890	0.7
78.83043	0.5
78.95898	6.5
79.95735	1.6
81.03481	1.0
83.01382	2.2
85.02951	3.1
89.02439	19.7
91.05540	0.4
95.01363	0.5
96.96005	100.0
96.96915	11.8
97.02906	3.4
99.00882	4.8
101.02446	5.7
113.02451	3.9
115.04008	2.0
121.02949	5.1
125.02434	9.1
131.03502	1.9
133.05074	1.0
143.03548	0.8
149.04587	2.9
153.01944	12.0
161.04601	4.7
164.04825	2.5
166.06358	32.6
168.04279	9.5
179.07193	1.8
181.08717	30.0
183.06673	0.7
191.05669	1.0
233.06668	7.1
235.08337	3.4
293.08749	6.8
353.61874	0.5
417.17517	4.6
424.08514	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73777	0.8
54.18664	0.7
57.03452	1.5
59.01388	56.8
61.98824	6.5
69.03437	4.3
71.01382	44.4
72.99310	1.9
73.02934	4.9
74.91154	0.8
75.00858	1.5
81.03431	4.2
83.01389	3.9
83.05033	1.6
85.02957	7.7
87.00864	1.5
89.01882	1.8
89.02438	50.4
95.01353	1.7
96.95985	6.8
97.02951	9.1
99.00896	6.8
99.04524	1.3
101.02457	11.4
101.88100	0.8
107.04986	0.8
108.02180	25.9
109.02917	3.6
113.02451	7.4
113.06065	1.3
115.03995	4.8
119.03489	3.7
121.02938	1.5
122.03708	1.5
123.04517	23.9
125.02434	24.0
127.03989	1.2
131.03476	2.0
137.02444	3.5
138.03259	1.5
139.04024	1.1
139.32660	0.9
143.03508	1.9
149.02402	3.2
149.04539	5.9
150.03178	0.9
151.00381	3.8
151.03995	1.4
153.02068	1.2
153.05577	33.5
153.09227	5.0
154.82835	0.9
157.05067	1.0
158.59267	0.9
165.01968	2.1
165.05576	4.3
166.02715	82.8
167.03488	36.8
179.05550	1.1
181.05080	100.0
182.05859	19.5
191.05637	5.2
193.01421	8.1
194.97884	0.8
196.07436	1.5
197.08185	4.0
202.10005	8.8
208.03783	14.6
217.12308	7.8
223.06137	22.9
225.04073	22.6
226.04877	12.5
233.06656	16.6
235.13362	0.9
239.43156	1.1
240.06422	1.6
241.07132	3.0
293.08798	43.4
296.52844	1.0
297.10437	1.1
297.13434	5.0
330.25266	0.9
403.12460	4.8
417.13889	1.2
441.17627	5.6
462.13968	1.9
477.16162	97.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.177
Annotation	Scorzodihydrostilbene D
Peak:m/z	Relative Intensity
52.19643	0.7
59.01387	31.0
61.98832	10.3
69.98203	0.7
71.01374	11.9
72.86501	0.7
72.99304	1.0
75.00875	1.8
75.17262	0.7
76.92600	0.7
83.56777	0.7
85.02943	4.2
87.00859	0.7
88.53091	0.6
89.02444	9.9
101.02422	6.2
113.02444	3.1
115.35779	0.7
118.03300	0.7
119.03506	4.0
120.99620	1.1
129.97784	0.7
195.14667	0.7
200.08342	0.9
206.73900	0.9
220.91608	0.8
239.07143	8.1
240.07951	1.1
241.08723	1.3
243.80847	0.9
253.08740	2.5
254.05908	7.8
254.09567	5.6
267.06607	9.8
269.08224	31.1
269.11493	2.8
282.09024	11.3
283.09854	1.6
284.10529	23.8
286.08560	1.7
297.06583	3.0
297.11349	11.1
300.10275	1.3
314.07959	4.1
315.12415	4.1
417.24731	1.4
462.15387	19.3
477.17703	100.0
478.18161	2.8
480.31888	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.3
55.76655	0.3
59.01385	38.0
59.91895	0.3
61.98814	0.5
69.03447	1.6
71.00985	0.5
71.01378	14.0
72.99289	0.4
73.02952	3.2
75.41348	0.3
78.95898	7.8
79.95734	2.1
81.03459	0.4
83.01386	1.5
85.02943	3.2
87.00848	0.5
89.02435	13.1
96.96001	100.0
96.96913	13.0
97.02945	2.2
98.66750	0.4
99.00893	2.7
101.02442	3.3
111.32794	0.3
113.02454	1.9
115.04016	1.8
121.02947	4.0
125.02429	6.3
131.03500	0.5
133.05025	0.6
143.03514	0.6
149.04559	1.7
153.01920	10.1
161.04596	4.1
163.03969	0.6
163.34703	0.4
164.04810	2.5
166.06340	29.0
168.04283	6.7
173.74298	0.4
179.07156	1.6
181.08701	22.4
183.06537	0.7
191.05695	0.6
193.96202	0.4
207.10313	1.3
233.06625	5.7
235.08240	2.6
293.08716	5.1
310.41748	0.4
417.17700	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	477.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13626	0.3
59.01392	3.8
60.99314	17.5
61.98841	2.6
62.85779	0.4
65.96800	0.3
71.01382	0.8
72.99309	7.4
82.95407	0.8
87.00858	1.4
88.98804	100.0
89.02441	22.1
89.99110	0.4
91.00370	0.7
96.95999	1.4
101.02428	0.5
114.89817	0.3
153.09256	0.6
181.08701	0.4
197.08327	0.4
234.15862	0.3
262.64243	0.4
315.08679	0.4
373.38675	0.4
373.43991	0.4
477.23410	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	477.263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	46.9
61.87241	36.2
61.98824	100.0
81.40823	40.2
89.48783	41.9
116.71814	44.6
142.15602	43.0
236.19865	45.4
279.23169	83.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73761	2.8
59.01376	7.5
61.98829	3.9
66.00449	3.0
71.01373	13.1
89.02473	3.8
116.92812	3.8
161.68483	3.1
228.35898	3.7
279.23282	100.0
321.24417	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	477.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35415	8.5
59.01385	19.7
61.54161	9.5
61.98829	100.0
77.00657	41.3
77.10125	9.2
78.78580	10.5
78.95872	18.2
81.08855	10.4
81.19170	11.2
116.92863	13.8
162.89494	10.2
206.31441	10.5
224.61369	11.8
228.91667	11.7
244.03014	11.8
252.88921	10.6
255.23296	58.1
257.37866	15.0
279.23297	13.5
319.03275	11.5
337.21695	84.9
415.23233	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21041	0.6
54.16990	0.6
55.01881	0.9
58.00586	1.3
59.01107	1.4
59.01389	32.2
70.02976	0.6
71.01380	14.4
73.02952	5.6
75.00854	0.7
77.82399	0.7
78.95892	0.8
85.02948	2.8
89.02437	3.9
95.01380	1.3
101.02424	1.5
113.02444	7.1
116.92912	0.8
125.48565	0.7
161.04597	0.7
191.77145	0.7
239.23674	4.8
251.23788	0.8
255.23322	70.7
256.23590	1.5
267.23361	3.7
269.24890	100.0
270.25198	1.4
279.23285	5.7
281.24789	0.8
297.24362	19.1
309.24124	1.2
313.23914	5.2
327.25366	1.6
439.16675	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00601	1.2
59.01157	1.2
59.01390	24.6
60.30423	1.2
61.98840	2.1
71.01376	17.8
72.99294	1.7
73.00226	1.2
73.02921	2.4
75.00870	2.0
89.02419	3.1
101.02422	3.3
101.46547	1.4
113.02464	10.1
116.92809	1.4
128.84496	1.4
251.23793	2.2
255.20615	3.3
255.23305	100.0
267.23245	3.0
269.24878	80.9
270.25140	2.5
279.20306	1.3
279.23318	8.4
297.24393	21.0
309.24442	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	478.157
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01901	0.1
59.01395	1.1
60.99333	0.7
61.98845	100.0
71.01383	0.5
73.02935	0.1
88.98809	3.6
89.02444	2.3
89.02955	0.1
89.13524	0.1
89.99171	0.4
90.02779	0.2
91.02865	0.1
99.00903	0.1
101.02440	0.2
113.02428	0.1
120.01270	0.5
128.74741	0.1
149.04619	0.1
150.04919	0.1
288.78445	0.1
291.01566	0.1
365.97354	0.1
418.17230	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52162	0.1
51.72790	0.1
54.82398	0.2
57.08588	0.2
59.01407	1.3
60.01736	0.2
60.24817	0.2
61.01810	0.2
61.98843	100.0
65.15166	0.2
74.10786	0.2
75.46119	0.2
146.03780	0.3
147.04138	0.9
164.04846	0.3
165.05165	0.3
168.09863	0.2
179.07124	1.2
180.07558	1.0
181.07808	0.7
218.18364	0.2
226.61914	0.2
338.78528	0.2
461.36902	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01222	0.1
59.01382	1.3
60.93579	0.1
61.98835	100.0
71.01389	0.7
71.65221	0.2
72.99305	0.2
73.02940	0.2
85.02964	0.3
88.98811	0.2
89.02438	0.2
92.11597	0.1
92.64968	0.1
96.96035	0.7
101.02460	0.7
130.08725	0.3
161.04568	0.2
185.16660	0.3
270.10550	0.3
271.11050	0.2
416.16571	0.3
417.16895	0.6
418.16702	0.5
478.24020	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.6
64.08360	0.3
66.33927	0.4
71.01386	0.7
71.05052	0.3
72.99310	0.4
73.04067	14.4
74.02460	0.6
75.00886	0.5
78.95911	0.7
81.03443	0.5
82.02965	0.3
85.02921	0.4
87.00858	0.4
92.12012	1.6
96.95998	0.7
96.96931	1.4
101.02432	0.4
109.57896	0.4
111.04503	1.4
114.09238	0.6
116.07149	0.5
116.18867	0.4
127.04030	1.5
127.50266	0.3
128.03517	0.5
130.08730	82.5
135.03004	1.4
137.02469	0.5
141.10329	0.7
142.03337	0.6
143.11908	35.8
147.10252	0.3
153.05531	0.7
155.03433	1.5
165.01924	0.5
165.24164	0.4
169.08711	0.4
171.34154	0.4
177.01924	1.3
187.10892	94.3
188.11205	0.6
199.02502	0.5
217.12033	0.5
224.50531	0.3
230.14482	0.3
231.08812	5.2
231.13510	100.0
232.13922	0.4
313.56158	0.4
346.21011	0.3
482.34250	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2945
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
50.14201	0.2
53.24320	0.2
58.03484	0.2
61.56774	0.2
61.98830	0.6
76.57581	0.3
78.95902	100.0
96.96955	9.2
140.01254	0.2
152.98331	0.5
152.99591	16.5
171.00652	21.9
200.15096	0.2
214.04910	0.3
235.71719	0.2
247.56425	0.3
292.47089	0.3
404.25650	1.6
478.29446	55.0
479.29919	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	478.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
61.39243	0.1
61.98819	0.7
62.96439	0.2
78.95899	20.9
83.96629	0.2
86.98628	0.1
122.00146	1.3
134.98534	0.3
140.01181	5.7
152.99586	1.8
166.02727	0.3
196.03822	9.0
196.05649	0.3
214.04893	2.1
279.06604	0.1
281.24872	100.0
282.25214	2.2
295.34805	0.2
306.49442	0.2
478.29443	31.1
479.29721	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99073	0.1
78.95896	5.5
79.40841	0.1
122.00159	0.2
140.01183	2.3
152.99576	0.6
192.31145	0.2
196.03770	0.8
214.04865	2.1
281.24860	100.0
282.25229	3.1
340.91904	0.1
478.29471	10.0
479.29691	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
60.96156	0.2
61.98845	0.3
62.23700	0.2
76.87815	0.2
78.95903	100.0
83.78101	0.2
96.96954	8.8
130.99118	0.2
137.52109	0.2
140.01207	0.3
150.98029	0.3
152.99591	15.2
171.00644	19.0
186.29813	0.2
191.31139	0.2
191.41901	0.2
356.77332	0.2
404.25497	1.9
478.29468	51.4
479.29706	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	479.1198
Annotation	Padmatin 5-glucoside
Peak:m/z	Relative Intensity
53.42015	0.4
57.03452	4.6
58.75134	0.3
59.01386	10.4
60.99307	2.0
61.98840	6.9
65.00327	0.6
69.03452	0.5
71.01380	6.7
72.99326	3.7
72.99676	0.4
73.02940	1.0
74.02480	0.8
75.00890	0.9
78.95900	6.6
79.95740	1.8
80.02670	0.5
81.03450	0.9
83.01382	3.8
84.23016	0.4
84.95127	0.5
85.02946	2.8
87.00885	2.8
88.98801	18.6
89.02439	6.5
93.03443	2.1
95.01392	1.1
95.05038	1.9
96.96004	100.0
96.96911	11.4
97.06597	0.8
101.02440	5.4
107.01401	2.3
109.02969	1.0
111.04512	0.6
113.02439	2.0
119.03461	0.9
120.01214	3.3
121.02966	1.8
124.01642	2.2
125.02436	41.4
127.05054	0.4
129.10359	0.7
135.49182	0.4
136.01620	1.9
137.02478	2.6
139.04025	2.6
139.63341	0.5
149.02443	3.9
151.00388	11.1
151.04044	1.0
152.01158	7.6
153.01903	5.0
155.10780	7.7
161.04594	0.9
165.01944	11.9
167.03462	0.6
178.99884	5.9
185.17653	0.4
188.04877	0.6
192.04301	0.6
195.77640	0.4
199.09787	4.1
209.04639	1.9
227.03497	0.9
227.10861	1.9
230.05847	0.7
240.04272	0.7
255.06807	0.7
256.03845	3.1
258.05472	0.6
262.10355	0.5
273.07761	1.1
274.04837	2.0
279.12094	0.7
284.03265	12.0
289.07214	27.1
299.05643	21.2
299.18738	1.8
307.13968	1.7
317.06772	10.6
317.10413	0.9
317.19846	1.1
361.14923	0.8
451.12378	0.6
461.10971	0.6
461.24496	0.5
478.23972	0.8
479.12003	25.7
479.18030	2.5
479.25018	34.6
480.13242	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55000	0.9
55.01884	1.1
57.03456	5.3
59.01386	31.0
59.19673	1.1
61.98819	2.0
67.11481	0.9
67.38150	0.9
71.01381	14.4
73.02947	1.7
82.15742	1.3
83.05025	4.6
85.02951	4.3
87.00874	5.2
89.02450	16.5
96.96025	1.8
97.06586	2.2
101.02455	9.9
104.42083	1.0
113.02436	6.0
119.03503	5.5
123.08160	12.5
124.05318	1.5
137.09688	1.7
139.07681	7.7
151.07654	5.8
153.09271	1.6
161.04539	1.3
161.09747	2.5
162.03291	1.1
169.10271	2.1
171.11772	13.6
179.05550	5.0
179.10764	12.0
189.12895	5.1
191.10751	2.7
192.52028	1.2
201.12912	6.7
207.14009	1.3
219.13992	1.8
237.14987	17.6
239.12943	4.7
257.14050	14.6
281.13968	100.0
305.13892	2.2
419.19312	15.7
443.19144	2.3
479.17072	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	479.1691
Annotation	Agastinol
Peak:m/z	Relative Intensity
59.01387	53.9
61.98831	7.0
63.34954	3.5
63.67739	3.3
71.01375	19.8
75.00870	19.7
84.14199	3.8
85.02927	5.9
87.00838	6.6
89.02438	17.0
96.95993	50.6
96.96929	4.2
98.95579	17.7
101.02435	8.3
107.05025	7.0
113.02433	5.9
119.03497	5.5
123.08123	5.4
149.02480	4.3
150.03233	26.7
165.05528	27.1
171.11720	5.3
195.06627	15.6
214.03065	9.3
237.14784	13.1
261.00052	3.8
281.13947	100.0
305.13809	9.0
323.14969	15.4
419.96481	5.3
473.91702	3.9
479.17001	90.0
491.63031	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	479.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	1.7
57.37394	1.1
59.01389	14.0
61.28701	1.0
61.98838	28.6
68.09775	1.1
71.01374	6.1
73.02932	1.5
75.00883	5.4
75.87670	1.0
83.01372	1.7
83.04985	1.4
83.17629	1.3
85.02930	2.5
87.00854	5.2
87.04511	5.7
88.98785	1.6
89.02422	6.5
96.96001	7.3
99.00854	1.5
101.02447	11.0
106.36261	1.2
108.02172	1.1
108.29032	1.2
113.02473	2.3
123.04478	2.5
123.08139	2.9
125.06098	8.5
135.04536	1.9
139.04007	1.2
149.02448	1.5
150.03253	2.2
151.07628	2.3
153.09203	1.3
155.10847	2.1
159.08266	1.2
161.04642	1.8
165.05589	5.4
171.11804	5.3
177.01933	2.3
189.12793	1.6
191.10747	1.1
195.06616	4.4
201.12917	2.5
207.13962	1.9
227.12976	2.2
237.14941	11.5
239.12901	2.2
241.07283	1.6
258.62466	1.4
281.13965	100.0
305.14008	15.6
323.15033	14.8
333.61078	1.4
349.83594	1.5
353.16193	9.6
357.29214	1.2
383.17303	8.0
389.18179	8.4
419.18860	4.5
426.67020	1.2
443.19452	2.5
479.17007	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1693
Annotation	Agastinol
Peak:m/z	Relative Intensity
50.29789	3.7
59.01383	32.4
59.44105	4.4
61.95530	3.8
61.98819	7.9
70.22922	3.9
71.01376	28.6
75.00877	18.7
84.95113	4.9
87.00846	5.2
88.27396	4.6
89.02435	19.0
96.70367	4.3
96.95986	35.4
101.02427	20.2
115.00442	4.8
123.08125	7.7
137.02448	5.1
150.03221	24.9
161.04315	5.1
165.05568	21.0
171.11815	6.1
189.12845	4.9
195.06586	8.1
214.03056	9.8
229.05424	5.6
237.14906	9.9
281.13950	100.0
305.14026	20.9
323.15036	18.6
479.17001	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	4.8
59.01386	12.3
61.98831	1.5
63.02520	1.1
65.03947	1.4
66.42953	1.1
71.01363	2.9
73.02951	1.2
75.36242	1.2
82.22864	1.1
83.05040	3.2
87.00868	6.6
87.60551	1.3
89.02418	5.2
92.12357	3.7
96.95998	8.7
99.00857	1.2
101.02424	2.9
104.98379	1.2
113.02419	1.5
114.69273	1.4
121.06634	1.9
123.08158	9.5
125.73138	1.2
139.07652	1.9
171.11806	14.7
173.05890	1.3
189.12851	2.6
199.43213	1.5
201.12839	5.4
207.13885	2.3
219.13751	1.5
237.14919	19.7
281.13962	100.0
323.14886	2.0
419.19177	5.1
419.30246	1.3
479.16998	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.4
60.99313	15.9
60.99625	0.5
61.98836	0.6
63.39689	0.2
71.01379	1.3
72.99279	0.3
73.02945	0.3
83.01388	0.3
84.95135	0.3
85.02937	0.3
87.00873	1.6
88.00410	1.0
88.04042	0.5
88.98802	100.0
89.02442	26.5
92.11665	0.6
93.03449	0.5
96.96017	0.4
101.02449	0.4
119.04116	0.3
135.08168	0.3
136.84483	0.2
137.02432	0.3
137.09731	0.5
150.43901	0.3
155.10791	4.8
187.09731	0.3
199.09752	2.6
216.73553	0.2
241.10884	0.6
299.18768	0.4
479.18219	1.6
479.25101	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	479.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09962	3.6
52.92964	3.3
59.01390	10.1
61.98856	3.7
71.01389	19.3
89.02393	4.6
92.12297	6.9
101.31490	4.2
110.15095	4.1
190.08807	4.7
196.86218	4.6
269.45834	4.2
281.24847	100.0
323.25916	17.3
495.32050	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	479.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82405	19.4
56.33621	17.1
59.10648	14.0
61.98829	100.0
70.27881	15.0
107.44373	18.5
128.65208	18.9
146.58324	18.3
154.25270	18.0
195.14850	18.2
223.82802	18.5
281.24982	29.8
372.60760	17.9
402.34558	17.2
460.19366	17.6
479.27826	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	479.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89472	13.6
59.01390	18.6
61.98820	100.0
62.89584	13.0
63.19870	12.7
67.44664	12.1
67.60009	15.0
159.05821	15.2
176.70184	14.5
279.23172	29.4
310.40805	14.5
377.30350	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	480.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55635	0.1
57.20948	0.1
58.51891	0.2
59.01386	1.4
61.98842	100.0
71.01392	0.9
74.42404	0.2
75.00885	0.2
80.23620	0.1
80.81461	0.1
89.02465	0.7
92.11706	0.3
101.02454	0.3
108.02222	0.3
109.35175	0.1
119.03534	0.2
120.01250	5.1
121.02966	0.7
124.04869	0.2
124.15552	0.1
130.08792	0.2
134.49794	0.1
156.57677	0.2
210.85707	0.2
239.42799	0.2
269.08133	1.9
283.09998	0.6
299.09299	1.5
311.09283	1.2
314.11563	1.7
318.10837	0.6
318.30579	0.2
326.11874	0.9
329.13968	3.2
329.17163	0.2
341.14127	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	480.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.2
61.69849	0.1
61.98837	100.0
62.98471	0.1
71.01389	0.6
73.02966	0.2
75.00904	0.1
75.16779	0.1
76.15660	0.1
85.02963	0.2
87.00887	0.2
89.02444	1.3
92.12459	0.2
95.39981	0.1
96.96013	0.9
99.00890	0.2
101.02463	0.7
105.97955	0.1
110.13880	0.1
113.02462	0.1
120.01257	0.5
120.99611	0.2
130.08760	0.8
131.03546	0.1
149.04610	1.0
150.03221	0.5
151.03563	0.2
153.09195	0.5
165.05621	0.5
166.05879	0.2
172.09921	0.6
195.06734	0.2
197.08228	0.2
256.84875	0.1
258.23865	0.1
293.08972	0.2
299.11581	0.2
311.10028	0.5
417.14209	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3102
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
54.82808	0.4
59.01108	0.7
59.01388	18.1
61.98835	61.9
63.99709	0.4
66.52491	0.4
77.79846	0.5
78.95901	20.8
88.65977	0.5
122.00142	1.0
140.01183	7.3
152.99586	1.1
155.43808	0.5
196.03802	9.3
198.74536	0.5
214.04852	2.0
246.12117	0.5
283.26447	100.0
284.26819	2.0
331.30121	1.0
375.28845	2.8
393.30420	4.0
480.30991	31.9
481.31332	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82748	0.5
56.59877	0.4
59.01389	0.4
61.98829	0.6
78.26799	0.4
79.59451	0.4
101.49532	0.4
111.54771	0.4
116.92884	0.7
126.68996	0.4
153.09204	0.5
185.85223	0.5
206.48198	0.5
335.94998	0.5
480.34891	100.0
481.35156	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	481.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	3.3
59.01386	51.2
60.83892	3.8
61.98543	5.2
61.98835	100.0
63.99258	9.8
71.01379	25.0
73.02925	8.2
75.00879	15.0
78.95885	4.2
85.02950	7.6
87.00838	4.6
89.02415	22.7
96.95979	16.1
98.95583	9.9
101.02429	16.4
103.03970	4.4
111.64644	3.7
113.02450	9.3
119.03555	6.1
121.98565	4.0
125.02426	5.3
131.07144	16.7
137.02367	7.2
143.03445	4.6
149.02592	5.2
177.01892	3.9
181.90517	4.6
184.79544	4.8
237.14932	4.9
281.13995	48.7
301.07217	5.5
305.14169	5.7
421.20953	21.3
445.17087	79.3
481.16354	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	481.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
61.98824	49.9
71.01394	40.9
75.00897	33.2
80.57291	22.5
110.76101	20.2
120.01206	38.7
159.26930	20.2
183.84053	21.6
201.82820	20.2
204.66309	24.7
218.78560	22.6
232.18834	23.9
281.13901	28.0
329.14090	29.1
335.28751	22.4
421.20908	42.6
468.29187	27.2
485.38477	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	481.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.5
57.03431	1.0
58.00593	1.8
59.01394	88.0
59.83004	1.1
69.03462	10.2
71.01388	74.4
71.05023	13.2
72.99318	1.8
73.02953	13.8
75.00875	3.7
81.03455	5.3
83.01384	7.9
85.02946	9.5
87.00886	1.9
88.98754	1.7
89.02443	92.8
92.12389	1.2
95.01357	4.0
97.02934	13.9
99.00881	18.5
99.04494	2.2
101.02435	16.1
103.82138	0.9
108.11407	1.0
111.00887	4.0
113.02442	7.7
115.04022	11.1
125.02441	43.1
127.03947	7.5
131.03502	6.2
133.28706	1.0
143.03508	4.4
149.04576	10.9
161.04504	1.8
173.04491	1.3
191.05624	8.3
199.57613	1.1
215.78546	1.0
233.06674	25.3
241.04977	3.4
256.07416	2.4
271.09613	4.9
293.08810	100.0
294.09174	4.0
421.13672	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	481.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	5.3
57.03450	4.0
57.87806	0.5
58.00610	0.7
59.01382	27.1
61.98833	18.9
62.93062	0.7
69.03453	1.1
71.01378	51.8
73.02939	26.0
75.00861	1.7
78.95901	3.6
83.01389	8.0
83.41656	0.6
85.02944	25.9
87.00885	3.1
89.02434	15.9
92.11677	1.3
95.01382	4.2
97.02943	3.6
99.00877	9.8
101.01762	1.3
101.02430	34.6
111.00889	0.7
113.02444	22.6
115.04005	1.0
125.02438	3.1
127.11337	1.0
129.01918	1.2
131.03484	1.6
143.03499	1.5
152.99608	4.4
159.02975	3.2
161.04550	12.2
191.05655	1.0
197.62032	0.7
199.62964	0.8
233.06726	1.6
289.16632	19.0
293.08768	1.0
373.73569	0.7
421.20847	100.0
422.21442	1.0
481.21539	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01149	0.6
59.01392	9.2
60.99007	0.9
60.99312	19.2
61.98817	2.2
65.66006	0.5
67.36417	0.4
68.31784	0.4
68.96571	0.5
69.29692	0.4
71.01385	6.5
73.02956	0.8
74.25211	0.4
75.31866	0.5
83.01392	0.9
85.02954	2.7
87.00873	3.1
88.00390	0.5
88.98804	100.0
89.02441	43.6
96.96024	0.8
99.00872	0.6
101.02420	4.3
101.48769	0.5
103.34376	0.5
113.02448	2.5
125.02470	0.7
126.56463	0.4
131.03490	0.8
141.01761	0.7
153.53577	0.5
161.04573	3.6
179.05666	0.4
192.01468	0.5
218.46597	0.5
221.06723	1.9
231.14088	0.5
244.29028	0.6
293.08792	0.6
322.44745	0.5
392.15692	2.4
422.16763	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	483.115
Annotation	Esculetin 6-O-brta-D-[6'(3-hydroxy-3-methylglutaryl)]glucoside
Peak:m/z	Relative Intensity
54.82309	0.1
57.03461	1.8
59.01387	1.1
60.28708	0.1
61.98829	0.3
64.79294	0.1
68.30338	0.1
71.01381	0.3
71.32923	0.0
71.34451	0.0
72.99305	0.2
73.02952	0.1
78.95882	0.1
79.79840	0.1
81.03468	0.4
88.98800	0.1
89.02452	0.2
89.03454	0.1
89.03977	1.7
95.01395	0.1
95.05003	0.1
96.96010	1.4
96.96959	0.1
99.04507	0.3
101.02437	0.3
104.02675	0.5
105.03463	3.2
109.02961	0.1
113.44514	0.1
116.05020	0.1
121.02937	1.0
125.02480	0.1
130.69638	0.1
132.29480	0.1
133.02956	9.1
139.04013	0.1
141.01718	0.2
148.00677	0.1
148.01628	0.5
149.02455	1.1
157.59592	0.1
161.04575	0.1
169.07681	0.1
176.01158	1.8
177.01938	100.0
178.02319	0.7
209.04552	0.6
212.17462	0.1
219.02979	0.1
228.75613	0.1
321.06119	0.3
339.07239	14.7
340.07510	0.2
341.10965	0.1
381.08307	6.2
421.11441	1.0
483.11459	1.7
483.17593	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	483.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00604	1.4
59.01386	100.0
61.98832	9.0
71.01382	38.6
72.99302	2.5
73.02943	21.6
74.99101	2.0
75.00861	1.6
79.93479	1.4
82.83785	1.4
82.95406	4.5
83.01364	1.5
85.02957	9.8
85.06629	1.3
87.00868	2.4
88.86416	1.1
88.98803	6.4
89.02439	86.6
96.00887	1.5
96.95994	2.8
99.00885	22.8
101.02434	40.6
102.80264	1.3
103.03993	1.8
108.27802	1.2
111.53245	1.2
113.02450	6.9
113.07132	1.3
114.01925	1.2
115.00389	1.9
115.03963	1.8
119.03485	5.6
125.02412	2.2
129.66234	1.1
131.03477	13.2
133.01450	5.3
141.01712	8.3
143.03485	7.3
149.04559	64.5
161.04597	8.9
163.06134	14.9
191.05602	15.5
205.07155	4.9
206.42197	1.2
210.16182	1.8
221.06721	18.3
234.92519	1.3
243.03760	1.5
251.07704	8.3
281.08762	1.5
293.08746	7.5
298.36298	1.3
311.09824	33.7
341.10938	7.5
368.22766	1.5
378.46771	1.3
404.16132	1.5
445.37833	1.4
483.25659	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13160	0.1
59.01377	0.3
68.94621	0.1
78.95901	8.9
79.95731	1.4
81.62921	0.1
82.55772	0.1
92.11770	0.1
96.96008	100.0
96.96923	15.4
97.06149	0.1
106.89234	0.1
164.81348	0.1
177.01935	3.4
255.40103	0.1
259.75244	0.1
339.07175	0.5
429.60767	0.1
445.16934	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	483.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56940	2.4
52.81035	2.2
53.86477	2.7
59.01111	4.9
59.01387	100.0
61.92611	2.4
61.98825	3.8
71.01379	18.0
73.02923	4.2
75.09413	3.6
78.95913	29.1
82.35303	2.8
85.02953	4.7
88.25896	3.0
89.02437	21.8
101.02442	5.9
113.02449	6.0
123.89493	2.7
126.63069	3.2
126.90462	4.1
128.39017	3.5
131.03615	3.8
141.01741	20.8
146.70688	3.1
149.04567	5.0
152.99576	27.9
247.78548	2.8
341.10974	11.7
447.22406	38.9
483.19180	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01107	5.3
59.01387	100.0
59.91709	2.9
61.98829	21.4
68.23109	3.2
71.01382	16.9
74.96313	3.1
78.95902	27.3
81.33860	4.0
85.02949	3.6
89.02442	21.6
96.95999	5.6
96.96954	5.7
100.04895	3.2
101.02447	8.4
119.03530	5.9
141.01732	17.6
152.99606	31.1
229.64929	3.5
261.13791	4.0
288.70761	3.9
303.12381	6.5
316.26117	4.7
341.11099	17.0
447.22238	40.3
483.19226	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2239
Annotation	Taxumairol X
Peak:m/z	Relative Intensity
56.99131	1.1
57.03468	1.8
59.01387	100.0
69.09449	1.1
69.79379	1.2
71.01387	21.9
71.01771	1.7
71.12269	1.0
71.12729	1.0
73.02933	2.2
78.95912	9.6
85.02951	13.3
89.02423	8.8
95.01397	1.7
101.02427	15.3
103.18850	1.2
109.63512	1.3
111.69763	1.2
113.02454	6.2
119.03480	2.0
119.77737	1.4
141.01744	7.5
152.99596	10.2
161.04564	17.2
167.89319	1.3
199.30154	1.2
218.62804	1.3
229.76830	1.4
249.14833	1.2
341.10876	6.0
342.61011	1.3
362.53867	1.3
423.20032	14.9
443.94534	1.3
483.23035	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	3.2
57.03465	1.3
59.01395	100.0
60.51578	0.6
61.98842	24.2
69.03471	0.7
71.01392	24.5
73.02958	8.6
76.44783	0.6
76.59061	0.6
78.95913	1.0
83.01385	4.5
83.05019	1.5
85.02953	12.4
87.00883	0.7
89.02433	3.9
94.15034	0.6
96.95978	1.0
99.00872	4.0
101.02444	19.8
105.83608	0.7
113.02451	8.6
118.41219	0.6
119.03557	0.9
120.81941	0.7
125.02440	0.8
141.01709	4.0
159.02966	2.3
161.04559	13.2
171.08083	1.0
201.12906	1.1
205.98639	2.6
216.96492	0.6
231.13925	7.3
233.15558	0.8
241.15387	0.7
241.89598	0.6
275.16498	3.7
276.03992	0.7
277.16559	9.9
321.17169	9.6
341.10712	3.1
422.21677	0.8
423.21762	22.1
446.98325	0.7
483.22427	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49228	0.3
52.97379	0.3
57.03451	2.3
59.01385	3.7
59.44183	0.4
67.01903	3.4
71.01393	0.5
78.95911	0.5
84.65469	0.4
85.02943	1.0
87.00880	8.1
95.96881	0.4
96.44294	0.4
96.53164	0.4
96.96037	0.5
109.45158	0.4
111.00879	100.0
152.99567	0.5
173.00885	7.1
214.71265	0.4
237.06953	0.5
309.20801	0.8
432.25601	0.4
439.28619	9.3
453.35031	0.5
462.14377	0.5
465.64560	0.5
483.27621	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	483.273
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
51.19274	0.2
52.36755	0.2
55.68938	0.2
78.95470	0.4
78.95896	7.3
81.51026	0.3
88.45707	0.3
92.11736	0.5
96.96942	0.4
103.31666	0.3
129.57579	0.2
148.32425	0.3
151.38600	0.2
152.99586	11.5
153.00774	0.5
157.75703	0.2
171.00684	1.0
188.41589	0.3
190.59119	0.3
208.37593	0.2
227.03221	1.8
245.04405	1.2
255.23309	100.0
256.23633	0.4
483.27335	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	483.3119
Annotation	Lantanoic acid
Peak:m/z	Relative Intensity
59.01375	0.5
62.81321	0.2
67.02197	0.3
69.27941	0.3
73.92948	0.3
75.05801	0.3
78.95919	0.3
89.83705	0.3
92.11667	0.6
126.30867	0.3
134.16028	0.3
137.09703	0.3
142.77029	0.3
361.20718	0.3
377.24957	0.3
421.31143	1.5
437.30194	0.7
439.32184	28.4
453.30466	0.4
483.31204	100.0
484.31650	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	483.312
Annotation	Lantanoic acid
Peak:m/z	Relative Intensity
50.02506	0.8
52.06890	0.9
55.07223	0.7
55.17383	0.7
57.03461	1.1
59.01379	1.8
61.87387	0.7
61.98824	1.3
74.49128	1.0
83.05028	1.0
85.06594	0.9
93.83243	0.9
97.06561	0.9
115.18884	0.9
116.92846	1.0
123.08156	1.8
137.09718	37.6
149.09709	4.1
157.59904	0.9
177.89464	0.8
179.30968	0.9
242.16801	1.0
380.31699	0.8
405.28116	3.9
421.26431	1.1
421.31607	11.2
437.30548	5.4
439.32083	10.4
483.31213	100.0
484.31540	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	485.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84791	0.2
59.01382	2.0
61.98827	0.8
66.50224	0.2
71.01389	1.3
73.02933	0.9
81.03428	0.7
82.95408	0.4
84.75588	0.2
85.02941	0.3
89.02449	1.2
89.03950	3.0
95.01350	0.2
95.05025	0.2
96.95982	1.2
99.00872	0.3
99.92592	0.7
101.02456	0.8
105.03451	4.5
113.02426	0.3
116.92855	10.9
116.97243	1.0
117.01915	1.6
117.05663	0.2
119.03499	0.2
128.03529	0.2
131.03497	0.3
133.02953	10.5
133.03957	0.4
144.47786	0.2
148.01669	1.0
149.02446	1.2
167.03499	0.8
176.01173	1.7
177.01932	100.0
178.02251	0.8
226.04814	0.3
228.64883	0.2
241.06966	0.2
293.08835	0.8
323.13464	0.4
485.12991	14.8
485.18719	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	7.4
59.01385	9.2
61.98829	9.4
70.49495	1.4
71.01378	3.3
73.98598	1.4
75.00861	2.1
81.03431	1.8
83.01389	5.8
87.00854	1.7
89.02416	5.2
91.69965	1.3
93.03419	1.8
95.05030	3.4
96.96019	9.6
97.02949	6.3
98.05769	1.4
99.00894	2.0
99.04528	3.5
101.02450	3.2
107.38038	1.5
109.02963	20.6
111.04510	5.9
119.15182	1.4
121.02930	2.8
123.00913	6.0
124.01690	2.8
125.02438	100.0
131.03435	1.6
137.02434	36.5
138.03220	2.2
139.04022	29.8
143.03502	3.5
147.00801	1.6
149.02443	1.5
149.06223	1.5
151.41240	1.3
161.02408	1.7
164.01152	6.8
165.01910	22.7
167.03513	25.1
175.04027	2.1
177.01950	2.2
177.05545	2.9
179.03476	21.1
182.02304	2.4
191.07135	2.4
203.03401	2.8
204.04401	1.7
219.00612	1.5
219.06657	15.1
221.04559	9.2
221.10097	1.8
258.40567	1.7
261.07840	2.1
269.68872	1.4
305.06708	97.1
341.10474	1.7
353.14578	1.8
485.14734	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.8
63.99075	0.1
68.23969	0.1
70.71497	0.1
71.01389	0.3
77.60093	0.1
78.95899	6.8
79.95737	1.2
84.69386	0.1
89.02443	0.3
96.96004	100.0
96.96912	11.9
101.02428	0.2
113.02460	0.2
143.19048	0.1
224.85989	0.1
230.96495	0.1
425.20337	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.3
55.10019	0.9
57.54612	0.7
58.00604	2.1
58.57062	0.9
59.01389	90.8
61.66129	0.7
61.98824	4.0
62.36259	0.9
69.43601	0.9
71.01385	50.6
71.81593	0.8
72.98929	1.0
72.99310	4.7
73.02937	5.2
82.95431	1.2
83.01369	3.6
85.02962	10.5
87.00855	2.2
89.02452	38.8
95.01385	1.5
96.95985	9.1
96.96976	1.7
97.02925	1.2
99.00907	1.6
101.02448	25.3
113.02456	10.9
115.00381	10.2
117.05568	4.2
119.03490	13.0
125.02473	1.3
128.03510	1.3
131.03444	1.6
133.01439	18.7
137.06070	1.2
144.08189	1.1
145.07713	17.4
148.53746	0.9
149.04550	5.5
159.09309	2.3
160.06433	45.4
161.04539	3.9
161.05931	1.6
161.07230	44.8
161.08575	1.8
173.10863	6.5
175.08707	1.4
179.05621	1.6
183.09279	1.2
185.10838	1.3
186.07935	1.3
187.08772	24.0
189.06708	28.7
201.10356	30.9
203.12050	1.0
229.09834	89.1
245.11952	1.3
277.11932	6.7
279.14505	5.4
305.11469	100.0
306.11569	1.6
393.14139	1.9
425.20483	12.6
449.16412	1.4
485.17505	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	485.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46043	0.2
59.01376	0.5
62.57547	0.2
62.70198	0.3
68.66743	0.3
69.67867	0.3
71.01384	0.4
73.02979	0.4
79.48430	0.3
87.04511	64.0
88.04039	1.2
99.00870	0.7
101.02439	0.6
110.27956	0.3
113.02457	5.5
114.01926	0.3
130.08723	1.3
131.03502	100.0
132.03023	1.8
170.68538	0.3
221.10280	1.1
229.79865	0.3
266.76465	0.3
272.97772	0.3
306.55011	0.3
353.14774	1.5
432.76788	0.3
471.17212	0.3
505.05911	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.08122	0.2
69.03460	0.7
71.01376	0.3
73.02966	0.2
75.82551	0.2
87.04511	65.6
88.04042	0.5
97.42473	0.2
99.00875	0.3
101.02457	0.3
103.20702	0.2
107.39428	0.2
113.02437	5.4
113.03203	0.3
113.03517	0.2
115.43418	0.2
130.08731	1.0
131.03496	100.0
132.02995	1.3
132.03877	0.5
313.90625	0.2
353.14700	0.7
354.15002	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96575	43.7
56.71696	40.2
57.04124	39.4
59.01389	100.0
61.98836	58.1
66.79179	50.8
75.17180	56.6
96.95975	61.3
108.67075	49.0
110.21061	57.1
133.86806	57.3
138.30975	59.1
158.64989	46.0
175.06442	51.7
196.52321	57.1
237.89445	53.9
293.74323	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26143	0.3
59.01380	3.5
59.65363	0.4
61.98796	0.5
62.65056	0.3
63.53123	0.4
71.01381	12.0
71.05019	18.6
84.19939	0.4
85.02917	0.4
88.04042	100.0
88.16073	0.4
88.39278	0.4
88.94084	0.4
89.02444	0.9
92.12402	0.6
96.06934	0.4
96.96016	1.8
99.04520	8.0
107.06116	0.6
108.02188	2.6
115.00352	0.8
116.03524	0.5
116.07179	3.8
121.10033	0.5
129.05611	1.9
130.08749	0.6
143.03526	0.6
144.04581	0.4
146.08240	56.7
152.01183	2.8
153.01926	0.8
187.10912	0.6
217.12003	0.7
218.10359	92.0
219.10666	0.5
223.67068	0.4
315.07291	2.4
320.73083	0.5
321.80640	0.5
341.11096	1.0
367.01276	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88025	0.1
54.82581	0.2
56.21192	0.2
57.03449	0.7
59.01377	0.3
61.39276	0.1
61.98824	0.2
66.72643	0.1
72.94009	0.1
83.05022	0.4
85.06574	0.7
92.12415	0.3
97.06592	0.8
109.06576	0.7
111.00895	0.3
114.41320	0.2
123.08135	1.4
135.08206	0.3
136.69107	0.2
137.09718	14.2
170.06929	0.2
220.42174	0.2
241.58176	0.2
256.26834	0.2
355.26474	1.0
359.24368	0.2
373.25266	0.3
385.27682	0.3
389.28601	1.1
390.71854	0.2
399.25284	0.3
405.27963	1.2
407.29529	4.6
414.00357	0.2
421.31119	0.9
423.28110	0.6
423.33377	3.8
425.30786	1.2
439.32230	5.3
440.32773	0.2
441.33884	3.8
451.28763	1.3
455.31613	0.9
467.31778	1.1
483.31204	0.2
485.32788	100.0
486.33279	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	485.3279
Annotation	beta-Kudinlactone
Peak:m/z	Relative Intensity
51.97332	0.6
53.49020	0.5
57.03460	1.1
59.01384	2.8
61.98811	0.8
64.34415	0.6
71.05013	4.5
87.00882	0.7
88.89583	0.6
91.73640	0.5
92.11678	0.7
96.95998	1.2
110.41269	0.6
111.00885	17.5
113.96255	0.6
123.08175	6.0
136.94499	0.7
137.09698	0.9
159.40680	0.6
189.60550	0.7
245.59097	0.8
269.43399	0.6
306.35666	0.7
338.61191	0.7
407.29745	0.9
423.28342	1.3
423.33350	1.0
439.32495	1.0
441.33960	1.1
467.31723	0.8
485.32837	100.0
486.32999	1.4
497.84338	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82607	3.5
56.72725	2.8
56.93034	2.7
58.00569	3.9
59.01383	5.9
60.99320	4.0
69.91898	2.8
69.95744	2.4
76.26384	3.1
78.95890	4.7
90.71417	2.8
91.35422	2.6
95.54177	3.8
95.73269	2.7
108.46385	2.5
147.93506	3.1
191.71234	3.2
195.59436	3.9
249.29407	3.4
283.35614	3.3
328.08710	3.2
407.29865	7.0
425.30847	6.2
439.32361	39.3
447.13406	16.9
455.31680	30.4
457.29758	13.7
473.32709	100.0
483.31409	6.1
485.32791	6.2
491.33997	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	485.3277
Annotation	2-Hydroxyrubiarbonone E
Peak:m/z	Relative Intensity
56.81573	1.0
59.01382	2.6
69.11340	1.0
70.83460	1.0
93.35551	1.0
106.41119	1.1
116.92786	1.5
130.58972	1.3
135.36157	1.0
165.19226	1.0
178.13783	1.0
243.96417	1.0
368.00519	1.1
418.64389	1.2
437.30557	4.5
455.31726	83.3
455.88739	1.1
456.32040	2.4
457.38785	1.1
470.32782	1.0
485.32770	100.0
486.33344	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	486.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91216	0.5
59.01383	3.7
63.20399	0.5
64.34535	0.6
71.23195	0.6
88.04040	53.1
117.63631	0.6
140.65915	0.7
147.08162	1.5
149.09764	1.5
161.09761	1.1
163.11241	4.6
170.11914	0.7
187.11281	3.0
265.12308	0.8
280.14883	1.0
309.22314	3.7
337.21783	100.0
338.22067	1.5
378.73367	0.7
470.77954	0.7
482.77570	0.7
486.26941	13.5
499.40137	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50476	0.6
54.35620	0.6
54.53206	0.5
59.01378	5.9
61.98831	1.6
70.23241	0.6
71.01382	18.3
72.99285	0.8
75.00834	1.1
76.54926	0.7
78.95884	5.9
79.95748	1.3
85.02933	0.8
89.02442	1.1
91.01859	1.1
93.03441	1.4
94.98038	0.7
95.01383	0.7
96.00913	1.1
96.95998	100.0
96.96919	14.1
101.02425	1.1
104.20061	0.7
108.02174	1.3
109.02946	10.6
109.66705	0.6
115.00357	10.9
119.05009	14.1
120.39532	0.6
121.02953	4.8
123.00873	1.1
123.04493	6.1
128.03485	0.8
132.02158	4.4
133.01416	1.4
133.02982	5.2
134.03743	7.2
135.04526	1.3
136.01672	15.3
137.02440	8.9
138.03168	1.5
145.02910	2.6
146.03734	3.9
147.04521	21.2
149.02458	5.4
149.06035	1.0
150.03239	0.8
151.04004	5.1
153.05576	11.0
158.03729	6.3
159.04503	7.8
160.05315	7.6
161.02432	4.1
161.06062	15.0
162.03276	0.8
163.04007	3.6
164.04774	1.4
173.06055	5.5
175.04007	4.6
175.07623	4.8
176.04802	3.1
176.08434	1.1
191.03539	0.8
191.07158	3.9
192.04291	49.7
193.04959	1.5
219.06676	1.6
239.07137	3.0
250.06374	1.1
251.07169	5.1
262.06314	0.7
266.05862	4.1
267.06644	12.9
278.05606	0.6
279.06577	5.6
281.08163	9.5
282.09061	10.8
293.08078	0.8
294.05518	1.3
294.08951	2.6
296.10596	2.9
297.07730	4.4
297.11316	13.3
297.14621	1.3
308.05493	3.2
309.11108	0.8
312.10062	6.4
323.05716	1.1
326.08011	0.9
327.08423	1.0
327.12354	25.0
338.07867	1.3
341.10278	9.1
353.10358	7.0
371.11322	14.6
474.00739	0.8
487.22156	1.1
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
55.18874	0.3
57.90591	0.3
59.01389	4.7
59.80685	0.3
60.41051	0.3
61.98826	1.3
71.01382	2.7
73.02929	0.3
75.00860	0.4
82.95408	0.6
85.02988	0.3
89.02440	3.0
93.03452	0.5
96.96008	3.0
96.96934	0.5
99.00848	0.4
101.02471	0.5
106.04228	0.7
109.02956	0.3
111.00856	0.4
113.02430	0.5
116.92815	0.7
117.03441	0.4
120.01266	0.3
121.02963	2.5
125.02411	0.5
131.03514	0.3
131.07127	0.5
133.02969	2.1
134.03731	86.5
135.04060	0.5
137.02437	14.8
139.03996	6.2
149.06073	27.3
150.03201	1.9
165.01868	0.3
176.01143	3.9
178.02707	60.6
179.03104	0.5
191.03497	3.3
193.05055	100.0
194.05421	1.5
247.13451	0.3
293.08606	0.6
486.26755	0.4
487.14642	42.7
488.15292	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.0
71.01382	24.1
72.19344	0.2
72.99305	5.3
73.87770	0.2
87.00882	0.9
87.04522	3.7
88.04063	1.6
88.04838	0.3
89.02434	3.2
92.12354	0.7
94.88047	0.3
115.00358	62.1
131.03481	4.3
132.03014	2.9
132.03764	0.6
133.01418	100.0
133.04990	2.5
136.03670	0.2
212.73380	0.2
213.16934	0.2
254.29126	0.2
355.87277	0.3
358.57767	0.2
437.19968	0.2
504.76279	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.7
58.02971	0.8
59.01376	2.7
67.02988	0.4
71.01363	1.7
72.00877	0.4
74.02471	2.6
82.02981	0.7
82.69417	0.3
84.04566	4.6
84.43671	0.3
85.02905	0.3
89.02433	2.5
95.28619	0.4
97.04037	0.6
98.02431	0.6
99.05640	0.6
101.02451	4.9
101.07204	2.6
102.05610	19.2
107.02542	0.4
109.04066	8.3
113.02485	0.5
113.03539	0.4
125.03583	5.1
127.05135	22.2
128.03531	21.7
145.01419	5.9
145.06189	100.0
146.04588	34.2
146.06424	0.8
160.85786	0.4
191.08076	0.4
285.43326	0.4
286.81454	0.4
333.57999	0.4
341.10852	4.8
343.99570	0.4
389.67325	0.5
410.23276	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54575	0.1
59.01381	0.6
59.92316	0.1
64.58118	0.1
64.60770	0.1
64.78945	0.1
71.01381	0.1
77.62102	0.1
78.95905	8.1
79.95729	1.5
90.70823	0.1
94.39693	0.1
96.96008	100.0
96.96919	12.5
106.36716	0.1
107.15217	0.1
125.02422	0.2
354.20740	0.1
389.99167	0.2
422.31659	0.1
469.44547	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.211
Annotation	11-Methoxykopsilongine N(4)-oxide
Peak:m/z	Relative Intensity
51.34001	9.2
58.85362	7.6
59.01379	52.1
61.98836	15.3
63.68733	9.8
76.56456	8.5
90.16779	7.8
101.52097	7.8
155.04890	9.7
349.25977	9.5
355.17404	10.4
451.32968	14.1
487.20337	100.0
487.30978	85.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	13.7
67.23757	1.5
71.01384	1.7
72.76820	1.4
78.95908	8.6
96.96025	1.8
98.54591	1.9
130.90758	1.4
137.09729	1.6
139.11292	7.0
171.10234	2.5
173.01364	1.8
189.53471	1.6
197.12122	1.6
199.02995	1.6
211.02805	1.7
223.02959	1.7
225.04410	3.4
227.06055	19.8
253.07520	2.4
263.06094	7.4
265.07620	36.8
267.09174	61.7
269.07050	19.2
279.05588	2.0
295.22775	3.6
309.06787	4.2
309.10150	29.9
311.08206	7.0
327.10931	1.8
349.16986	19.0
365.16357	13.6
367.18033	23.0
427.20184	100.0
487.12967	2.7
487.30106	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	487.3064
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
59.01381	0.2
61.56444	0.2
72.99924	0.2
77.62170	0.2
77.89521	0.2
89.97713	0.2
96.96009	1.1
104.25079	0.2
130.77254	0.2
168.31578	0.2
425.30914	0.2
445.12622	0.2
451.32822	1.4
487.30634	100.0
488.31012	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22470	0.1
52.25961	0.1
53.62772	0.1
54.46872	0.1
57.03439	0.1
59.01388	0.2
66.43796	0.1
67.70507	0.1
79.13459	0.1
108.62820	0.1
128.93230	0.1
144.77150	0.1
164.91690	0.1
169.78131	0.1
177.94568	0.1
251.67387	0.1
286.33633	0.1
363.27109	0.2
377.28531	0.3
379.30127	0.7
391.29794	0.4
393.31659	0.2
409.31171	1.5
421.30981	0.2
487.34323	100.0
488.34726	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	487.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60533	0.3
59.01376	1.7
61.98831	0.8
65.78094	0.4
69.05251	0.5
71.05026	5.3
72.47542	0.4
94.96633	0.4
144.77322	0.4
147.34111	0.4
160.20555	0.4
168.15660	0.4
182.82362	0.4
193.81883	0.4
251.06181	0.5
296.09937	0.4
301.96805	0.4
349.17075	1.8
367.26517	0.5
369.28076	0.5
427.20071	2.9
487.34378	100.0
488.34647	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	487.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22034	0.2
59.01373	0.5
61.98828	0.2
83.05005	0.3
86.33475	0.2
155.16267	0.2
169.08630	0.3
216.01349	0.2
393.28040	0.3
409.31256	0.3
423.32849	1.0
441.33917	1.3
487.34366	100.0
488.34729	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	487.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76723	0.1
55.57082	0.2
76.57425	0.2
91.57996	0.2
93.65402	0.2
94.66039	0.2
95.22600	0.2
140.58279	0.2
204.83240	0.2
255.43317	0.2
370.86331	0.2
407.29526	0.2
409.31244	0.4
439.31799	0.3
486.33493	0.4
487.34354	100.0
488.34631	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3434
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
55.04911	0.7
57.03450	4.0
59.01374	2.7
61.98827	0.7
65.55935	0.6
79.10795	0.6
79.16140	0.6
81.29603	0.6
92.12333	0.8
97.70069	0.6
109.06828	0.7
116.92832	0.9
136.59747	0.7
385.31189	3.8
429.30276	1.4
443.34995	1.0
487.34357	100.0
488.34671	3.4
493.56149	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46147	0.2
58.62232	0.2
59.01381	0.6
61.96685	0.2
66.21574	0.2
71.01380	1.5
72.01686	0.2
74.02481	0.5
82.03004	0.4
83.90601	0.2
84.04556	1.3
85.02991	0.3
89.02442	0.3
101.02440	1.0
102.05610	58.0
109.04071	1.1
114.87380	0.2
115.00379	1.7
116.03541	0.3
116.78633	0.3
117.01919	0.3
124.88949	0.3
125.03547	0.3
127.05119	2.6
128.03537	39.5
128.05482	1.0
133.01431	2.0
134.01750	0.4
145.01384	0.6
145.06200	11.0
146.04599	100.0
147.03032	0.5
176.28156	0.3
194.13914	0.3
332.87549	0.3
356.71234	0.3
414.53030	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07143	0.2
58.02942	0.2
59.01387	3.3
61.98796	1.2
66.61748	0.2
71.01391	2.3
73.02902	0.3
77.29733	0.2
82.95417	6.5
83.01330	0.3
84.95081	1.4
85.02937	0.5
87.00874	15.6
89.02407	0.5
93.38445	0.2
94.98043	0.3
94.98644	0.2
96.95982	0.8
97.02896	0.2
97.09811	0.2
101.02457	2.0
102.98595	2.4
106.84250	0.2
108.02149	1.5
109.02924	1.7
113.02442	0.4
119.03453	0.3
123.00805	0.2
130.08734	0.2
135.00815	0.4
136.01584	0.3
146.64661	0.2
150.98538	0.3
152.01147	2.2
153.01923	1.2
161.04504	0.3
163.00389	2.2
164.01199	0.5
178.98108	2.0
179.98875	0.3
189.99121	0.5
190.99872	17.0
192.00661	7.1
194.97536	1.5
195.98347	6.3
207.03008	11.8
207.04967	0.5
222.97041	0.4
223.97870	100.0
224.98218	1.6
239.00217	50.3
240.00548	0.4
283.05008	2.7
370.15063	0.2
401.14740	1.2
429.10474	3.1
429.21420	0.5
451.18549	0.3
489.07416	2.2
489.16583	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20306	0.4
55.01878	0.4
57.03457	45.9
59.01387	6.6
61.98825	1.7
71.01386	3.9
75.00849	0.9
77.26457	0.4
79.01078	0.4
82.95414	1.1
83.01345	1.6
84.95115	5.1
85.02924	0.7
89.02431	2.2
92.12299	0.7
96.95982	0.9
96.96981	0.5
99.00859	0.8
99.04515	18.2
101.02433	9.7
107.05027	0.7
110.04147	0.4
111.00874	0.6
113.02428	0.9
119.18063	0.4
121.02930	1.0
122.03748	4.6
123.04519	0.8
123.08169	0.5
125.02436	11.2
134.03761	7.2
135.00890	0.7
135.02985	2.6
135.04509	1.1
137.02400	0.5
138.03268	0.6
147.67368	0.4
149.02423	0.7
149.06088	3.5
150.03259	5.6
153.01945	19.4
153.05568	9.1
161.04616	0.6
168.04280	38.0
178.02710	6.0
181.58284	0.5
183.06624	100.0
184.07042	0.8
193.05055	12.3
195.06628	1.8
235.06216	1.6
237.14717	0.5
249.14952	0.8
267.08704	0.8
281.14005	2.2
293.09155	0.5
363.46933	0.6
429.13870	0.7
429.21646	0.6
461.72040	0.5
489.09714	0.6
489.16138	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	489.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83992	0.8
57.03440	1.7
58.00603	1.7
59.01386	100.0
60.25771	0.8
71.01382	26.6
72.99312	1.9
73.02943	26.3
83.01387	1.1
85.02931	8.9
86.00076	1.3
87.00869	8.5
87.04506	4.1
89.02436	20.6
96.96001	5.3
101.02438	37.8
103.04008	16.8
113.02441	2.1
115.03998	8.1
117.01877	1.0
119.03515	6.5
125.02423	1.2
127.04045	1.2
130.41229	0.9
131.03496	9.3
143.03505	11.8
145.05066	6.1
161.04462	1.3
163.06128	49.8
197.05417	1.1
205.07166	19.6
245.42265	1.1
265.09406	6.8
316.56232	1.0
325.11136	1.0
353.29166	1.0
358.37390	1.1
367.98315	1.3
429.17685	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	489.271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.5
58.99350	0.5
59.01393	8.1
60.91073	0.5
67.98236	0.5
71.01388	4.8
75.00885	5.7
83.05047	0.6
89.02438	3.9
96.96015	0.7
97.02939	1.1
97.06577	2.2
101.02432	1.2
105.21184	0.6
113.02413	0.8
113.09748	1.3
115.07597	0.5
125.06092	1.2
126.06829	0.7
139.11296	0.9
141.09242	1.0
149.42502	0.5
165.12846	3.3
167.14355	0.9
179.05656	0.7
181.12372	3.2
183.13962	0.6
186.85541	0.5
193.12318	0.7
195.13918	0.7
211.13429	3.2
221.15506	0.9
229.14417	1.8
240.13705	2.3
247.20685	4.7
262.11890	2.3
273.18643	2.3
291.19672	30.5
292.20148	0.8
309.20746	100.0
310.21127	3.2
331.18817	1.3
338.10571	4.5
350.12024	0.6
407.17517	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43999	0.1
54.82222	0.1
54.88232	0.1
59.01368	0.2
65.50054	0.1
78.95901	7.0
79.83899	0.1
79.95728	1.6
96.96004	100.0
96.96919	12.9
102.77115	0.1
109.41212	0.1
134.17050	0.1
152.31024	0.1
185.57217	0.1
198.98805	0.2
312.43973	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	490.16
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24528	0.8
57.03425	0.8
59.01383	49.3
71.01377	35.5
85.02937	4.2
87.00852	1.9
89.02438	55.3
95.01363	1.0
98.61288	1.0
100.04021	6.5
101.02446	19.9
102.05584	4.2
113.02451	17.2
119.03484	16.1
129.01917	1.8
131.03445	1.1
143.03514	2.1
144.75641	1.0
146.04588	5.3
147.03061	1.1
147.04767	1.1
148.04379	75.0
149.04646	1.4
161.04591	5.3
179.05603	19.6
180.06656	1.3
225.17307	1.3
268.21323	1.1
274.39191	1.1
341.10916	100.0
452.54782	1.0
484.49997	1.1
486.11301	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46904	0.3
50.85445	0.3
52.00867	0.3
54.47110	0.3
59.01388	9.8
60.99307	0.9
61.55942	0.3
61.98535	0.6
61.98841	11.4
63.90464	0.3
71.01385	7.1
71.77460	0.3
72.99299	1.8
73.02943	1.7
74.02449	0.4
74.68335	0.3
75.00871	100.0
76.01230	0.4
79.19610	0.3
82.95428	0.6
83.01379	0.6
84.95106	1.2
85.02962	0.6
87.00884	3.7
88.03989	0.3
88.98806	5.1
89.02444	9.2
94.00053	0.3
96.96011	0.5
97.02956	1.3
99.00879	2.0
101.02435	1.7
107.05042	6.5
113.02458	0.7
115.00404	0.4
119.03600	0.4
119.05031	5.3
125.02448	1.9
128.03545	0.4
130.08737	0.7
131.03545	0.3
134.03769	1.6
137.06071	6.7
149.04607	0.7
149.06111	0.6
178.02754	0.5
179.03210	0.5
180.03297	0.4
191.05521	0.4
193.04961	2.6
194.05426	1.7
233.06816	1.7
251.54898	0.3
256.32550	0.4
293.08844	6.3
321.80566	0.3
353.88406	0.4
413.48657	0.4
431.15610	2.2
431.23166	0.7
468.41690	0.4
519.63721	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77771	0.5
56.24365	0.4
56.60740	0.4
59.01394	0.5
74.02596	0.5
78.95906	65.6
85.74896	0.5
92.65797	0.6
96.96973	6.1
150.97993	2.2
152.99591	100.0
171.00630	1.1
189.20602	0.5
226.66116	0.5
255.23314	1.2
276.44595	0.5
401.22458	0.5
409.23654	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97538	0.5
54.82233	0.4
61.98810	0.6
78.95908	69.9
80.04686	0.4
81.43042	0.4
83.21915	0.5
96.96963	6.9
135.97169	0.4
136.79309	0.5
150.98029	1.5
152.99586	100.0
171.00676	2.1
255.23242	3.8
294.82492	0.5
298.03506	0.6
318.72995	0.4
375.24695	0.5
409.23615	39.1
410.24207	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	4.7
61.98820	0.7
71.01378	3.3
78.95473	0.8
78.95904	14.7
89.02428	3.1
94.12865	0.5
95.45007	0.5
96.96925	0.9
101.02421	0.7
115.07696	0.6
119.03500	0.6
127.07661	0.9
141.96512	0.6
152.99599	18.6
155.00044	0.6
162.03204	0.9
167.14415	2.5
171.00525	0.6
177.05536	0.6
179.05597	0.7
183.13896	2.4
195.13931	8.6
211.13428	0.7
214.64885	0.8
242.15210	0.9
289.24295	0.6
293.21255	6.5
311.22314	100.0
312.22650	2.8
319.13831	0.7
333.20233	0.9
354.94138	0.6
409.18848	1.1
431.21921	3.4
491.17352	2.1
491.24069	1.0
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
57.31222	0.1
59.01394	2.5
61.98842	100.0
62.04031	0.1
71.01394	0.7
73.02956	0.8
83.00998	0.1
84.71257	0.1
85.23466	0.1
89.02468	0.6
100.93363	0.1
101.02412	1.2
103.02879	0.1
105.95044	0.1
109.02924	0.2
119.03506	0.2
120.01218	0.2
130.08769	0.1
136.31604	0.2
138.91879	0.1
163.06223	0.2
164.06459	0.2
238.75107	0.2
267.06760	0.3
282.09079	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00353	6.3
56.75276	7.2
57.03479	7.8
57.13929	6.7
59.01390	96.2
61.98834	53.7
69.03471	11.5
71.01405	55.2
71.22139	6.6
73.02940	16.1
75.00861	29.4
76.91866	7.1
82.95425	12.8
85.02946	11.2
89.02455	73.6
90.20815	7.5
92.34776	6.9
99.00868	11.6
101.02442	37.7
101.23615	7.9
107.59651	9.1
121.02967	9.5
125.02428	37.9
148.05354	31.8
163.07634	10.7
191.05777	8.0
202.06380	14.2
233.06721	36.8
269.11914	11.0
293.08762	100.0
331.11838	63.0
418.99207	8.8
433.24203	17.5
493.15549	81.9
493.23642	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	493.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80201	6.1
59.01385	100.0
61.98825	39.7
71.01371	49.2
72.99294	10.4
75.00873	15.2
82.95408	17.2
83.61840	7.3
85.02938	8.9
88.98886	10.2
89.01960	7.7
89.02417	63.8
94.80376	9.2
98.95461	7.1
101.02431	18.4
101.69383	6.8
125.02398	11.1
163.06174	15.9
168.53130	7.7
185.51355	8.2
187.09377	9.8
210.38989	7.1
212.57443	6.6
264.88751	8.4
279.79541	8.4
290.56439	8.2
293.08749	38.5
328.13440	8.8
493.15753	30.4
493.22931	10.5
510.40576	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	493.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
57.03433	0.9
58.00594	2.2
59.01384	89.0
62.20676	1.0
63.04740	0.9
68.34299	0.9
69.03442	9.4
71.01381	80.6
72.99297	2.2
73.02944	18.2
73.05819	1.2
75.00860	4.6
81.03437	6.4
83.01382	6.8
84.19504	0.9
85.02935	10.6
87.00851	1.9
89.02439	100.0
90.13029	1.0
92.02960	1.0
94.88747	0.9
95.01372	2.1
96.95955	1.3
97.02936	15.9
99.00881	18.6
99.04495	2.5
101.02433	17.3
111.00877	2.0
112.98627	1.2
113.02437	8.4
114.19945	0.9
115.03998	13.0
123.00935	9.0
124.00747	1.9
124.01651	37.6
125.02434	51.1
127.03963	1.5
131.03500	9.2
138.03241	1.7
139.03981	11.8
143.03517	4.9
149.04526	12.0
161.04501	2.0
181.05043	1.2
189.07489	0.9
191.05634	7.3
233.06662	27.6
293.08798	84.6
433.07770	2.3
433.13577	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14081	0.5
59.88675	0.4
72.75967	0.4
78.95899	55.5
82.95393	0.6
83.47643	0.5
90.10130	0.5
92.41142	0.5
96.96966	9.1
136.91768	2.3
146.76413	0.5
150.98019	1.3
152.99588	100.0
156.86581	0.6
171.00613	3.4
179.62646	0.5
210.95468	2.4
281.24936	2.3
435.19653	1.0
435.25235	17.6
467.80536	0.8
493.21024	16.5
493.31808	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2296
Annotation	Ustiloxin D
Peak:m/z	Relative Intensity
54.24528	0.2
55.01881	1.8
56.26730	0.2
57.03458	2.2
58.00600	0.5
59.01387	17.9
69.03453	0.9
71.01381	14.5
71.05013	1.2
72.99310	4.5
73.02943	5.4
75.00829	0.3
80.27627	0.2
83.01392	2.3
84.19852	0.2
85.02942	5.9
86.00092	0.3
87.00861	2.9
89.02440	6.8
92.11707	0.4
92.60478	0.2
95.01362	1.1
97.02946	1.0
99.00876	4.4
99.04532	0.3
101.02437	9.1
111.00871	0.9
112.01683	0.3
113.02438	3.8
115.04015	0.5
116.92867	0.3
119.03495	1.0
125.02449	1.2
131.03551	0.8
135.38589	0.2
141.01904	0.4
143.03491	0.3
153.12825	2.4
153.66911	0.2
168.58727	0.2
181.12378	2.4
189.75168	0.2
191.05626	0.3
199.13425	20.9
200.13779	0.4
211.13419	0.3
238.28722	0.2
241.14639	0.3
251.40933	0.2
343.17676	3.6
361.18735	30.5
362.19171	1.2
363.08759	0.3
397.24826	0.3
440.02176	0.2
447.78613	0.3
475.21930	1.4
493.22955	100.0
494.23340	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	495.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82806	1.4
57.03431	1.6
59.01135	1.6
59.01387	21.3
61.98828	6.0
71.01393	13.5
73.02941	5.0
75.00871	5.3
78.95911	2.5
81.03474	1.6
83.01379	2.3
85.02946	11.2
89.02446	2.4
94.63689	1.3
95.01353	1.9
96.96001	3.4
99.00847	2.2
101.02437	11.7
102.27091	1.4
108.02173	100.0
109.02956	59.7
113.02454	6.9
123.00821	2.6
129.73361	1.3
152.01160	72.8
153.01953	21.9
153.09200	9.4
161.04532	2.1
163.04105	2.0
222.54037	1.6
289.16714	11.1
345.17078	1.7
435.22284	19.5
451.16046	21.7
495.15179	71.6
495.25067	9.1
495.31674	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	495.1646
Annotation	Gilvocarcin E
Peak:m/z	Relative Intensity
50.56795	7.0
59.01382	81.9
61.98835	85.0
65.91315	7.9
71.01369	54.9
74.06461	8.3
75.00862	9.9
86.69325	9.2
87.00867	10.5
89.02429	62.0
90.20609	7.8
92.11789	16.7
92.81306	8.6
93.16954	8.1
96.96012	12.8
97.02910	8.5
113.02412	14.2
123.23795	8.4
125.02425	35.1
135.25552	8.6
150.06837	16.8
152.01118	10.9
230.42342	9.8
233.06578	11.4
293.08823	100.0
495.16208	77.1
495.31949	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	495.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62220	0.3
51.92232	0.3
59.01387	100.0
59.23443	0.4
60.14391	0.4
60.86414	0.4
66.67047	0.5
69.03468	0.7
71.01387	3.3
73.02948	0.6
78.95926	1.1
85.02956	0.9
87.92536	0.7
89.02454	1.0
96.96001	6.4
96.96963	1.1
97.02944	0.7
99.00900	1.0
101.02457	2.2
109.02963	0.7
109.05951	0.5
113.00978	0.8
113.02460	1.1
113.65783	0.5
115.14394	0.5
117.00421	0.9
125.01003	0.7
125.02483	0.9
139.13239	0.5
141.00627	1.4
141.01700	40.3
155.02063	0.6
157.01457	0.8
163.14868	0.5
183.01491	0.8
221.10397	2.0
241.97478	0.4
243.03490	0.5
299.12283	0.4
303.09384	8.8
353.14569	7.4
435.13730	7.4
459.15433	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	495.209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.3
57.03459	2.0
58.00596	1.8
59.01385	73.4
61.98833	15.0
69.03448	4.5
71.01380	74.0
72.99303	2.5
73.02945	22.9
75.00871	4.4
76.69958	0.9
78.95900	1.2
81.03461	2.1
81.48409	0.9
83.01379	5.1
85.02943	14.4
87.00886	1.9
88.98799	3.9
89.02437	100.0
90.39140	0.9
95.01350	1.8
95.05015	1.7
96.95988	1.6
96.96962	1.1
97.02945	20.0
99.00875	31.1
99.04475	1.2
101.02435	39.7
109.02976	1.4
111.08120	0.9
113.02441	14.2
115.03993	2.2
118.32146	1.0
119.03515	1.0
123.08147	5.1
125.02425	17.0
127.07681	7.2
131.03499	13.9
137.02441	16.4
138.03195	2.0
139.04002	2.0
141.09180	4.2
143.03493	4.1
149.04550	58.8
152.04756	1.5
154.06190	1.1
159.02942	1.2
161.04562	6.8
163.00264	1.4
163.20747	1.4
163.22078	1.1
164.01044	1.1
165.01952	7.9
166.02765	1.2
166.81493	1.0
171.06607	3.8
178.02791	1.1
179.03549	1.9
191.03868	1.9
191.05574	17.2
193.04984	1.5
195.06593	1.0
217.05045	1.7
221.06688	5.5
233.06686	9.2
235.06126	5.9
247.09891	1.0
250.08395	2.2
251.07709	7.1
259.06219	2.1
265.10898	2.1
274.08597	2.1
293.08804	22.7
311.09827	4.3
315.08780	4.0
333.09836	48.2
357.09833	4.7
357.40704	1.0
417.18045	1.4
435.18735	34.7
435.24585	1.9
495.17410	7.4
495.24542	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	495.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42679	0.5
55.01883	1.0
57.03451	1.1
58.00602	1.1
59.01387	72.7
61.98834	7.1
68.99547	0.7
69.03451	2.5
71.01383	58.2
72.99300	2.3
73.02945	22.3
75.00866	1.4
75.05719	0.5
81.03456	0.9
83.01388	3.8
85.02952	13.9
87.00877	1.2
88.61307	0.5
88.98796	3.6
89.02443	100.0
89.70795	0.6
90.02785	0.8
92.05902	0.6
92.12376	1.0
95.01348	1.0
96.87969	0.5
97.02947	3.9
99.00234	1.1
99.00877	29.7
101.02441	35.9
109.06635	0.6
113.02456	11.8
114.93399	2.3
115.04005	3.0
119.03513	2.4
123.08145	1.4
125.02429	7.6
127.07638	2.4
131.03490	12.2
137.02396	1.1
139.04005	0.6
141.09277	0.8
143.03487	2.7
149.04559	58.8
153.05678	0.9
161.04565	6.2
171.06657	3.6
182.05853	1.1
191.05605	15.3
197.08167	2.5
198.08476	0.8
199.08687	0.9
221.06682	7.6
233.06622	2.9
251.07704	9.8
272.25739	0.7
293.08887	6.5
311.09924	4.2
417.17337	0.9
435.18582	6.2
495.17346	3.9
495.24261	1.2
502.89352	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74446	0.2
57.29199	0.2
59.01390	1.9
61.98835	100.0
65.73082	0.2
67.73002	0.2
71.01387	1.0
71.05008	0.9
73.02939	1.0
78.56094	0.2
81.63436	0.2
87.00864	0.5
87.04510	1.1
88.04038	0.3
89.02443	0.9
99.00922	0.4
99.92568	1.2
114.41368	0.2
115.04005	87.6
116.92848	13.7
117.01932	0.9
124.01620	0.2
142.05093	13.0
143.60132	0.2
144.47792	0.2
183.40834	0.2
218.10347	0.3
246.07303	0.3
295.09290	0.3
330.26337	0.3
353.27777	0.3
374.48355	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38877	0.2
61.98837	4.2
62.96418	0.2
72.34889	0.2
78.95901	49.1
84.43040	0.2
92.12335	0.3
96.96954	6.8
128.29851	0.2
139.36415	0.2
142.48204	0.2
150.98021	2.3
151.63531	0.3
152.99588	100.0
153.99985	0.3
167.98051	0.2
171.00664	3.3
228.16025	0.2
279.23221	1.3
327.34146	0.3
387.77634	0.3
409.23618	0.4
433.23648	22.8
434.24014	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49279	0.9
57.52295	1.2
59.01160	0.9
59.01387	18.6
61.98837	1.5
71.01360	8.4
73.02940	2.3
85.02930	4.8
87.04520	2.7
89.02434	5.4
91.54893	1.2
95.01373	4.5
96.96003	2.1
99.00849	1.4
101.02400	5.5
108.02176	71.4
109.02946	50.3
109.54395	1.4
113.02460	2.2
120.74812	1.1
137.09746	8.7
152.01154	83.4
153.01953	25.0
155.10768	30.0
181.08777	1.7
189.07425	1.4
199.09851	2.4
255.98784	1.2
263.62888	1.4
275.12695	1.4
317.21237	12.4
321.53836	1.3
344.35168	1.3
453.17850	1.7
497.16663	100.0
497.27536	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	497.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.7
59.01385	32.7
61.98835	1.6
64.35025	1.1
64.63784	0.9
71.01381	22.2
72.99317	1.5
73.02948	5.9
83.01412	1.1
83.05032	9.4
85.02951	6.3
87.00881	2.5
89.02440	23.2
95.13836	1.0
96.96028	1.4
99.00864	1.5
101.02430	15.9
103.14880	0.9
107.81319	0.9
107.82097	1.2
109.06593	1.6
111.08160	76.9
113.02454	8.3
119.03496	6.1
125.02438	1.0
129.09215	4.3
131.03505	1.5
137.38437	1.1
139.00414	1.3
149.02444	3.9
149.04562	1.3
150.03239	2.3
151.03946	1.5
153.09264	4.8
161.04553	1.0
164.04776	1.4
165.05559	8.9
173.08192	100.0
174.08559	1.9
179.05634	2.5
187.09818	4.5
197.08189	15.6
211.09845	1.2
215.09335	8.9
223.06241	2.3
245.10397	1.5
275.08823	1.2
275.11386	11.0
275.14133	1.0
321.29205	1.0
335.13498	20.4
341.10959	6.8
386.08853	1.0
437.20288	8.0
448.72852	1.1
497.18973	56.8
497.26108	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	497.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.3
57.03454	1.9
59.01391	11.6
61.98821	0.3
64.34663	0.3
71.01392	9.6
73.02944	2.4
73.21265	0.3
81.03481	0.4
83.01390	0.4
83.05039	5.8
85.02960	1.8
87.00865	1.4
89.02447	9.6
101.02452	6.1
109.06599	1.3
111.08163	70.2
112.08494	0.4
113.02442	3.9
115.74914	0.3
119.03474	1.3
125.02465	0.7
125.09773	0.3
129.09225	3.4
135.08154	0.4
143.03519	0.4
151.07674	0.6
153.09216	6.7
161.04573	0.4
173.08191	100.0
174.08598	0.4
179.05659	0.3
187.09747	5.2
197.08220	24.2
199.09853	0.3
209.08267	0.4
215.09274	10.3
245.10335	3.3
275.11374	11.9
275.14175	0.6
279.78961	0.3
317.12546	0.4
335.13519	24.1
336.13788	0.4
341.10846	0.6
356.02185	0.3
392.39172	0.3
405.78952	0.3
437.20367	0.7
497.18848	34.5
498.19470	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.9
57.03440	4.0
59.01385	28.9
60.99300	0.9
61.98823	4.0
68.19219	0.6
71.01379	23.4
72.98923	0.9
72.99304	15.7
73.02936	4.2
76.57976	0.7
78.95870	0.5
80.38614	0.6
82.95399	0.8
83.01389	1.5
83.05029	9.1
85.02957	6.6
87.00845	1.4
88.98794	5.9
89.02430	29.8
91.00362	1.2
92.66096	0.6
95.01359	1.1
96.96001	3.1
97.74462	0.5
99.00881	1.0
101.02435	14.4
104.33179	0.7
109.06593	2.7
111.08153	94.4
113.02442	12.0
116.92872	5.3
119.03488	8.9
125.02399	1.0
129.09190	4.8
130.08716	3.0
131.03519	1.4
143.03545	1.4
143.80328	0.6
149.04555	2.3
153.09204	1.1
154.11406	0.6
161.04576	2.6
167.69226	0.7
173.08176	100.0
174.08586	0.9
179.05571	4.2
187.09743	0.8
197.08243	5.5
206.08257	1.3
210.07698	0.9
215.09392	0.8
242.69753	0.7
273.03055	1.0
275.11490	0.7
295.29901	0.6
309.57880	0.8
335.13480	3.9
341.10953	10.8
435.18179	0.8
437.20425	8.7
497.18890	79.5
497.26129	10.8
498.19348	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2761
Annotation	Leu His Ile Asp
Peak:m/z	Relative Intensity
50.70287	0.7
55.01870	1.9
57.03461	3.0
59.01161	0.9
59.01384	14.0
61.82530	1.0
71.01376	17.4
73.02940	6.7
78.95902	1.5
82.12319	0.9
83.01370	3.9
85.02945	11.7
89.76396	0.9
99.00869	1.1
99.04528	1.0
100.50436	0.9
101.02443	14.3
113.02419	7.3
120.54568	0.9
152.99559	1.4
249.57864	0.9
259.20624	1.9
265.12051	0.9
267.55655	0.9
268.27914	0.8
271.20566	1.2
335.22247	10.0
429.40952	1.1
497.27618	100.0
498.27878	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	497.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.9
76.22845	0.5
81.03455	2.8
83.05030	10.1
92.11739	1.8
124.09615	0.5
125.07191	1.0
126.05617	0.5
141.49217	0.5
148.01620	0.6
150.72881	0.5
152.99586	0.5
176.01180	4.1
191.03542	1.2
207.15018	0.7
224.17795	0.9
225.16037	6.0
242.18759	0.7
333.23102	1.8
367.27209	0.8
381.89035	0.6
388.15887	0.6
389.59930	0.7
433.31793	4.2
451.32962	100.0
452.33130	4.5
497.26132	2.0
497.33536	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	497.3644
Annotation	3beta-Acetoxy-1beta,11alpha-epidioxy-12-ursene
Peak:m/z	Relative Intensity
51.27500	0.3
54.61624	0.4
59.01378	0.5
61.36350	0.3
66.49442	0.3
71.14108	0.4
72.24036	0.4
73.28774	0.5
86.33847	0.4
153.09218	0.6
168.58792	0.4
170.94766	0.4
204.56412	0.4
205.13132	0.4
209.76147	0.4
298.26068	0.4
319.79431	0.5
328.56885	0.4
437.34335	0.7
497.36462	100.0
498.36890	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	497.3643
Annotation	3beta-Acetoxy-1beta,11alpha-epidioxy-12-ursene
Peak:m/z	Relative Intensity
50.31044	0.1
55.24932	0.1
57.94820	0.1
59.01387	4.9
64.63039	0.1
116.92865	0.2
191.04507	0.1
191.48421	0.1
197.10928	0.1
299.91431	0.1
306.27539	0.1
341.52176	0.1
437.34299	3.7
497.36447	100.0
498.36890	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	498.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01403	0.3
61.98832	4.4
64.52291	0.2
73.04050	0.3
74.02464	0.4
78.95898	47.9
85.89436	0.2
96.96949	6.8
114.76415	0.2
143.11913	0.5
150.98015	1.5
152.99582	100.0
171.00615	3.3
200.14082	1.4
202.97572	0.3
207.72163	0.2
226.21681	0.5
269.24857	0.3
270.25226	0.4
281.24847	1.4
288.87872	0.3
435.25201	26.2
436.24734	0.3
454.32907	1.3
459.73764	0.3
498.35532	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
61.98532	0.2
61.98833	3.3
68.99567	0.2
71.01375	0.2
73.02982	0.2
74.02478	0.1
78.95901	7.6
79.66099	0.1
79.95734	1.9
89.02453	0.2
96.96004	100.0
96.96912	12.1
101.02411	0.2
109.59632	0.1
112.98575	0.1
114.39099	0.1
114.46796	0.1
118.39677	0.1
136.01544	0.1
163.00533	0.1
168.38271	0.1
310.23181	0.1
439.21469	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56141	1.6
57.03456	99.9
57.96625	1.7
59.01393	17.1
61.98822	7.1
63.67698	1.5
67.63820	1.5
71.01385	6.9
73.02917	2.8
74.53370	1.7
82.95412	2.2
83.01389	1.7
85.02959	2.9
85.49483	1.8
88.29271	2.0
89.02445	2.8
94.75668	1.9
99.04506	31.2
101.02438	13.3
125.02434	10.7
135.04523	9.5
141.45197	1.8
163.04024	100.0
178.06367	97.1
178.49016	1.9
193.06963	3.7
193.08717	92.0
201.51659	2.1
214.43651	2.1
407.07477	2.1
455.23242	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	499.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82641	1.2
55.01892	1.2
58.00596	2.6
59.01111	1.7
59.01394	52.0
61.98803	0.9
66.42559	1.0
71.01393	20.2
73.02958	13.7
73.58290	1.0
74.83208	1.1
75.00874	2.1
75.18215	1.1
80.00373	1.1
84.92253	1.2
85.02947	7.5
89.02489	1.6
95.78986	1.1
97.78961	1.0
101.02422	5.3
113.02464	9.1
119.03547	1.2
122.99599	1.1
125.06092	2.5
125.09593	1.1
138.10481	1.1
139.07632	1.2
143.06952	1.5
161.04625	1.4
241.72104	1.1
261.22214	1.5
263.23877	2.7
273.22250	9.5
277.21738	100.0
291.23346	61.5
301.21774	9.7
319.22867	17.4
322.40845	1.1
331.23032	1.7
349.23773	1.5
407.40637	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64511	0.2
57.03438	0.3
58.50061	0.2
59.01379	0.4
61.98825	0.3
66.75214	0.3
68.99528	0.3
71.01398	2.2
81.13358	0.3
83.33467	0.3
94.59872	0.2
101.75012	0.3
119.93136	0.3
206.81294	0.3
309.20828	0.4
381.28091	0.3
383.24783	0.4
395.29782	1.0
409.32162	0.3
453.30145	0.4
455.31775	25.6
456.32098	0.6
490.58652	0.4
499.30743	100.0
500.31113	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	499.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.7
60.55948	0.4
61.83929	0.4
64.22896	0.5
100.18021	0.4
238.37494	0.6
240.60603	0.5
311.96371	0.5
341.11115	0.5
409.27008	0.5
455.31772	33.8
499.30753	100.0
500.31290	1.8
507.70432	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
71.76067	0.2
80.07343	0.3
86.99099	0.3
90.97145	0.3
114.98878	0.6
132.98193	2.5
134.97026	0.6
156.99901	2.3
157.03534	3.1
159.01480	3.2
174.99239	29.0
176.98079	0.4
185.55002	0.3
201.02554	32.5
202.02663	0.3
217.00301	80.8
276.98233	0.6
299.01019	0.7
343.03708	1.9
359.01498	45.6
360.01645	0.4
372.69891	0.3
398.90823	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32410	2.8
56.89650	2.7
58.02982	6.5
59.01384	17.3
61.98833	17.2
64.27134	2.8
64.72427	3.2
71.01384	5.8
76.45639	3.1
80.19990	3.4
82.95421	4.4
89.02442	3.6
96.96016	19.6
97.02936	15.5
97.93455	3.0
101.02457	5.5
106.01966	3.1
121.02925	3.1
125.02447	4.5
137.02454	17.9
138.03197	3.1
149.02483	6.7
154.64909	2.9
165.01947	5.0
217.12331	3.3
219.06599	5.2
220.07408	3.5
235.13675	3.6
244.07431	6.8
247.13345	4.4
251.24268	3.6
251.34370	3.2
259.09665	4.2
285.07553	15.5
303.08786	100.0
327.08649	12.7
365.79453	3.2
397.76254	3.2
441.17725	4.3
465.14157	28.1
501.11978	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	501.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34170	0.5
59.01379	1.0
69.03453	0.6
96.95995	7.0
96.96948	0.8
98.98944	0.5
102.05635	0.5
107.01392	1.2
120.02145	0.7
120.92206	0.6
123.00854	2.3
127.05101	0.6
128.03568	0.7
133.98549	0.6
135.00861	3.0
136.15663	0.5
163.00363	9.6
164.01180	0.8
177.01894	0.6
190.99863	33.9
192.00644	100.0
193.01399	3.1
206.02193	18.8
207.02986	88.5
299.93451	0.5
351.85211	0.6
356.88922	0.6
383.06369	0.6
467.38824	0.6
501.12527	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.4
59.01388	3.9
61.98568	0.3
61.98830	2.6
63.46386	0.3
70.59715	0.3
71.01393	2.3
78.95917	3.4
79.95748	0.6
82.95417	8.4
85.02940	0.6
89.02442	1.7
92.26513	0.3
95.01362	0.6
96.96001	73.3
96.96885	3.7
101.02447	1.6
113.02458	1.7
115.00393	0.8
120.02144	0.4
121.03030	0.4
123.00877	1.6
123.04487	0.5
125.02454	2.6
128.03561	0.5
133.01427	1.5
150.03264	0.6
155.10651	0.4
157.58879	0.4
161.04587	0.5
163.00383	3.4
164.01158	4.9
166.02672	0.6
167.03467	3.4
177.06670	1.7
181.05074	2.5
182.05893	0.7
190.99864	6.4
191.08296	1.9
192.00655	100.0
193.01308	2.4
205.06274	3.2
206.02214	1.7
207.03003	76.3
219.07774	1.8
226.04805	2.2
241.07141	2.0
285.04099	0.7
303.04996	1.5
403.12497	4.1
441.21271	0.5
465.19397	0.6
501.12082	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.2
59.01393	8.1
61.02949	2.9
68.31909	0.5
71.01392	28.9
72.99313	5.2
73.79163	0.5
78.95912	6.9
87.00881	1.2
87.04514	5.1
88.04036	2.6
89.02448	4.0
96.96011	2.5
96.96944	2.7
105.01939	1.1
115.00373	63.6
127.63377	0.5
132.03036	9.6
132.86847	0.7
132.94633	0.6
133.01430	100.0
133.05055	21.1
150.86922	0.5
220.19421	0.6
230.07516	0.5
323.18524	0.5
323.91422	0.6
357.09061	2.4
367.16324	0.6
501.13507	1.0
525.86890	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	86.3
71.01382	17.8
81.82491	15.5
82.95412	32.5
84.95779	13.0
87.76088	11.9
89.02440	23.4
92.11797	26.8
113.02393	14.7
130.94000	16.3
158.37679	16.0
186.25404	15.5
303.16113	100.0
376.56744	15.2
405.62549	17.2
501.18436	26.5
501.32062	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	501.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	90.7
58.06982	1.3
59.01383	18.9
71.01381	6.7
81.03415	1.5
85.02949	1.9
85.13871	1.8
89.02435	6.8
96.12914	1.4
96.96068	1.9
99.04515	27.1
101.02445	17.0
125.02419	11.5
137.06053	8.6
165.05568	100.0
180.07927	88.1
195.10281	74.8
234.25133	1.8
257.59125	1.6
425.30814	2.4
489.32288	20.2
501.23849	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94975	0.5
52.12632	0.5
54.82116	0.6
57.03437	0.7
58.00367	0.5
58.00600	6.3
59.01387	61.4
61.98827	1.0
69.03465	0.7
71.01382	15.2
72.67104	0.6
73.02947	15.3
75.00851	1.0
83.01398	1.4
83.05006	0.8
84.95127	1.3
85.02954	4.2
89.02435	3.9
92.12362	1.4
95.01353	0.7
97.02914	0.8
97.06577	1.3
101.02430	6.3
111.08203	0.7
113.02444	7.6
119.03522	1.0
125.06086	3.1
139.07657	0.8
155.14392	0.7
161.04556	0.8
169.15964	0.7
209.34944	0.6
263.23856	6.8
265.25381	1.5
269.60129	0.7
275.23846	9.4
279.23312	100.0
291.23288	2.9
293.24893	75.5
294.25058	0.8
303.23325	9.4
321.24426	19.2
333.24408	3.0
337.24051	1.9
339.19894	2.6
351.25436	4.2
389.92960	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54274	0.4
57.03435	0.5
58.00599	1.7
59.01384	12.5
61.49174	0.4
62.50418	0.5
65.20701	0.4
65.26876	0.4
65.31643	0.4
67.20924	0.4
67.39185	0.4
71.01380	15.2
73.02948	4.8
75.00871	6.2
79.18288	0.5
84.02145	0.5
85.02940	4.4
87.00856	0.5
89.02424	2.3
95.01387	0.9
101.02437	4.7
113.01707	0.7
113.02445	9.6
116.92884	0.6
139.07582	0.6
150.49591	0.5
161.04590	1.9
182.75568	0.5
183.01242	0.9
195.75748	0.5
195.82784	0.6
229.70352	0.6
261.22260	0.6
263.23923	0.9
275.23825	2.1
279.23303	100.0
280.23618	2.5
289.25446	2.2
293.24875	11.7
303.23318	1.9
305.24887	0.8
321.24393	22.9
333.24475	4.8
337.24130	0.5
339.20151	1.9
351.25296	5.2
355.51398	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00601	0.6
59.01389	8.6
71.01385	16.6
72.72128	0.6
73.02924	1.2
75.00861	1.3
78.12947	0.5
83.01398	0.7
85.02933	0.8
89.02442	2.8
101.02449	1.3
113.02430	3.1
116.92764	0.8
134.98962	0.7
181.86470	0.7
279.23315	100.0
280.23758	2.5
293.24878	3.8
303.23428	1.0
321.24338	9.2
333.24457	1.4
339.20117	1.2
351.25427	2.9
446.37396	0.7
451.54630	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3224
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
56.30368	0.3
59.01387	0.6
78.14403	0.3
87.00881	1.5
92.12384	0.4
92.24750	0.3
116.92852	0.7
176.76598	0.4
363.27011	2.1
396.22403	0.4
423.29117	14.5
424.29977	0.4
439.32217	27.7
457.33246	10.2
483.31363	4.2
501.32288	100.0
502.32791	0.7
515.71686	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3234
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
50.00161	0.1
52.69753	0.1
59.01376	0.2
71.01382	2.6
72.59267	0.1
72.99306	0.8
73.02953	0.5
73.83386	0.1
87.91393	0.1
99.92567	0.2
115.00350	1.1
116.92864	2.4
131.87021	0.1
133.01413	0.2
141.01526	0.1
152.20010	0.1
184.42514	0.1
195.13914	0.1
197.90891	0.1
222.78642	0.1
237.10907	0.1
245.54478	0.1
295.22986	0.2
311.22256	2.2
385.25974	0.6
409.32330	0.1
455.31754	0.7
456.32184	0.2
457.33258	9.4
483.26001	0.4
500.31180	1.2
501.32306	100.0
502.32602	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	501.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89476	0.1
58.97091	0.1
63.96214	0.1
109.06611	0.2
113.22536	0.1
117.65891	0.1
134.01712	0.2
156.68170	0.2
173.69044	0.2
180.68750	0.2
203.09917	0.2
251.36464	0.2
302.63187	0.2
377.24890	0.2
407.29312	0.2
455.32040	0.3
457.33295	24.8
458.33530	0.4
478.86249	0.2
485.90714	0.2
501.32281	100.0
502.32571	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44737	0.8
59.01380	2.4
61.98835	1.6
72.77883	1.0
75.71745	1.0
78.66116	1.0
80.20564	1.2
93.88176	1.3
94.29753	1.1
109.92602	1.1
114.69648	1.0
122.28024	1.0
128.10902	1.1
128.77655	1.0
139.38165	1.0
145.87386	1.1
177.76233	1.1
232.99518	1.1
385.27475	1.7
455.31833	7.7
457.33319	100.0
501.32401	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03390	0.7
55.41685	0.6
59.01383	1.6
61.98815	0.9
62.87919	0.7
67.82066	0.8
83.64494	0.9
91.14278	0.8
96.96004	1.8
170.88489	1.0
172.94295	0.9
173.54149	0.9
214.47331	0.8
215.11574	0.9
355.26291	1.1
439.32431	7.6
441.16190	0.9
501.32333	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	501.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
63.61132	0.6
70.89630	0.7
71.01380	0.8
85.02960	0.8
86.87261	0.8
87.98837	0.7
96.96030	0.9
98.45700	0.7
144.21782	0.8
144.76717	0.9
159.17032	0.7
239.99979	0.8
358.14120	0.8
373.64655	0.9
396.07562	0.8
425.31076	1.0
453.30411	1.8
471.31244	14.2
501.32312	100.0
518.59058	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68398	0.2
54.12836	0.1
61.98837	100.0
73.68247	0.2
74.82520	0.2
78.95893	0.2
92.11705	1.0
130.04387	0.2
411.45993	0.2
416.99985	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94038	0.3
57.03463	4.5
59.01385	4.1
59.86526	0.3
60.12833	0.2
60.21694	0.2
64.99269	0.2
66.18241	0.2
71.01382	21.3
72.99313	4.5
73.02930	0.4
78.95898	0.4
87.00874	0.7
88.04035	1.2
89.02442	5.5
96.96928	0.3
99.04510	8.5
101.02444	7.6
107.06054	0.3
113.02465	0.6
115.00367	57.8
117.05580	0.6
132.03040	0.7
133.01427	100.0
143.03502	2.0
161.04549	21.0
179.05672	0.5
265.09238	0.5
309.31061	0.3
323.13458	0.3
341.10788	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68584	1.3
57.03484	1.6
59.01386	74.4
61.98832	7.9
69.03451	7.6
70.37421	1.5
71.01383	67.8
73.02945	10.3
74.32704	1.5
75.00859	2.0
78.24812	1.3
78.95894	1.5
81.03455	3.5
82.95431	2.2
83.01389	3.1
85.02964	6.8
85.29818	1.4
87.00872	2.4
88.98811	3.1
89.02444	86.1
95.01400	3.6
96.96011	27.5
97.02959	9.2
99.00883	14.7
99.02615	1.6
101.02456	13.3
111.00860	1.7
113.02461	7.5
115.04006	9.8
116.92838	7.0
125.02438	33.9
130.08737	1.8
131.03534	9.2
134.03735	100.0
145.80838	1.6
149.04579	11.5
149.06090	43.9
161.04573	1.6
191.05688	7.9
233.06654	23.9
236.21399	1.7
293.08823	74.6
365.30957	1.7
429.05490	1.7
503.26447	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	503.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.6
55.10955	0.7
57.03449	3.5
57.96125	0.7
58.00599	1.4
59.01385	74.4
61.98837	1.2
63.07314	0.7
64.34508	0.8
70.21338	1.0
71.01381	38.9
72.99311	3.2
73.02939	5.4
75.00915	0.9
81.11147	0.8
83.01377	4.1
83.05038	1.5
85.02954	12.3
87.00883	1.0
88.98855	0.9
89.02442	35.9
95.01387	5.0
96.96015	5.4
99.00893	1.2
101.02446	26.5
106.18629	0.9
113.02460	19.3
114.93446	1.2
119.03510	10.9
131.03520	1.0
135.04562	1.4
139.07629	1.3
161.04604	4.6
171.11780	1.5
179.05637	1.5
189.12924	1.8
198.02731	0.9
237.14767	1.1
263.12756	1.2
399.20264	4.3
443.19278	100.0
465.21744	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82088	0.4
55.01865	1.0
55.33868	0.3
57.03452	5.8
59.01107	0.5
59.01381	10.6
59.07202	0.4
60.66190	0.4
61.98586	0.5
61.98834	7.2
65.03957	0.6
68.95678	0.4
69.03459	0.6
71.01376	7.9
71.05020	0.7
73.02934	2.1
75.00861	0.5
82.95384	0.5
83.01385	4.2
83.05019	6.1
85.02934	1.9
87.00862	7.8
89.02430	2.0
93.03435	0.6
93.07076	0.6
95.05001	1.1
96.95999	12.0
96.96936	0.5
97.02951	0.8
97.06583	3.4
98.95595	1.0
99.04497	0.8
101.02438	10.8
107.05029	7.1
109.02922	3.0
109.06573	2.6
111.04527	3.5
113.02434	2.6
113.06042	0.5
115.28256	0.4
119.03498	0.5
119.08681	0.4
121.02934	0.6
121.06595	3.8
123.04494	2.2
123.08151	12.6
124.05255	0.7
125.06068	11.8
130.08720	1.1
135.04497	5.5
135.08147	0.8
137.02452	0.8
137.06076	1.0
137.09711	2.2
138.06929	0.6
139.07655	2.5
145.10229	2.1
147.08191	0.6
149.09676	0.7
151.07625	2.6
153.05533	3.5
153.09201	2.5
162.03267	0.6
164.04823	0.5
165.05565	1.8
169.08676	3.1
169.10202	1.9
170.60246	0.5
171.11787	15.7
171.13182	0.8
175.11134	0.5
180.04266	0.6
187.11275	1.9
189.12820	6.0
191.10828	0.8
192.00645	1.0
193.00882	0.5
195.06618	0.9
198.36365	0.5
201.05347	0.5
201.12872	6.7
207.02922	0.9
207.13925	3.0
209.03319	0.8
213.07629	0.9
213.13007	0.5
219.13945	3.1
231.13966	1.7
234.71765	0.5
237.14969	20.2
261.14917	2.2
267.68384	0.4
279.15903	0.6
281.13959	100.0
295.15482	1.9
300.45746	0.5
305.13983	16.7
323.15051	13.2
335.15054	1.0
353.16211	3.6
383.17194	2.1
443.15659	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66219	0.3
54.08451	0.3
54.82660	0.3
55.01859	0.6
57.03226	0.3
57.03453	6.0
58.00605	0.3
59.01384	23.7
59.65866	0.3
62.96178	0.3
65.03972	0.6
65.79894	0.3
67.74639	0.3
71.01106	0.3
71.01385	5.1
71.51565	0.3
73.02927	0.8
78.95899	2.4
81.03405	0.4
82.95419	1.5
83.01378	2.1
83.05024	6.5
85.02943	3.7
87.00864	8.1
89.02428	1.5
93.03482	0.6
93.07136	0.4
95.01391	0.8
95.05007	2.4
96.96000	8.6
96.96940	1.5
97.02945	0.6
97.06577	2.7
101.02463	2.9
107.05028	6.1
109.02959	2.1
109.06577	2.0
111.04494	2.0
111.08170	2.5
113.02442	6.4
119.03476	0.9
119.08751	0.5
121.06580	1.9
122.03784	0.4
123.04490	0.7
123.08137	13.6
124.05268	1.7
125.06073	9.4
125.09705	0.5
129.07034	0.4
129.78117	0.4
130.06781	0.3
133.06573	0.6
135.04535	3.7
135.08206	0.7
137.06046	1.8
137.09723	2.0
138.06845	0.5
139.07649	2.4
145.10223	2.5
147.08194	0.5
151.07635	2.3
153.05559	2.4
153.09232	1.8
161.04543	1.9
161.09741	0.7
169.08681	1.5
169.10153	1.4
171.11781	15.4
176.16371	0.4
185.09686	0.4
187.11189	0.8
189.12860	7.2
189.51445	0.4
191.10753	0.5
201.12856	6.1
207.13905	2.6
213.12903	0.4
219.13832	3.2
237.14960	20.9
261.14963	2.1
279.15988	0.5
281.13953	100.0
295.15512	2.4
301.77005	0.4
305.13983	12.6
323.15091	9.9
335.15173	0.7
344.46216	0.4
353.16147	0.8
528.81128	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50130	0.4
55.01876	0.3
57.03456	6.1
57.97036	0.3
59.01386	22.8
65.03960	1.0
65.73579	0.4
67.61608	0.3
71.01378	4.9
71.05000	0.4
73.02938	0.5
78.95899	0.9
81.03477	0.5
83.01375	1.7
83.05025	5.2
85.02959	3.3
87.00872	6.7
89.02445	1.6
93.03449	0.9
94.68799	0.4
95.01363	1.7
95.05007	1.9
96.96008	4.3
97.02958	0.6
97.06554	2.2
101.02425	2.5
107.05029	4.5
109.02934	1.6
109.06585	0.9
111.04541	2.7
111.05170	0.4
111.08141	1.8
113.02446	6.0
113.06148	0.5
119.03486	0.7
119.08649	0.9
121.06569	3.1
122.03694	0.5
123.04515	0.6
123.08154	14.8
124.05276	0.9
125.06062	7.5
129.07129	0.6
129.22557	0.4
135.04518	4.6
135.08165	0.6
137.06091	0.8
137.09682	1.7
138.06831	0.8
139.07645	2.4
145.10207	2.0
149.09697	0.6
151.07704	2.8
153.05582	2.2
153.09180	1.7
161.04521	0.9
163.11339	0.6
165.05534	0.5
169.08812	1.0
169.10249	2.2
171.11800	16.1
179.03545	0.9
187.11339	0.5
189.12830	6.9
201.12865	7.0
206.02863	0.5
207.13913	3.8
213.12900	0.7
219.13878	3.6
237.14978	20.9
261.14944	2.1
275.13010	0.5
279.16153	0.8
281.13956	100.0
295.15552	2.2
305.14023	11.8
323.15088	10.6
335.15118	0.5
335.21970	0.4
341.08701	0.5
353.16162	0.5
443.37622	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	2.0
59.01108	2.0
59.01390	51.4
61.98830	2.6
64.53040	1.0
71.01388	18.9
72.99314	1.4
73.02930	5.5
76.37292	1.2
81.09101	1.1
83.01340	1.1
85.02954	2.4
89.02465	1.7
92.08582	1.1
101.02452	4.3
113.02448	7.3
115.49983	1.0
131.40677	1.2
187.67749	1.2
265.25345	7.2
274.50891	1.2
277.25156	1.4
281.24878	84.5
293.24927	2.7
295.26443	100.0
300.79880	1.3
305.24817	6.1
323.25916	17.0
339.25598	1.5
353.26898	1.6
354.95236	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
57.03444	0.9
57.45276	0.6
57.73269	0.7
58.00596	1.3
59.01389	21.7
71.01385	16.9
73.02943	4.6
75.00868	4.4
82.29429	0.7
85.02945	3.9
89.02437	1.7
101.02454	5.2
113.02444	9.7
119.03514	0.8
127.80666	0.8
265.25436	6.1
277.25189	1.4
281.24866	100.0
291.27042	1.8
293.24881	2.9
295.26440	64.4
296.70831	0.8
305.24826	4.1
307.26489	1.2
311.27460	0.7
323.25964	22.4
335.25992	3.8
339.25485	1.5
353.26810	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	503.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94904	0.7
59.01383	12.9
61.58647	0.8
71.01378	14.7
73.18171	0.9
75.00866	4.6
84.56615	0.9
85.02934	2.1
89.02423	1.1
101.02444	1.3
113.02440	5.9
281.24884	100.0
291.26871	1.6
295.26370	9.5
305.24823	2.3
320.99677	1.1
323.25955	17.7
335.25870	4.1
353.26962	3.6
443.31665	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	503.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
66.11237	0.1
69.81197	0.1
71.01366	0.2
71.23335	0.1
93.49495	0.2
99.04491	0.1
100.18543	0.1
120.69060	0.2
130.92346	0.2
179.75444	0.2
251.28763	0.1
377.24597	0.2
379.26251	0.2
380.22806	0.2
393.28067	0.7
395.29398	0.2
405.27786	0.5
425.30789	0.9
439.04898	0.2
503.33844	100.0
504.34171	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52615	1.1
59.01398	5.2
67.51852	1.4
69.23848	1.2
97.40282	1.3
148.78601	1.4
386.04556	1.7
413.87729	1.4
418.28717	1.4
424.52948	1.5
429.06030	1.7
459.35016	2.6
503.10098	5.1
503.34048	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	503.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82142	0.1
56.42008	0.1
57.03439	0.2
58.00595	0.2
59.01370	0.2
61.67883	0.1
61.98820	0.2
97.90736	0.1
259.12793	0.1
318.84393	0.2
341.14761	0.2
341.25168	0.2
375.27206	0.2
379.30133	0.2
391.26489	0.2
398.25201	0.1
405.27963	0.9
407.29550	0.7
409.31180	0.2
416.94540	0.2
425.30630	0.6
455.32013	0.2
503.33868	100.0
504.34210	0.8
526.55316	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41454	0.3
52.83575	0.4
57.22636	0.3
59.01384	0.7
59.64888	0.3
61.98844	100.0
64.84691	0.4
78.95914	1.9
79.14651	0.4
103.02040	0.5
107.10213	0.5
136.76303	0.4
152.99649	2.6
199.17163	0.6
205.86064	0.4
247.13593	0.5
306.19870	0.4
327.25543	0.4
403.81247	0.5
452.51730	0.5
508.07352	0.5
530.78931	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45329	0.3
52.86616	0.4
55.00869	0.3
59.01385	1.7
61.80336	0.3
61.98819	0.4
78.95915	3.5
87.81245	0.4
96.97034	0.5
113.93523	0.4
114.38422	0.5
121.02950	100.0
133.62959	0.4
152.99588	6.3
180.68094	0.5
181.06577	5.7
197.06052	4.1
207.04590	0.9
225.05640	2.7
231.12035	0.4
251.07161	0.4
257.09750	1.6
277.21738	3.1
311.22382	2.1
313.07211	4.6
357.05942	0.5
383.07767	0.8
390.73315	0.4
417.09906	7.9
431.22006	0.6
505.11539	7.6
505.26068	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	505.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56765	0.2
53.19330	0.2
59.01388	5.1
60.99313	17.2
61.98853	0.2
71.01374	2.2
72.99282	0.3
73.02944	1.6
75.00876	0.5
78.95888	0.3
82.66618	0.3
85.02970	0.6
87.00865	1.6
88.00404	0.5
88.04031	1.3
88.98803	100.0
89.02439	36.3
89.04334	0.2
96.96007	4.5
96.96976	0.5
101.02454	1.5
103.00355	0.3
103.03991	0.6
113.02466	0.5
119.03544	0.3
119.05023	1.0
127.05093	0.3
131.03506	0.5
131.07175	0.3
137.42261	0.3
143.03497	0.5
159.06618	0.5
168.99734	0.3
179.07230	0.4
193.04872	0.3
205.07217	0.5
282.14240	0.2
312.53955	0.3
393.36057	0.3
445.17136	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59137	0.2
57.32661	0.3
59.01389	100.0
60.56355	0.2
61.42826	0.2
61.98844	0.5
63.88221	0.3
64.32672	0.3
71.01385	0.7
73.02965	0.4
73.62357	0.2
77.34465	0.3
89.02451	0.4
101.02436	0.3
105.03439	1.1
112.50043	0.3
116.92888	0.3
151.04002	3.6
161.02454	21.5
165.47833	0.3
176.04788	13.0
179.03508	34.4
191.07129	6.1
194.05858	43.5
209.08214	92.5
236.98743	0.3
242.41837	0.3
355.64780	0.3
446.09805	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93161	0.3
55.01905	1.4
57.03455	33.0
58.00608	0.7
59.01385	25.9
61.24415	0.3
69.03481	0.4
71.01380	18.6
71.05041	0.7
71.09481	0.3
72.99307	0.7
73.02943	3.4
74.14069	0.4
81.03470	0.3
83.01383	3.9
85.02951	6.3
87.00869	2.8
89.02432	4.2
92.11798	0.5
92.65783	0.3
95.01417	1.4
97.02985	0.4
98.29127	0.3
99.00924	1.5
99.04498	2.6
101.02434	12.1
101.03064	0.5
106.12506	0.3
111.00887	0.6
113.02452	3.6
119.03521	0.7
125.02479	1.7
137.88904	0.3
153.12880	2.0
181.12376	3.0
199.13419	19.7
241.14427	0.5
288.72168	0.4
343.17670	10.9
361.18726	100.0
362.19037	0.5
403.19769	38.0
443.22974	8.8
488.13251	0.4
505.22910	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	505.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09079	0.2
59.01389	2.6
59.88988	0.3
61.98809	0.3
70.62782	0.3
71.01390	0.4
78.95902	12.4
85.77981	0.3
91.57420	0.3
92.11778	0.5
120.72760	0.3
148.26994	0.3
152.99590	16.1
171.00650	1.7
210.49498	0.3
227.03320	1.9
238.28030	0.3
245.04311	1.7
277.21741	100.0
278.22119	0.6
505.25790	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	5.3
78.95909	45.4
79.37025	1.0
96.96958	3.9
106.61649	1.0
120.12284	1.0
152.98329	2.1
152.99585	62.9
157.89052	0.9
161.31161	1.0
171.00606	3.6
227.03259	2.3
265.14737	1.1
277.21722	100.0
336.12216	1.1
431.22131	4.4
505.25742	57.4
506.25446	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.8
59.01384	12.7
59.90892	1.3
61.98827	3.6
63.19936	1.4
71.01382	14.6
72.28300	1.4
72.99303	2.9
75.00871	22.2
76.56824	1.6
78.95905	3.0
83.01365	2.8
85.02934	11.4
85.89952	1.5
87.00864	1.9
89.02427	3.1
91.04008	2.8
95.01387	7.3
97.52974	1.8
99.00870	24.6
103.00390	1.5
111.00896	7.8
113.02451	20.7
117.30677	1.4
138.56863	1.5
151.80029	1.4
156.64357	1.6
178.99866	1.6
205.07211	1.6
247.20836	1.5
249.06180	3.0
255.04291	1.5
255.23322	100.0
256.23807	2.0
267.07208	8.4
325.09454	2.0
398.50818	1.5
423.25293	3.4
487.47589	1.6
505.30243	53.8
505.37646	1.8
506.30496	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	506.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01026	0.1
59.01389	2.7
60.24393	0.1
61.98837	100.0
63.89432	0.1
67.26763	0.1
68.26763	0.1
71.01038	0.2
71.01371	1.4
73.02602	0.1
73.02940	1.3
81.59429	0.1
85.02965	0.7
87.00895	0.3
88.98809	0.2
89.02458	0.9
96.96020	1.3
96.96957	0.2
101.02438	1.0
102.02800	0.2
103.04007	0.2
113.02481	0.2
115.03978	0.3
119.03580	0.2
119.05054	0.9
120.05383	0.2
128.03529	0.2
130.08754	0.3
131.03514	0.2
143.03568	0.3
155.98930	0.8
166.48401	0.1
171.01366	0.2
172.09874	0.3
177.01941	1.1
193.24550	0.2
205.07312	0.7
214.32277	0.2
229.38737	0.2
427.19598	0.2
445.17072	1.5
446.17529	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	506.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.0
57.75891	0.7
58.00616	0.7
59.01390	44.0
64.60188	0.6
71.01383	26.1
72.00913	19.0
78.95888	6.0
81.33902	0.7
85.02945	3.8
87.00892	1.2
89.02439	49.2
90.82187	0.7
91.05515	0.7
95.01358	1.4
96.96002	13.7
96.96937	11.8
101.02429	17.6
113.02445	13.5
119.03481	15.8
130.08742	3.8
131.03506	1.6
143.03502	1.6
147.04521	61.4
149.04451	0.9
149.77736	0.8
161.04568	4.9
162.53520	0.9
164.07172	100.0
179.05611	17.9
198.75264	0.7
204.08807	0.8
204.10692	0.8
255.31543	0.8
258.14487	6.8
259.14853	1.3
293.57965	0.7
317.36304	0.7
341.10895	82.4
506.94321	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38874	0.1
52.58593	0.1
59.01393	0.5
61.98837	100.0
63.86167	0.1
68.99592	0.1
71.01392	0.1
96.96013	0.9
102.05592	0.2
114.58942	0.1
121.03024	0.2
128.03532	0.2
129.74734	0.1
134.11020	0.1
137.02509	0.2
146.04669	0.8
149.02443	0.2
161.02489	0.3
163.00398	0.2
165.01939	1.0
172.12312	0.1
177.01987	0.6
197.04439	0.2
205.01476	0.1
236.73589	0.1
281.14111	0.3
282.14401	0.3
283.14581	0.2
327.05057	1.2
335.50552	0.1
359.07977	0.2
378.28479	0.1
458.42001	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	506.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60695	0.2
59.01393	1.2
59.72304	0.2
61.53303	0.2
61.98844	100.0
62.95982	0.2
65.11318	0.2
68.99586	0.3
71.01385	0.2
91.82551	0.2
96.96010	2.1
102.05656	0.3
112.98455	0.3
127.55872	0.2
128.03546	0.4
137.02486	0.3
146.04689	0.4
149.02501	0.3
165.02026	1.1
177.01915	0.5
239.51120	0.2
282.02124	0.2
282.14478	0.4
283.14633	0.4
327.05331	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33223	0.1
59.01375	0.8
59.31557	0.1
61.98833	0.7
66.73061	0.1
71.01382	0.6
77.05375	0.1
81.03440	0.2
85.43104	0.1
89.02439	0.3
89.03966	1.3
95.05016	0.3
96.95994	0.3
101.71715	0.1
102.05573	0.3
104.02684	0.2
105.03463	2.9
121.02945	0.6
128.03528	0.2
133.02951	8.2
137.02396	0.3
138.05626	0.2
138.97096	0.1
139.04016	0.2
146.04590	0.7
148.01640	0.5
149.02478	1.1
161.02432	0.2
165.01888	1.0
166.02208	0.2
176.01170	1.7
177.01939	100.0
178.02266	0.7
197.04652	0.2
327.05197	0.3
328.05505	0.6
471.11499	27.9
472.11743	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	3.8
58.00304	0.7
58.00597	2.4
59.01387	98.1
60.19477	0.7
61.98541	1.6
61.98837	36.1
69.03454	10.0
71.01384	79.1
71.25785	0.8
72.99296	2.3
73.02951	17.6
75.00877	3.9
76.67727	1.1
81.03452	4.5
83.01400	7.6
85.02941	11.1
87.00864	2.1
89.02441	100.0
93.36829	1.0
95.01389	4.6
96.96000	4.9
97.02950	19.5
99.00874	17.9
99.04518	4.5
101.02443	16.5
111.00845	4.2
113.02432	8.5
115.04016	11.8
119.03513	1.1
120.80340	0.8
121.02918	7.1
123.00880	26.7
123.01746	1.0
125.02442	48.1
127.04018	1.4
128.03575	1.5
130.08731	14.7
131.03473	8.4
131.09052	1.4
137.02472	1.5
138.03235	36.2
143.03505	4.2
146.04610	1.7
149.04530	11.7
153.05576	6.6
161.04558	1.3
165.01947	7.9
166.02237	1.4
172.09779	10.0
173.10129	1.9
175.06168	1.1
177.01938	28.7
178.02213	1.5
191.05644	8.9
196.03850	1.9
211.06224	2.2
217.56982	0.9
233.06686	30.0
238.92442	1.0
289.07394	1.2
293.08826	87.1
328.05402	4.3
447.14978	12.3
471.11343	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	507.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.1
57.03446	2.0
58.00584	0.7
59.01387	18.5
60.67149	0.3
69.03439	1.3
71.01382	16.1
72.99271	1.2
73.02943	5.9
74.79375	0.3
75.00869	0.4
81.03445	0.4
83.01401	4.5
85.02941	6.0
87.00867	2.0
87.04513	0.4
88.28353	0.3
89.02440	2.6
94.57186	0.3
95.01395	0.5
97.02938	0.6
99.00885	2.0
101.02425	8.9
103.04005	0.8
103.87176	0.3
105.81707	0.3
111.00881	0.4
113.02469	2.9
115.03979	0.6
119.03442	0.5
124.01656	0.8
125.02433	1.5
127.03989	0.3
143.03447	0.8
148.88951	0.3
153.12836	2.2
199.13402	20.3
241.14491	0.4
261.93912	0.3
284.98883	0.4
343.17612	4.7
361.18701	24.9
489.23560	2.1
502.37891	0.4
507.24506	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	507.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.4
57.03451	5.3
58.72977	2.2
59.01389	37.6
60.85646	2.1
61.98831	5.1
71.01392	60.0
71.59263	2.3
73.02939	23.8
75.00898	2.8
83.01423	3.8
85.02971	31.3
85.08830	2.4
89.02442	21.0
95.01359	3.2
96.64212	2.5
97.02953	3.7
99.00886	13.8
101.02448	38.1
113.02457	22.3
121.02927	3.1
129.46953	2.3
161.04593	14.2
246.75909	2.6
270.64459	2.6
285.14944	3.1
315.18222	15.2
363.20132	9.3
376.75647	2.8
405.21158	3.6
447.22363	100.0
507.61499	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	507.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
57.03454	1.7
58.00584	1.6
59.01386	88.5
61.98806	0.8
64.64479	0.7
68.40947	0.7
69.03453	0.8
71.01382	56.6
72.99300	4.3
73.02952	14.7
75.00823	1.1
83.01379	4.7
85.02952	10.8
87.00846	2.0
89.02438	71.6
95.01373	3.6
97.02917	1.5
99.00877	19.9
101.02434	35.0
103.36840	0.8
110.17164	1.0
113.02444	15.6
115.04008	1.8
119.03496	17.1
125.02441	3.2
131.03502	7.5
143.03484	1.5
149.04546	17.3
157.49988	0.9
161.04538	3.4
165.02017	1.1
179.05629	5.3
191.05623	5.7
251.07741	1.7
315.18024	1.9
331.32919	1.0
345.17123	1.7
447.22400	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	507.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.8
57.03438	0.9
58.00592	1.8
59.01389	95.9
61.98833	1.0
69.03447	1.6
71.01385	60.1
72.43758	0.7
72.99307	4.5
73.02949	22.4
75.00884	1.5
76.69269	0.8
83.01369	1.8
85.02956	10.4
87.00869	1.1
89.02441	96.5
91.86087	0.7
95.01402	1.7
97.02930	1.5
99.00880	30.2
99.04549	0.8
101.01768	1.4
101.02435	40.7
113.02448	16.4
115.04063	0.9
116.92870	1.7
119.03498	14.4
121.03011	0.9
125.02438	2.9
131.03496	10.2
137.53954	0.8
143.03519	1.5
147.69914	0.7
149.04553	35.9
161.04608	3.8
165.01932	1.1
179.05618	3.4
191.05658	10.4
221.06615	1.6
251.07741	5.2
275.07709	1.4
293.08691	1.1
315.18079	3.3
447.22440	100.0
507.32343	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	2.3
57.03473	2.5
58.00614	0.6
59.01396	19.7
69.03445	1.4
71.01392	15.7
71.05007	1.2
72.99313	0.6
73.02586	0.4
73.02953	6.3
73.74168	0.3
76.57653	0.3
76.82201	0.2
83.01395	4.6
85.02468	0.4
85.02956	7.3
86.00073	0.5
87.00873	4.0
87.04510	0.6
89.02446	3.0
95.01401	0.5
97.02946	1.0
99.00874	1.1
99.04565	0.3
101.02448	8.7
103.03997	0.4
113.02448	3.7
115.03972	1.2
119.03510	0.6
124.01657	0.5
125.02421	1.5
127.03954	0.4
131.03450	0.4
143.03491	1.5
153.12849	2.5
180.85176	0.3
181.12375	2.1
199.13423	21.4
205.07198	1.3
211.13371	0.4
241.14697	0.3
277.03448	0.3
343.17719	3.9
361.18738	23.8
489.23584	1.7
507.24500	100.0
508.24619	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82965	0.2
55.01895	2.1
57.03456	2.9
58.00596	0.6
58.87155	0.2
59.01389	19.2
59.01686	0.7
69.03448	1.1
71.01389	16.8
71.05010	0.4
72.99300	1.3
73.02949	6.0
81.03445	0.5
83.00999	0.2
83.01397	3.9
85.02962	6.7
86.00087	0.5
87.00878	3.8
87.04500	0.4
89.02454	3.3
95.01363	0.5
97.02940	0.5
99.00847	1.3
101.02440	8.8
103.04005	1.0
111.00871	0.3
113.02451	3.0
115.04009	1.0
119.03441	0.5
119.55441	0.3
124.01587	0.4
125.02433	1.5
131.03461	1.4
142.02736	0.3
143.03496	1.4
153.12868	2.1
181.12373	1.6
199.13416	16.9
205.07161	0.6
211.13403	0.4
241.14471	0.4
281.28067	0.3
343.17664	3.7
352.37286	0.3
361.18707	17.8
382.54089	0.3
489.23352	2.1
507.24475	100.0
508.25143	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53204	0.2
54.30629	0.2
58.98352	0.2
59.01397	0.2
78.95905	11.1
83.87714	0.2
92.12322	0.3
92.65781	0.3
96.96960	1.1
152.98326	0.5
152.99594	15.5
171.00629	0.6
181.84044	0.3
196.89511	0.3
227.03247	1.7
245.04347	1.2
279.23315	100.0
280.23621	1.1
507.27356	30.2
508.27939	0.4
532.21930	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39470	0.1
59.01389	0.7
61.01834	0.1
61.98845	100.0
62.96822	0.1
64.42052	0.1
71.01388	0.7
73.02969	0.1
88.98914	0.1
89.02460	0.4
91.02885	0.1
96.96011	0.2
116.07201	0.1
116.92894	0.1
120.01248	1.0
121.02999	0.1
125.02478	0.3
133.18665	0.1
151.04054	0.2
152.04399	0.1
235.07143	0.2
275.90424	0.1
293.08853	0.2
295.09497	0.1
394.30121	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	508.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85528	0.1
52.05355	0.1
59.01387	2.2
61.01816	0.1
61.98837	100.0
63.48135	0.1
71.01385	0.2
73.02950	0.2
85.02948	0.2
89.02457	0.4
95.74506	0.1
101.02481	0.2
116.07224	0.2
121.03033	0.1
177.05118	0.2
209.08324	0.7
210.08589	0.3
256.23627	0.1
471.06348	0.2
502.88977	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02984	8.2
59.01368	4.4
61.98824	6.3
71.01380	1.7
71.26302	1.1
83.37890	1.0
84.95152	1.7
89.02441	1.3
92.05054	10.4
94.03693	1.0
96.96003	13.1
96.96959	1.0
102.05595	6.3
114.38312	1.1
120.82503	0.9
121.02946	1.5
125.02486	1.2
128.03526	13.2
130.68607	1.1
131.87791	1.1
132.00279	1.0
135.05649	1.4
139.05162	1.3
146.04605	4.9
147.05659	13.2
153.92252	1.0
154.14575	1.1
168.85336	1.1
173.07170	4.8
176.09560	1.2
177.10339	5.3
203.08318	2.1
204.11427	5.3
220.08386	1.3
232.10904	9.5
233.09171	1.5
241.57582	1.0
247.11996	1.8
248.10439	4.5
258.12347	1.4
276.09924	33.7
289.16669	1.5
302.11484	2.2
318.14618	1.8
333.15515	1.1
361.15262	4.0
377.14676	13.3
387.13266	1.5
405.14227	100.0
406.14517	1.1
449.13055	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	509.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65791	6.2
55.55393	8.6
57.03465	6.6
59.01381	77.9
61.98820	10.2
68.91502	7.3
71.01386	44.0
78.95946	7.8
89.02445	60.7
93.89496	6.6
96.96011	37.9
99.00878	10.0
101.02457	9.0
101.48228	7.7
107.47726	7.9
115.03941	10.7
125.02444	18.2
130.08743	45.0
131.09091	16.6
146.03725	41.0
164.04822	30.4
172.09811	33.0
173.10220	11.6
179.07130	15.3
219.72803	8.7
233.06671	8.2
240.41116	8.0
293.08789	100.0
319.09747	8.8
449.19910	11.4
465.86185	9.1
509.14297	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33626	0.3
57.03452	1.7
59.01392	27.2
65.46395	0.3
71.01387	11.0
72.99330	0.5
73.02943	0.4
78.95892	0.4
83.01384	0.5
85.02462	0.7
85.02953	14.1
87.00866	1.3
89.02444	15.5
95.01396	0.8
97.09073	0.3
101.02435	9.8
103.04004	24.1
105.83273	0.4
108.02160	1.9
113.02445	5.1
115.00331	0.4
119.03500	7.0
123.04536	0.6
131.03505	0.5
133.01439	0.6
134.04727	1.7
135.05052	0.5
135.92612	0.3
143.03520	0.4
145.05016	0.8
149.04556	0.5
152.01132	0.8
161.04541	0.7
165.05554	0.7
167.03484	3.8
179.05603	0.8
206.42200	0.3
265.09296	100.0
266.09656	1.9
279.50766	0.4
329.09024	0.5
513.28412	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.3
57.03471	0.4
59.01383	4.8
63.17767	0.3
68.84890	0.3
69.03471	0.3
71.01392	3.6
73.02958	1.4
75.00863	0.5
78.43311	0.3
80.02707	0.5
81.03445	0.5
83.01380	0.7
83.05027	0.8
85.02957	2.1
87.00880	0.3
87.04501	0.4
95.01384	0.3
96.96035	0.4
97.02986	0.9
99.04485	0.4
101.02433	1.7
108.02171	44.4
109.02979	0.5
113.02470	1.1
113.06095	0.4
122.03729	1.2
123.04514	19.8
125.02430	0.5
130.87741	0.3
133.10283	0.5
135.08173	1.8
141.05569	0.3
149.09698	1.6
151.11212	0.3
152.01154	100.0
153.01898	0.5
153.09209	11.1
153.10437	0.4
159.08165	0.5
161.06065	1.6
167.03493	94.5
175.11453	0.4
177.09174	5.6
179.07091	0.5
193.08693	1.7
195.10333	0.5
197.08197	3.4
201.14987	4.6
207.10258	0.6
219.10265	0.5
221.08235	4.8
239.09273	3.5
281.10385	2.9
341.12415	5.1
345.19250	0.6
363.20416	3.0
509.16391	6.6
509.25674	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	509.186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.4
55.04066	0.3
59.01386	100.0
61.98830	0.5
64.14348	0.3
64.91142	0.4
69.03469	0.6
71.01381	3.3
73.02956	1.4
85.02951	1.3
89.02436	1.4
96.96020	0.6
97.02953	0.8
99.00883	1.5
101.02447	2.3
102.98895	0.4
105.03456	0.6
113.00957	1.7
117.00462	2.1
119.28322	0.3
125.00958	0.7
133.02972	1.6
141.00566	1.8
141.01698	42.5
141.05635	0.5
141.06683	0.7
153.00404	0.4
155.02007	2.6
167.02103	0.7
169.00046	0.5
171.94719	0.7
177.01921	20.3
178.02364	1.4
179.02490	0.4
183.01549	2.3
235.11833	2.6
275.09933	0.7
306.56470	0.3
317.10962	12.0
367.16156	8.1
385.61789	0.4
449.15189	14.3
449.21054	0.5
455.89865	0.4
471.11346	6.4
473.12238	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17827	0.4
55.01871	2.5
55.60723	0.5
57.03450	1.2
59.01389	63.7
61.98827	1.1
62.08022	0.5
71.01036	0.8
71.01392	13.8
72.99302	0.9
73.02953	4.5
83.01379	2.5
83.05037	3.0
85.02950	7.9
87.00865	0.8
89.02448	2.5
89.58857	0.5
95.01390	1.2
96.41852	0.4
97.06599	3.7
99.00860	1.2
101.02445	13.6
107.49954	0.6
113.02454	5.2
118.77287	0.5
156.74763	0.5
160.65114	0.6
161.04538	2.4
173.09732	2.6
174.52068	0.5
179.03502	0.9
194.05853	1.3
199.11215	0.6
229.12320	3.7
241.12462	0.8
255.13809	1.1
257.15503	100.0
287.16559	68.1
326.14194	0.6
377.21695	0.9
449.21863	71.2
508.14682	0.6
509.25592	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	509.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83077	0.4
55.01871	1.7
57.03456	0.5
59.01392	21.8
61.98806	0.5
63.22463	0.4
65.90666	0.4
69.03450	0.5
71.01385	15.0
72.07915	0.4
72.99302	1.7
73.02951	4.9
75.00854	0.5
83.01384	4.2
85.02950	6.5
86.00057	0.7
87.00861	2.9
89.02439	3.4
94.43525	0.4
94.69840	0.4
95.01386	0.7
96.14277	0.4
96.95993	0.8
97.02953	0.5
99.00885	0.8
101.02443	7.6
103.04036	0.4
110.56558	0.4
113.02415	3.2
115.04005	0.6
119.03467	0.8
125.02408	1.0
127.69045	0.4
129.95024	0.4
131.03522	0.7
143.03387	0.8
152.01102	0.5
155.14464	0.4
183.13873	2.7
201.14970	37.4
215.16579	0.6
215.65459	0.4
240.20683	0.4
257.15402	2.8
270.24399	0.4
282.74130	0.5
285.18481	0.8
287.13358	0.5
287.16574	2.2
317.07813	0.4
319.55646	0.4
343.30130	0.5
345.19159	2.4
363.20285	26.3
466.53925	0.5
491.25385	0.5
509.25970	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	509.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
65.77371	0.2
72.61819	0.2
78.95902	11.6
93.74110	0.2
96.96968	0.9
112.42658	0.2
124.16240	0.3
152.99605	16.1
171.00652	1.1
180.90022	0.5
196.89494	7.4
201.61867	0.3
227.03314	1.4
245.04369	1.6
255.23357	1.1
279.31274	0.3
281.24884	100.0
282.25284	1.5
349.08380	0.3
452.28305	0.3
509.16351	0.9
509.28864	29.7
510.29526	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	4.4
61.98837	100.0
71.01388	2.3
72.01730	0.2
85.37131	0.2
88.04024	0.2
89.02448	2.2
90.26534	0.2
96.96021	0.3
101.02438	1.5
113.02443	0.3
119.03535	0.4
120.01211	1.8
123.05660	1.5
130.08728	2.6
137.02443	0.4
153.51549	0.2
157.07715	0.2
161.59944	0.2
167.03548	0.3
168.48126	0.2
172.09804	2.3
177.02016	0.3
178.00755	0.2
179.05678	0.3
203.08476	0.3
278.56152	0.2
288.13324	0.2
392.78345	0.2
432.18219	0.3
449.78342	0.2
450.18945	5.2
450.25073	0.2
531.22894	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	13.3
59.01374	7.3
61.98823	10.3
64.27374	1.0
70.02969	1.3
70.75684	1.0
71.01376	2.5
72.00908	1.8
74.02473	26.4
75.00846	2.0
82.02966	1.8
85.02973	1.1
86.02470	12.7
86.99086	2.6
87.05637	8.0
87.56952	1.1
89.02457	1.7
90.00183	1.5
94.93752	1.1
96.95967	1.9
97.04066	2.2
98.99082	19.9
99.05637	33.0
100.00401	1.8
101.07245	1.4
102.05616	5.1
107.02544	1.1
109.04069	2.6
109.07668	1.5
111.05631	1.7
112.04047	4.8
113.03583	1.6
116.01768	2.0
121.06555	4.6
123.05627	2.3
125.03562	2.0
126.37698	1.0
127.05101	2.9
128.03528	68.0
129.99663	1.3
131.04636	1.7
135.05632	7.9
135.69742	1.2
137.09708	13.1
141.06693	7.6
143.04623	99.8
145.06238	5.6
146.04594	9.4
153.06706	7.0
160.00751	23.2
161.09694	5.1
166.09880	5.6
167.04613	7.5
167.08224	4.5
177.03424	6.6
179.04648	18.3
181.06210	1.5
184.10982	1.2
185.05585	1.5
197.05692	2.0
203.10799	100.0
210.08867	19.0
237.09558	52.3
242.07834	1.4
254.07797	19.7
272.08899	50.0
288.06720	12.7
306.07684	85.7
372.67355	1.5
377.62628	1.3
510.19391	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64983	0.6
59.01387	0.7
61.98835	100.0
62.66389	0.6
67.40223	0.6
83.19829	0.7
89.02435	0.8
93.85304	0.7
159.75661	0.7
216.32979	0.7
221.46820	0.7
384.61673	0.8
474.15604	0.7
493.37711	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28904	0.8
57.03456	1.4
59.01155	0.9
59.01388	14.9
60.62082	0.7
61.98823	1.9
71.01372	6.8
73.02943	1.7
74.66804	0.8
77.76801	0.8
80.02647	0.9
85.02949	3.9
87.04501	6.0
89.02457	1.4
92.11667	1.0
93.03445	1.5
95.01321	1.0
96.95974	1.1
97.02945	1.4
101.02429	4.7
108.01438	1.8
108.02174	41.4
111.00851	1.1
113.02435	2.0
113.77499	0.9
123.04516	17.5
127.35920	0.9
135.08148	1.1
137.02423	4.8
137.09702	5.1
139.00397	8.1
149.09802	0.9
149.95186	1.0
152.01160	100.0
153.01823	4.2
153.09273	1.2
154.02759	7.4
155.10776	24.3
167.03490	90.5
168.04001	1.3
169.05064	7.1
169.12476	0.8
177.09248	1.0
179.10643	1.5
180.52887	0.9
181.08743	0.8
191.10712	1.4
199.09773	20.4
213.11234	1.2
241.10851	4.7
280.33032	0.8
283.11932	14.2
285.70346	0.9
312.09369	1.0
343.13998	6.5
429.11295	0.9
429.95593	1.0
451.23581	1.3
451.28796	1.1
511.18069	5.3
511.25781	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	511.24
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.1
61.12314	0.2
63.60688	0.2
71.01382	1.5
73.02927	0.4
75.00468	0.2
75.00866	1.0
85.02945	0.3
85.06586	29.9
87.04494	1.4
88.04035	0.3
89.02425	1.6
99.00879	0.2
101.02464	0.5
113.02444	0.4
113.06142	0.2
129.05577	0.4
130.08714	0.4
131.03479	2.3
131.07137	100.0
132.02995	0.4
132.07445	0.4
149.02425	1.1
149.04561	0.3
150.03191	1.5
150.66447	0.2
164.99319	0.2
165.05560	1.2
173.75125	0.2
243.70551	0.2
244.13139	0.2
257.18512	0.2
301.11044	0.3
379.16068	1.2
386.62769	0.2
463.16342	1.8
493.11691	0.2
511.18097	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29929	0.3
54.18839	0.3
55.01893	3.0
57.03451	1.0
59.01387	73.2
61.98831	0.8
66.36724	0.4
69.65170	0.4
70.32868	0.3
71.01384	20.0
72.99315	0.5
73.02947	6.7
83.01382	4.0
83.05010	0.8
85.02950	10.0
87.00854	0.7
89.02424	1.5
92.12331	0.9
95.01367	1.9
99.00875	3.5
101.02435	15.3
113.02444	7.0
118.72276	0.4
131.41162	0.4
143.03520	0.5
152.01146	1.8
155.10788	0.5
159.02991	1.0
161.04553	8.3
167.03572	0.8
173.09680	0.6
241.16032	0.4
242.09201	0.5
254.95538	0.5
257.15671	1.5
287.16626	0.7
289.18130	100.0
290.18643	0.8
323.44656	0.5
416.18494	0.6
445.26611	0.5
445.33136	0.4
451.23447	60.1
511.25375	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	511.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05556	0.4
52.14518	0.6
63.04037	0.5
63.78829	0.4
75.75156	0.4
79.52677	0.5
88.08068	0.5
153.09213	0.9
172.53970	0.5
205.71365	0.6
293.38925	0.6
453.33777	66.1
454.34061	3.8
511.29642	100.0
512.29987	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	511.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82967	0.1
59.01387	53.7
62.62605	0.1
71.68934	0.1
73.51531	0.1
75.32755	0.1
79.41862	0.1
80.05083	0.3
81.03462	5.2
83.05032	14.8
90.44106	0.1
91.01522	0.2
91.09815	0.1
100.07687	0.2
107.06136	0.7
108.04530	0.4
114.56227	0.2
125.07184	2.2
126.05645	0.2
135.13501	0.2
137.89909	0.2
143.08282	1.0
147.22917	0.1
161.18073	0.2
167.78096	0.2
170.47429	0.2
207.15018	2.2
224.17702	3.7
225.16098	11.0
242.18768	1.1
268.16837	0.3
273.74081	0.2
290.22382	0.2
309.21732	0.3
324.26489	1.4
333.23007	2.5
351.23859	1.2
367.27133	1.4
385.28406	0.7
433.31854	7.3
451.32925	100.0
452.33365	2.1
511.35287	0.6
517.36469	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46219	1.0
59.01391	26.8
61.16058	1.0
68.88094	0.9
71.01379	30.5
72.99304	72.2
73.02943	1.3
78.95886	7.9
84.73627	1.1
85.85893	1.1
87.00858	1.2
89.02435	26.8
92.11735	1.3
96.96957	4.2
101.02444	12.2
107.55698	1.1
113.02459	8.3
114.99567	1.6
115.00365	39.5
119.03489	8.8
128.95956	2.3
133.01422	97.2
152.95956	81.8
170.90233	1.4
170.97008	100.0
171.00618	4.7
179.05583	6.2
200.05203	1.3
228.49034	1.2
287.78104	1.3
316.38309	1.3
341.10880	40.6
392.60754	1.2
513.08698	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	513.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56621	0.1
59.01388	0.3
66.26879	0.1
71.01379	0.1
76.14395	0.1
78.95914	7.6
79.95754	1.8
82.95425	0.2
96.96015	100.0
96.96925	12.6
131.07152	0.6
158.63847	0.2
173.07161	0.1
180.04257	0.1
195.06676	0.2
206.42097	0.1
223.98003	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	513.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16969	5.0
58.23047	5.2
59.01384	47.9
59.49797	6.3
61.98825	11.3
63.54656	6.5
66.71606	5.5
68.83035	6.8
68.84728	5.6
71.01377	61.8
73.92123	6.2
88.59737	6.3
89.02455	62.5
92.65823	6.4
96.95978	13.6
97.02959	7.3
97.22450	5.4
104.88856	7.1
115.00370	8.1
125.02419	14.7
126.55384	6.4
133.01428	10.0
150.06847	7.1
153.01909	11.9
168.04390	9.8
233.06657	27.8
293.08783	100.0
477.16309	27.4
513.13721	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73651	0.2
57.03479	0.3
59.01146	0.2
59.01383	2.8
61.98828	0.7
71.01387	1.2
71.02721	0.3
81.36774	0.3
82.95436	0.3
88.98779	0.8
89.02461	0.8
90.34367	0.3
95.05019	12.2
96.96020	2.6
97.06583	73.2
101.02394	0.4
110.16307	0.3
113.02465	0.3
114.38197	0.3
115.07645	25.2
128.03496	0.5
130.08751	1.4
141.05557	2.5
157.71626	0.4
159.06630	100.0
172.09814	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89408	0.5
53.11890	0.4
59.01387	1.1
61.98828	1.2
97.06580	0.9
132.63460	0.6
137.02432	3.6
137.06061	1.2
149.25719	0.6
158.07344	2.7
159.08142	2.4
166.02705	1.1
171.08176	1.2
179.03496	12.1
181.05119	1.4
185.05952	0.7
186.06845	0.7
194.05852	9.7
194.82854	0.6
209.08168	7.5
221.41095	0.6
225.09344	0.9
227.09428	4.2
234.49234	0.7
240.11569	12.2
253.12360	1.4
255.10210	3.3
255.14005	1.0
257.15536	1.4
269.11874	2.6
269.15366	1.2
270.12601	6.7
285.14984	100.0
286.15378	2.3
513.25000	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	513.359
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07594	0.2
59.01387	1.9
59.01655	0.2
77.78031	0.2
89.02425	1.7
111.15985	0.3
113.46140	0.3
125.87355	0.6
126.88130	0.6
127.86953	0.4
128.87823	0.6
136.66296	0.2
153.09219	0.6
156.95471	0.3
157.86351	0.3
159.85913	0.5
185.22177	0.3
332.19708	0.3
390.64334	0.3
403.09164	1.0
404.09491	0.4
405.08737	1.7
453.33823	6.7
513.35895	100.0
514.36267	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	10.5
63.71066	0.2
78.95887	0.9
90.31490	0.2
92.12354	0.2
98.41541	0.2
116.04536	0.2
152.99620	0.4
160.07130	0.2
184.97302	0.2
293.91486	0.2
312.02679	0.2
320.35498	0.2
334.43256	0.3
384.05801	0.2
391.29938	0.3
407.33316	0.4
430.02682	0.3
449.34244	0.9
453.33777	4.9
466.88544	0.2
483.28055	0.2
495.34985	5.3
513.35889	100.0
514.36133	3.7
521.06714	0.2
538.36108	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12440	0.2
55.17129	0.2
58.14204	0.2
59.01384	1.9
61.72866	0.2
62.03902	0.2
62.64014	0.2
95.14294	0.2
331.66669	0.2
453.33749	3.6
511.48111	0.3
513.35858	100.0
514.36224	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.359
Annotation	Acetyl-11-keto-B-Boswellic Acid, 3-
Peak:m/z	Relative Intensity
55.74295	0.5
56.06135	0.5
59.01386	9.6
62.18338	0.5
62.44368	0.5
62.56694	0.5
66.71771	0.5
67.43193	0.5
74.60919	0.5
96.96021	3.1
152.99684	0.6
453.33951	5.4
513.35980	100.0
514.36255	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	514.325
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00180	0.1
59.01387	1.4
61.98835	100.0
68.44349	0.1
71.01379	0.2
76.43786	0.2
83.05053	0.2
89.02460	0.7
97.06738	0.1
99.00873	0.2
124.17748	0.1
181.61287	0.1
186.76370	0.1
190.01479	1.6
205.03859	0.8
220.06236	1.5
232.34134	0.2
295.30408	0.2
452.33499	0.3
453.33563	1.4
454.17422	0.9
454.33896	0.8
514.32977	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2271
Annotation	Arisanschinin J
Peak:m/z	Relative Intensity
54.82722	2.4
55.88932	2.3
57.03461	2.5
59.01395	30.1
61.98839	31.8
69.84586	2.5
71.01382	17.2
71.49928	2.5
73.02934	6.5
83.01363	3.6
85.02973	5.8
89.02441	5.3
96.96001	3.2
99.04552	3.0
101.02422	19.6
112.38230	3.0
113.02452	6.5
127.50965	2.6
139.69518	3.0
143.03522	3.6
161.04591	4.8
166.08836	3.6
211.04031	3.0
255.13931	4.5
280.77631	3.0
347.20868	7.1
351.65030	3.2
479.19318	8.7
479.25116	72.9
500.07220	3.9
515.22699	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	515.2268
Annotation	Arisanschinin J
Peak:m/z	Relative Intensity
52.60110	2.5
54.82600	2.8
56.12622	2.8
59.01385	35.3
61.98837	32.5
63.41679	2.5
71.01374	12.9
73.02943	6.5
83.01387	2.8
85.02958	6.2
89.02437	4.9
90.01511	2.7
92.12399	10.3
99.00860	3.4
101.02432	14.6
108.18983	3.3
111.00986	3.2
172.90164	2.6
182.06697	3.7
222.20341	3.4
255.13943	12.2
347.20972	6.2
479.19238	7.8
479.24991	80.1
502.50894	3.6
515.22681	100.0
540.32013	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2864
Annotation	L-Olivosyl-oleandolide
Peak:m/z	Relative Intensity
52.29932	0.7
55.01880	3.8
57.03445	4.1
58.00574	0.7
59.01391	44.1
59.60686	0.7
60.82690	0.6
61.98828	3.5
63.00153	0.6
68.36880	0.7
71.01390	28.4
72.99318	1.3
73.02937	5.2
83.01393	4.8
85.02958	11.5
86.38934	0.8
87.00880	1.1
87.04513	1.3
89.02442	11.6
95.01376	3.5
96.96001	1.3
99.00902	1.2
101.02449	18.9
113.02460	10.5
119.03491	4.5
137.09671	1.5
161.04480	1.1
165.00877	0.9
196.20059	0.8
213.67656	0.9
284.14767	0.9
459.02408	0.8
470.04443	1.0
474.99622	0.9
515.28668	100.0
516.29041	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3015
Annotation	Adynerin
Peak:m/z	Relative Intensity
52.15297	0.7
59.01378	2.9
61.98816	3.2
84.92106	0.7
121.02953	1.8
128.09193	0.7
142.64105	0.8
194.96082	0.8
203.66193	0.7
295.61560	0.9
299.12704	0.7
326.79129	0.8
339.91611	0.8
423.29227	3.0
441.30222	3.2
467.28128	1.7
467.91678	0.8
471.31210	5.3
485.29221	11.2
515.30170	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	515.3017
Annotation	Adynerin
Peak:m/z	Relative Intensity
51.20005	0.4
59.01373	0.9
61.98827	0.6
71.01385	0.4
72.99298	0.6
73.85347	0.4
87.00848	0.4
273.18649	2.2
343.22705	0.5
355.61224	0.5
381.27896	2.6
422.08649	0.5
425.30713	12.8
453.30173	0.8
469.29874	3.5
471.24939	0.8
471.31204	17.6
515.30188	100.0
516.30060	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3022
Annotation	Ceanothetric acid
Peak:m/z	Relative Intensity
55.45403	0.5
59.01400	4.7
59.71354	0.4
61.98826	0.8
64.92387	0.6
69.81313	0.4
71.01382	1.3
85.57269	0.6
87.07964	0.5
88.96140	0.6
89.02412	0.5
98.04583	0.5
101.02428	0.9
120.57700	0.6
122.07780	0.6
129.01971	0.5
169.71312	0.7
192.96065	0.8
423.28714	0.8
441.30191	7.0
471.31207	100.0
515.30084	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	5.7
60.55785	0.5
71.01374	3.7
89.02449	2.5
91.08225	0.5
101.01861	0.5
101.02383	3.8
113.02448	0.9
116.92831	1.2
119.03468	0.7
152.99580	0.5
156.05594	0.5
157.06866	0.6
161.04662	0.9
223.35880	0.6
235.08144	0.8
253.09329	10.4
279.23312	100.0
295.93021	0.6
336.81284	0.6
515.62946	0.6
536.59033	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77434	0.2
57.03454	0.6
59.01389	14.7
62.15751	0.3
62.61296	0.3
70.17723	0.3
71.01385	20.3
72.99306	1.7
73.02941	1.7
83.00417	0.3
83.01399	0.4
85.02956	2.1
87.00876	38.7
92.41884	0.4
99.00838	0.4
101.02446	0.4
112.98808	1.6
113.02436	1.2
115.00371	71.8
129.01930	0.3
133.01408	0.7
136.46751	0.3
161.23393	0.3
175.02481	100.0
176.02863	0.5
219.41066	0.3
407.36157	0.4
484.41159	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81028	4.0
57.34561	4.7
58.63203	3.7
59.01386	85.7
60.11910	3.9
61.98818	5.9
64.34319	4.8
65.21991	4.1
68.99585	42.6
71.01376	51.1
78.95908	4.9
87.00858	5.8
89.02437	56.9
91.45715	4.3
95.01397	5.5
96.96011	80.2
96.96930	6.0
98.95589	37.8
101.02435	31.9
112.98545	40.8
113.02437	9.8
119.03506	23.6
124.15843	4.9
127.91823	4.9
128.03519	6.6
137.02490	6.4
151.00348	4.9
175.02507	8.3
178.99866	9.3
179.04230	5.7
179.05550	44.6
193.05037	17.6
206.99356	80.1
208.00192	17.8
213.05635	10.2
221.04570	36.4
222.01746	19.5
241.05109	100.0
255.06708	20.2
256.07440	65.7
270.09000	19.9
271.09714	93.1
299.97543	5.4
301.10733	5.6
341.08743	31.3
421.03445	5.3
517.12091	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13292	3.5
59.01385	79.4
63.04466	4.4
67.47546	4.4
68.99569	11.2
71.01382	45.6
85.02911	5.6
87.00861	5.5
89.02438	69.7
96.96008	100.0
96.96948	11.4
97.94377	4.8
98.95574	45.9
101.02437	25.7
102.05442	4.9
112.98567	9.4
113.02454	11.8
115.00358	5.9
119.03486	9.1
120.99552	5.6
128.03517	8.8
130.08743	7.4
135.04417	4.7
137.02464	9.1
143.03546	6.2
148.57335	4.6
151.04065	7.5
161.04630	5.8
175.03969	6.8
179.05641	44.4
193.05107	21.2
200.53674	5.7
206.99356	59.4
208.00203	5.6
208.64879	5.9
213.05435	6.2
221.04622	37.8
222.01764	10.7
241.05089	81.2
255.06592	11.9
256.07541	45.7
271.09784	82.0
272.78085	5.3
301.10910	10.1
341.08871	54.2
415.86478	5.3
481.20163	6.4
517.13708	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	517.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	41.4
61.98823	0.5
64.48777	0.3
65.42802	0.2
67.87128	0.2
68.99548	1.2
71.01356	0.6
78.54161	0.3
83.92752	0.2
92.11718	0.3
96.95988	0.6
99.05663	0.4
112.98583	1.9
119.01328	0.4
131.08368	0.3
133.01372	0.3
135.00897	2.4
150.03296	1.0
163.00366	6.7
177.02025	0.3
178.02707	0.3
190.99876	58.7
192.00322	0.4
205.01399	0.6
206.02225	85.6
207.02562	0.4
221.04582	100.0
222.04944	0.5
284.64273	0.4
517.24329	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02345	0.8
55.01872	1.2
58.00594	1.5
59.01387	89.8
61.69725	1.1
67.98502	0.9
69.03465	9.6
71.01382	83.7
72.99304	2.4
73.02951	14.2
75.00863	2.3
81.03442	5.0
83.01369	6.0
85.02946	12.5
86.45792	0.9
87.00882	4.1
88.98792	1.4
89.02441	100.0
95.01398	2.0
96.95933	1.4
97.02959	16.3
99.00887	17.3
99.04491	1.6
99.08113	2.0
101.02436	15.5
109.02959	1.5
111.00867	1.9
113.02457	5.9
115.03983	11.8
117.87488	0.9
123.10868	1.2
125.02443	48.7
131.03519	9.2
143.03511	2.4
145.08685	5.3
148.05309	70.0
149.04503	11.5
149.05621	1.5
161.04614	1.7
163.07660	22.7
173.44980	1.1
191.05612	8.8
213.16592	1.1
233.06657	37.2
272.56052	1.3
293.08813	87.4
418.02057	1.1
448.68069	1.2
457.17313	1.7
479.19183	2.0
479.25247	2.7
517.15308	1.1
517.22424	11.0
517.29315	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43169	0.8
55.01888	1.4
56.71336	1.0
57.03456	1.1
58.00594	2.3
59.01387	94.4
61.98827	2.0
62.14164	0.9
69.03457	12.1
71.01384	83.1
72.99304	2.4
73.02937	12.6
73.03230	0.8
73.49008	1.0
75.00870	4.2
79.59929	1.2
81.03453	4.0
81.97009	1.0
83.01392	6.4
85.02955	12.4
87.00918	1.2
89.02441	97.5
95.01372	4.0
96.96007	2.2
97.02946	15.8
99.00874	20.3
99.04492	1.6
101.02425	16.4
111.00870	1.5
113.02449	7.8
113.18694	1.1
114.32243	1.2
114.38939	1.2
115.04055	9.3
119.03452	1.2
125.02434	51.4
127.05080	1.0
131.03497	8.9
143.03532	5.3
148.05312	100.0
149.04573	14.4
163.07652	39.1
184.22929	1.1
191.05560	9.3
233.06671	34.6
273.07538	1.4
293.08820	87.0
302.93271	1.2
471.30984	8.2
473.32733	1.3
481.20297	1.3
517.31976	8.3
522.00452	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3178
Annotation	Saponaceolide A
Peak:m/z	Relative Intensity
57.94235	0.5
59.01380	1.3
61.98819	0.9
67.38783	0.5
68.64831	0.4
76.91154	0.5
82.92779	0.7
95.74018	0.7
102.76694	0.5
121.02964	2.2
266.95007	0.6
289.55151	0.6
394.62302	0.6
455.31857	0.7
471.30981	0.7
473.32684	8.9
487.30154	0.8
517.31732	100.0
518.32294	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	517.3175
Annotation	Saponaceolide A
Peak:m/z	Relative Intensity
50.54644	0.1
51.66020	0.1
53.95784	0.2
57.03200	0.2
57.03461	4.0
58.86332	0.2
59.01377	1.1
60.30886	0.2
61.58378	0.2
61.98844	0.2
62.50371	0.2
62.66043	0.1
70.57045	0.2
84.27606	0.2
93.43097	0.2
115.28026	0.2
122.90451	0.2
140.40553	0.2
151.61021	0.2
217.00417	0.2
274.28250	0.2
341.25122	0.2
371.29608	3.3
379.93835	0.2
397.27542	0.9
413.30750	0.9
415.28571	3.5
441.26642	0.3
455.31696	0.9
457.29715	0.3
473.32761	5.9
517.31763	100.0
518.31982	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	517.3183
Annotation	Saponaceolide A
Peak:m/z	Relative Intensity
50.61083	0.1
54.82187	0.2
56.06132	0.1
59.01367	0.8
62.29465	0.1
69.97317	0.1
73.02941	0.2
76.56893	0.1
83.14562	0.1
92.98978	0.1
94.11201	0.1
227.79222	0.1
263.51169	0.2
364.09326	0.2
395.29922	0.3
427.28320	0.2
439.29080	0.2
471.31531	1.1
472.31342	0.2
473.32724	9.6
517.31744	100.0
518.32098	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.318
Annotation	Bartogenic acid
Peak:m/z	Relative Intensity
52.30234	0.6
53.66504	0.6
59.01387	9.1
61.98827	4.2
64.34164	0.7
67.03621	0.7
71.01381	0.9
85.02927	0.9
87.00854	1.1
101.02388	1.3
118.38666	0.8
132.05539	0.8
205.71458	0.8
280.91541	0.8
335.68393	0.8
369.12454	0.8
397.57364	0.7
473.32758	100.0
474.32941	2.8
517.31671	54.1
518.32288	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17903	0.4
51.74835	0.4
53.46278	0.4
53.61610	0.3
57.40402	0.4
59.01388	7.5
61.98819	0.8
71.01378	2.9
73.02921	0.5
75.89120	0.4
78.65556	0.4
78.95921	1.7
83.01375	0.9
85.02935	0.6
87.00879	0.5
89.02430	4.2
101.02432	2.8
113.02444	0.9
119.03518	0.7
125.55653	0.5
152.99591	3.0
161.04581	1.1
163.07626	6.8
221.93646	0.6
253.09340	9.3
281.24893	100.0
282.25226	3.0
354.41690	0.5
457.33469	4.6
502.97394	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.8
71.01376	3.1
71.56233	0.3
72.56462	0.3
73.02947	0.7
78.95887	0.8
85.02959	0.3
87.00851	0.4
89.02454	3.6
101.02439	2.8
102.19958	0.3
113.02456	1.8
116.92819	0.6
118.91835	0.3
119.03481	0.7
151.38916	0.3
152.99605	2.7
161.04613	0.7
235.08231	0.7
253.09303	8.8
281.24881	100.0
282.25244	1.9
285.66208	0.4
337.21973	0.5
435.25256	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82707	1.1
55.01900	1.1
59.01386	18.4
61.98837	2.4
65.90951	1.1
69.03828	0.9
71.01374	14.0
72.36563	1.0
72.85691	1.0
73.02944	4.9
74.38141	1.0
75.00857	1.2
78.24497	1.1
83.01374	4.3
85.02945	7.2
89.02450	5.3
96.95987	1.7
99.17340	1.0
100.39856	1.1
101.02431	11.0
113.02441	4.8
119.03513	1.3
120.01241	57.3
130.08801	1.4
174.65030	1.0
228.30379	1.1
257.38412	1.1
297.06577	1.6
311.08151	1.6
363.24121	1.3
379.01941	1.0
397.18695	100.0
398.18997	2.0
463.36462	1.3
483.16907	1.5
490.46115	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.2
57.23500	0.2
59.01392	2.0
59.79251	0.2
62.48819	0.2
69.22254	0.2
71.01398	2.7
72.00914	15.0
73.02951	1.8
83.01401	0.5
85.02979	1.6
89.02439	1.0
90.00246	0.2
91.05528	1.0
95.26881	0.2
98.82938	0.2
99.00902	0.5
101.02448	3.7
113.02457	1.1
138.28638	0.2
147.04520	48.8
159.03023	0.2
161.04533	2.2
164.07170	100.0
165.07550	0.5
221.10318	5.7
295.28433	0.2
353.14536	19.5
518.19830	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	1.7
59.01107	2.6
59.01385	56.4
59.56849	1.4
61.98827	7.6
62.23130	1.4
62.41281	1.4
65.63146	1.5
71.01380	35.5
85.02913	6.3
89.02441	43.4
90.04698	1.5
91.20706	1.4
95.01382	1.7
95.24168	1.5
96.95984	10.3
96.96956	1.7
99.28755	1.4
101.02428	15.2
111.33778	1.6
113.02447	10.9
118.03493	1.7
119.03499	17.5
128.03545	2.0
143.03520	2.2
145.02942	2.7
155.10776	6.8
163.04013	1.8
179.05693	2.8
213.43596	1.7
235.07622	6.3
253.08670	6.6
263.07104	18.2
265.08585	1.9
275.07300	2.4
281.08231	27.8
291.06607	6.4
292.07153	2.3
293.08160	9.4
296.10580	3.9
306.08054	1.8
307.09827	2.3
308.10440	6.6
309.07706	100.0
323.09238	8.3
324.10062	42.4
339.08313	2.4
339.12408	72.1
452.74692	1.7
519.17664	10.7
519.33289	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.2
57.03440	1.7
58.00598	3.8
59.01385	88.7
61.98817	4.3
66.41328	1.0
69.03454	10.6
71.01382	76.2
72.99290	4.3
73.02945	15.8
74.73297	0.8
74.99046	0.9
75.00858	4.4
77.65042	0.8
81.03445	4.4
83.01380	7.4
85.02943	13.3
85.97578	0.8
87.00854	2.3
89.02441	100.0
95.01366	1.5
97.02949	15.7
97.55060	0.9
99.00874	20.9
99.04528	2.2
101.02447	15.9
111.00882	1.5
112.83153	1.0
113.02450	7.5
115.04011	13.2
117.86678	0.9
119.03497	1.1
121.02962	10.1
125.02447	45.9
131.03484	10.2
143.03525	2.3
145.04768	1.0
149.04559	12.2
150.06862	59.5
161.04616	1.8
165.09219	19.9
182.49321	1.2
190.02658	1.7
191.05641	9.7
233.06706	32.9
293.08826	83.1
294.09152	1.0
459.18863	4.5
519.24426	3.7
519.33441	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2735
Annotation	Trp Trp Lys
Peak:m/z	Relative Intensity
59.01382	7.0
61.67786	2.6
61.98816	6.2
67.31075	3.0
91.00779	3.6
111.92965	2.9
121.65531	2.8
123.29675	3.1
358.00385	3.4
408.95163	3.8
519.27136	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	520.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56258	0.3
59.01368	0.5
61.98822	2.3
78.95899	47.5
82.33862	0.4
92.81998	0.3
96.96965	6.7
97.70614	0.4
100.76375	0.3
130.85349	0.3
150.98032	2.1
152.99586	100.0
162.59996	0.4
171.00682	2.9
197.45183	0.3
204.21230	0.4
223.46469	0.4
262.12265	0.4
279.23422	1.7
290.83304	0.4
309.45056	0.3
433.23621	19.8
520.26929	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	520.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91683	76.1
59.01381	98.4
70.73936	76.5
72.24625	96.8
72.27187	90.1
218.41165	89.9
237.16231	100.0
309.60028	99.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
56.33044	0.7
56.70407	0.7
58.00597	1.6
59.01391	73.6
60.47596	0.7
71.01388	52.1
72.99319	4.5
73.02949	4.7
75.00872	30.4
76.57409	0.8
79.81526	0.7
81.03448	1.0
83.01387	3.6
85.02968	9.0
87.00866	4.2
87.08044	0.8
89.02444	63.0
91.02947	0.8
92.51888	0.8
95.01392	1.4
101.02441	29.9
113.02434	16.0
113.87598	0.8
119.03499	17.3
119.04945	0.9
125.02455	1.6
131.03494	3.5
143.03497	5.4
149.04570	1.2
161.04561	9.7
179.05609	100.0
180.06723	1.6
200.01877	0.9
203.56007	0.8
212.19669	1.0
273.52600	1.0
341.10892	72.5
342.10895	1.2
423.85162	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.187
Annotation	Asystasioside A
Peak:m/z	Relative Intensity
56.08600	0.9
57.03453	4.7
58.00600	1.1
58.40481	0.9
59.01384	53.2
62.29761	1.0
69.03441	1.9
71.01382	40.4
73.02933	6.8
75.00868	1.4
75.08376	1.1
83.01379	2.6
85.02949	20.5
87.00875	16.1
89.02441	35.9
97.02952	6.9
99.00887	1.8
99.04523	1.1
101.02445	21.1
107.08601	1.5
109.06599	7.3
111.04527	1.3
113.02443	17.5
113.06076	1.8
119.03490	9.2
125.02426	1.4
128.50839	1.2
131.03534	1.2
133.10231	14.7
135.08154	5.2
149.09741	2.0
151.11301	2.7
153.09210	100.0
161.04601	2.8
167.10751	18.7
177.09247	2.5
179.05588	5.5
195.10268	15.4
197.08202	37.0
225.11238	1.5
239.09187	2.8
269.10355	10.0
299.11374	35.0
323.09750	2.8
339.57214	1.4
341.10876	15.9
343.29529	1.2
344.12769	1.4
359.13510	61.5
521.18695	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.0
57.03452	1.5
59.01115	1.4
59.01394	34.8
65.28739	0.6
69.03450	0.6
71.01390	25.1
72.99311	1.6
73.02937	3.1
81.03459	0.7
82.40438	0.6
83.01355	0.9
85.02956	5.7
87.00859	3.2
87.01336	0.7
88.99963	0.7
89.02446	24.5
95.01361	1.1
96.96017	1.0
97.02912	1.4
98.61192	0.7
99.00848	0.8
99.03814	0.8
99.04478	1.6
101.02435	13.5
109.02912	0.8
109.06580	1.3
111.04504	1.4
113.02441	10.8
119.03465	6.6
125.02416	1.0
130.08690	1.1
133.10205	3.8
135.08127	4.5
143.03458	1.0
149.04684	0.8
151.03984	1.7
151.11232	1.1
153.09212	100.0
160.05278	0.9
161.04602	2.8
161.05971	0.9
167.10799	3.1
168.76460	0.7
177.09209	1.2
179.05592	4.2
179.07149	2.8
182.31175	0.7
195.10271	3.0
197.08209	22.7
227.90582	0.7
239.09288	1.0
256.35699	0.7
269.10364	8.9
287.90073	0.7
299.11258	1.4
323.09872	5.1
329.13956	5.1
341.10928	11.2
343.87595	0.9
359.13565	7.7
477.19681	1.6
503.24606	0.9
521.18787	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.4
68.08134	0.1
71.01395	0.6
71.05032	0.9
85.02933	0.2
85.15932	0.1
87.00883	4.1
87.04527	1.9
89.02444	0.8
96.96003	0.5
113.02534	0.2
115.04012	100.0
116.04330	0.2
125.02419	0.2
142.05098	15.9
147.03880	0.2
179.05753	0.2
201.60599	0.1
233.53543	0.1
293.08722	0.2
341.10892	0.7
361.95038	0.2
419.73724	0.2
433.13760	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2033
Annotation	Woorenoside XI
Peak:m/z	Relative Intensity
52.57437	0.9
55.01883	0.9
57.03450	1.8
59.01389	27.8
60.56573	0.9
61.98833	2.2
64.63987	0.8
67.67699	1.0
71.01385	18.3
72.99278	1.0
73.02946	3.9
75.00867	1.3
83.01380	2.6
85.02944	7.9
87.00840	2.2
89.02448	10.2
93.18882	1.0
95.01332	1.1
96.96030	4.7
99.00884	1.8
101.02441	12.2
102.08498	1.1
109.02939	1.6
113.02419	5.2
121.02972	9.9
136.01575	1.1
142.58470	1.0
145.08713	4.8
145.09824	1.2
147.04602	1.1
159.04556	2.3
200.57822	1.1
240.04346	2.0
253.08690	1.4
255.06529	2.1
263.07095	1.3
267.06738	1.9
268.07477	6.3
269.08212	7.9
270.08862	1.0
280.07404	1.8
281.08197	14.6
282.08942	4.3
283.09778	9.5
293.08237	4.5
295.09818	5.0
296.10498	1.7
299.09329	5.5
300.09851	1.5
311.09308	6.9
314.08197	2.2
314.11646	11.4
315.12390	6.8
325.10922	1.3
326.11551	10.5
327.12534	7.9
329.13867	13.9
341.14001	7.6
343.11758	5.0
355.11829	6.8
461.14661	1.8
473.14636	8.1
476.16876	11.4
485.19922	1.1
488.16733	6.4
491.19296	100.0
503.19318	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	5.1
55.51401	0.5
57.03451	3.5
58.00589	0.6
59.01387	32.6
61.98834	0.8
68.17136	0.6
71.01383	76.6
72.99284	1.1
73.02945	18.9
74.18383	0.6
75.00890	0.7
78.95914	2.7
83.01377	9.1
85.02952	31.7
87.00851	0.9
89.02438	17.8
89.39249	0.6
95.01373	5.7
96.96002	15.3
96.96954	3.9
97.03016	0.7
97.79701	0.6
98.95589	0.9
99.00890	8.5
101.02442	36.7
113.02446	35.3
119.03496	3.5
131.03523	0.7
143.03506	4.1
159.02992	7.4
161.04561	100.0
179.05624	1.1
188.05649	20.3
252.97456	0.8
260.11349	3.6
326.88031	0.9
333.05252	0.7
414.27026	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2605
Annotation	Platanionoside I
Peak:m/z	Relative Intensity
53.26944	0.7
54.47209	0.6
55.01894	1.7
57.03446	1.3
59.01385	25.3
59.53773	0.8
61.98826	0.8
71.01384	17.3
72.99288	3.7
73.02937	6.4
75.00868	0.7
77.84027	1.0
79.45673	0.8
83.01379	2.1
85.02946	6.9
87.00852	1.4
89.02428	5.0
95.01395	1.4
96.95980	9.5
97.02967	1.1
99.00883	3.5
101.02435	9.5
113.02419	4.0
115.04041	1.0
124.01677	0.9
125.02395	1.6
126.63654	0.9
131.53195	0.8
156.62477	0.8
181.16060	1.5
227.16562	6.6
286.57962	0.8
371.20813	3.4
389.21811	34.5
521.26099	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	521.2606
Annotation	Platanionoside I
Peak:m/z	Relative Intensity
53.48614	0.3
55.01879	2.0
57.03444	2.0
57.35843	0.4
58.00584	0.5
59.01112	0.7
59.01390	13.8
61.98808	0.4
69.03461	1.6
71.01382	14.1
71.05019	0.7
72.99314	5.1
73.02936	5.9
75.00866	0.7
83.01383	2.9
85.02946	6.5
86.00069	0.5
87.00860	2.1
89.02447	5.2
95.01377	0.8
97.02921	0.9
99.00871	3.4
99.04539	0.5
101.02430	8.0
113.02439	4.2
115.04020	0.5
123.46579	0.5
124.01654	0.5
125.02390	0.8
130.52959	0.5
143.03484	0.4
150.17619	0.4
181.15999	1.1
191.08922	0.5
197.02821	0.7
202.38072	0.4
209.15431	1.0
226.03435	0.4
227.16563	22.7
255.61858	0.4
273.01715	0.4
283.28702	0.4
335.94748	0.5
371.20847	4.8
389.21875	33.8
503.25458	0.6
521.26074	100.0
522.26575	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50766	0.5
51.03604	0.5
53.84022	0.5
55.01862	0.7
56.16008	0.6
58.00578	0.7
58.15965	0.5
59.01385	52.5
68.32561	0.6
71.01383	34.7
72.00913	11.4
72.99319	1.1
73.02955	0.7
73.11602	0.6
74.02467	0.7
85.02952	4.8
87.00903	1.1
89.02446	47.3
93.03452	10.1
95.01424	1.4
101.02441	17.9
107.05006	0.8
113.02441	15.1
113.86575	0.7
116.07183	0.9
119.03505	15.7
119.05016	26.5
131.03464	1.2
143.03496	3.8
149.04562	1.1
161.04594	4.4
163.04005	36.7
179.05620	19.8
180.06668	100.0
275.68936	0.7
341.10898	90.3
369.62225	0.8
428.25531	0.8
473.54083	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06887	0.5
51.18518	0.5
57.28544	0.5
61.06327	0.5
61.98831	2.5
62.42300	0.5
65.54262	0.5
66.24829	0.5
78.95902	49.2
80.86605	0.5
81.09509	0.7
88.98801	0.9
96.96972	5.9
97.29990	0.5
150.98035	1.2
152.99596	100.0
171.00620	4.7
174.92007	0.6
187.46329	0.7
281.25046	0.7
378.64246	0.6
435.25290	18.1
488.55231	0.6
498.07007	0.8
522.21509	0.9
522.28198	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	523.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35978	0.1
60.99305	0.1
61.36531	0.1
63.66890	0.1
66.33614	0.1
74.02472	0.1
78.95898	100.0
88.98808	1.1
89.02430	0.2
96.96954	2.8
120.99633	3.7
143.11905	0.1
164.03529	0.3
169.05223	0.1
188.80666	0.1
244.00157	24.7
360.86847	0.1
393.27338	0.2
409.80396	0.2
456.32416	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68067	0.5
53.69142	0.4
54.86959	0.4
55.62930	0.4
56.26517	0.4
57.03462	0.6
58.00616	0.6
59.01107	0.9
59.01384	20.0
61.98827	0.8
69.03453	0.6
71.01378	16.8
72.99298	0.7
73.02953	6.9
75.00865	0.7
81.03391	0.4
83.01380	0.9
85.02940	3.5
85.87632	0.4
87.00834	0.7
87.03601	0.5
87.04473	0.8
88.98813	0.7
89.02434	19.4
93.03447	16.0
96.96008	0.7
99.00879	4.7
101.02438	8.8
108.61561	0.5
113.02460	5.1
113.03136	0.6
115.00340	3.7
115.04011	0.5
116.92854	0.7
119.03483	2.2
119.36198	0.5
121.02950	3.2
122.03727	2.4
125.02350	0.6
131.03490	3.0
133.01436	4.9
135.08160	1.0
137.02443	23.5
137.09714	10.6
139.11282	0.7
143.03545	0.7
149.04535	6.7
153.09207	2.4
155.10776	100.0
156.11156	0.5
161.04579	1.0
165.05574	4.8
169.12384	0.8
173.08139	0.5
179.05647	1.1
179.07115	0.9
181.08646	1.0
191.05586	2.0
197.08244	0.8
199.09764	32.0
205.32323	0.5
241.10764	2.3
251.07767	0.6
331.15295	0.6
346.14261	1.0
361.16605	15.0
463.21774	2.3
523.20313	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	523.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53736	0.6
57.03438	0.7
58.00594	0.7
59.01150	0.6
59.01387	9.6
71.01389	10.7
73.02950	5.0
82.15149	0.5
84.59596	0.6
85.02946	1.3
87.00906	0.7
87.04509	5.6
89.02466	5.0
97.02902	0.8
101.02438	6.2
119.03451	0.8
125.36147	0.6
126.41021	0.7
135.08192	0.7
137.08685	0.8
137.09712	16.3
139.11273	1.1
146.95050	0.6
149.76128	0.6
154.79526	0.5
155.10779	100.0
157.63150	0.6
161.04594	0.9
165.13756	0.5
165.95325	0.5
169.12312	3.6
175.22096	0.6
181.08696	3.8
199.09767	53.3
203.28085	0.6
213.11371	3.9
217.36937	0.6
223.01332	0.6
241.10809	17.4
242.17790	0.6
271.11920	3.0
301.12897	9.5
361.10522	0.8
361.15036	25.6
523.20349	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.5
57.03454	0.4
57.04078	0.2
58.00593	0.5
59.01388	17.0
60.41047	0.2
63.29121	0.2
69.03467	0.4
71.01381	11.6
72.99306	0.4
73.02949	4.1
76.57767	0.3
83.01389	0.5
85.02939	3.0
87.00844	0.6
87.04502	1.3
89.02437	9.0
90.95407	0.3
92.12439	0.4
95.01387	0.6
97.02932	0.4
101.02438	6.3
113.02453	3.7
119.03503	3.8
125.02429	1.3
135.08160	1.4
137.09721	10.3
139.64966	0.3
143.03539	0.4
155.10785	100.0
156.11142	0.4
161.04668	0.4
165.05351	0.3
167.06633	0.3
169.12305	0.6
179.05600	1.5
181.08749	1.7
199.09778	37.7
200.10136	0.3
241.10823	2.3
253.10745	1.0
271.11877	0.4
331.15399	0.3
343.13989	10.5
361.16010	1.2
466.86383	0.3
472.70844	0.3
523.20447	39.7
524.20697	0.5
536.20288	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2198
Annotation	Mascaroside
Peak:m/z	Relative Intensity
54.76515	0.7
55.01880	3.6
57.03448	1.7
58.00587	3.2
59.01389	100.0
69.03465	0.7
71.01384	50.0
72.99291	5.0
73.02932	4.7
82.95369	1.0
83.01385	3.9
85.02953	13.5
87.00870	3.0
89.02443	38.7
93.03451	3.5
95.01377	5.2
97.02125	0.7
99.00870	1.1
101.02442	24.2
109.02940	3.7
113.02455	16.9
114.61401	0.7
119.03503	17.2
121.02950	48.6
121.66790	0.7
122.03745	12.4
123.04537	1.4
132.73236	0.8
133.56511	0.7
135.04555	2.5
136.05315	0.9
137.06107	0.8
137.09695	1.5
146.03775	0.9
147.04533	7.3
149.04625	0.8
149.06065	1.2
154.02673	1.5
155.10789	16.4
161.04579	1.1
161.06055	2.8
161.85487	0.8
164.04823	1.1
165.05560	21.1
179.05626	3.2
179.07144	6.8
191.07202	0.8
192.07910	4.4
193.28510	0.7
195.30675	0.8
199.09807	6.9
236.06721	0.7
298.12314	1.2
299.12915	1.0
315.12476	0.9
328.13217	12.6
343.15582	26.9
346.14304	8.6
347.14734	1.0
361.16623	54.4
421.35330	0.8
523.21887	73.9
524.22076	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2193
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.98358	0.3
59.01390	4.9
63.90728	0.3
71.01389	4.0
73.02944	0.9
75.00898	0.5
85.02962	0.3
87.40328	0.3
89.02438	4.0
93.03468	5.1
94.54459	0.3
96.96054	0.4
99.00847	0.8
99.78407	0.4
101.02426	1.4
108.02130	0.4
109.02944	6.8
113.02453	0.9
119.04958	0.4
121.02946	22.0
122.03722	20.4
123.04548	2.9
123.05287	0.4
124.01653	1.6
129.03426	0.5
133.01480	0.4
133.69450	0.4
134.03661	0.7
134.89430	0.6
135.02974	0.8
135.04483	2.8
136.05278	1.9
137.02428	6.2
146.03709	0.6
147.04532	9.2
148.05339	0.8
149.04536	1.4
149.06068	0.7
154.02734	1.9
155.10745	1.8
160.54073	0.4
161.04756	0.3
161.06049	3.0
164.04753	0.4
165.05568	33.3
175.07605	0.4
178.02289	0.4
178.06332	0.8
179.07133	10.8
191.07173	0.6
197.33423	0.4
199.09808	0.8
209.08180	0.8
223.09715	1.4
298.12112	0.5
301.10712	0.6
313.14597	2.0
315.12399	3.2
345.13522	0.4
346.14218	12.9
361.16595	100.0
369.27878	0.5
463.21759	3.0
523.21265	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2766
Annotation	Sedumoside A6
Peak:m/z	Relative Intensity
55.01886	2.4
57.03441	1.3
59.01109	0.8
59.01388	16.2
61.98814	1.4
69.03427	0.6
69.52460	0.6
71.01385	13.4
72.99309	3.0
73.02941	5.1
75.00864	6.1
82.29866	0.5
83.01387	2.4
85.02952	6.2
86.00110	0.6
87.00907	1.3
89.02428	5.8
95.01353	0.7
97.02942	1.0
99.00883	3.8
101.02424	6.7
108.02120	1.0
111.00880	0.8
113.02438	3.7
115.04007	0.6
125.02481	1.1
131.03481	0.7
141.12781	0.9
150.03281	0.7
166.29276	0.7
178.23476	0.6
183.17601	1.2
185.80653	0.6
211.17033	1.1
213.26437	0.7
229.18100	33.5
301.18048	0.9
358.65237	0.7
373.22372	3.7
391.23444	39.8
523.27655	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2764
Annotation	Tyr Ile Val Glu
Peak:m/z	Relative Intensity
53.25207	0.6
54.82033	0.7
55.01897	0.9
56.63113	0.6
57.03453	1.4
59.01388	21.3
61.98823	1.0
66.82295	0.9
71.01384	16.1
72.99301	1.0
73.02958	6.1
78.37611	0.8
83.01385	4.5
83.01828	0.7
85.02950	7.8
87.00881	3.6
89.02454	1.6
92.12357	1.0
96.95959	0.8
99.00842	0.9
101.02427	6.8
113.02461	1.8
125.02468	0.9
132.14745	0.7
143.03571	1.0
169.15947	3.2
197.15486	3.0
215.16525	31.8
217.00287	1.3
302.60638	0.8
326.32385	0.8
351.72696	0.9
359.20972	4.5
377.21860	24.2
445.51242	0.8
523.27679	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	524.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09850	0.1
51.09685	0.1
55.08926	0.2
59.01389	1.2
61.98837	100.0
69.03441	0.2
71.01386	0.8
75.54257	0.1
81.03466	0.2
87.04559	0.2
89.02455	0.8
96.96032	0.7
102.03301	0.2
120.01254	1.3
123.04523	3.7
125.02450	1.5
133.24387	0.2
167.03502	12.9
188.91266	0.2
191.03511	1.7
209.04590	0.4
268.00720	0.2
368.68402	0.2
461.13019	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	525.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.2
59.01379	4.1
59.65201	0.8
71.01369	4.4
77.53898	0.9
80.49914	0.9
83.01402	1.3
89.02449	4.4
89.93351	0.8
91.01868	2.0
92.11733	2.1
93.03399	3.4
95.01339	1.0
95.05006	1.3
96.95989	3.8
97.02959	10.5
101.02343	1.4
108.02178	31.7
109.02930	2.1
111.00845	1.4
117.25854	0.9
120.05259	1.0
121.02934	10.4
122.03723	9.9
123.00845	1.2
123.04514	27.1
124.01625	1.1
125.02462	4.2
128.92505	0.8
134.03741	8.8
135.04453	1.0
137.02448	15.9
139.03973	2.3
148.01695	1.0
149.02437	25.7
149.06067	4.5
150.03220	72.7
151.03983	4.1
152.01154	70.9
161.02466	2.3
162.03201	1.3
163.03949	1.1
164.04802	3.8
165.01900	4.1
165.05560	73.7
166.02740	4.0
167.03491	100.0
178.02722	7.2
179.03375	1.2
180.04306	6.3
184.84683	0.9
193.05057	30.4
195.06667	29.4
202.06557	1.1
209.04515	4.7
220.07428	6.0
235.09734	1.7
243.06439	1.7
244.07562	4.2
256.07336	6.8
259.09674	2.1
271.09689	4.2
285.07840	1.1
293.08789	1.9
303.08734	33.7
303.12067	1.9
315.08746	13.2
363.10889	29.0
391.65839	1.2
465.13867	4.8
525.16083	16.7
526.16870	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14868	1.5
59.01385	49.5
61.98837	13.5
62.83388	1.7
64.34625	1.7
71.01402	17.8
73.02963	3.3
81.03463	28.0
83.04581	3.0
83.05034	68.2
84.05339	2.6
84.95159	1.8
85.02943	4.4
89.02444	15.3
95.01407	2.1
96.09931	2.0
100.07668	10.0
101.02441	14.4
103.97115	2.3
113.02440	4.6
119.03483	8.0
120.61063	1.9
121.02946	2.6
127.05094	2.1
128.03561	2.6
180.62093	2.0
199.18130	10.8
225.16153	3.9
243.17163	18.8
244.17523	2.7
254.07973	2.1
272.08972	2.5
273.14792	2.5
285.14865	2.9
293.08771	2.3
303.16071	10.9
343.59015	2.1
353.20853	4.7
456.97983	2.1
465.21100	31.8
469.34372	3.1
503.51175	2.1
524.35822	84.5
524.85992	100.0
525.36340	42.0
525.86340	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.6
55.90444	0.5
57.03452	0.9
58.00610	0.9
59.01392	46.6
61.98844	1.2
69.05254	0.6
69.43229	0.5
71.01390	26.6
72.99319	0.7
73.02945	3.2
75.00879	1.3
83.01395	0.7
83.71436	0.6
83.90093	0.6
85.02950	7.0
86.52129	0.5
87.00887	1.1
89.02443	30.8
93.03454	3.1
95.01402	2.7
95.05059	0.8
96.95979	0.6
99.00871	2.9
101.02436	15.3
111.82082	0.6
113.02455	9.9
116.92812	0.6
119.03493	11.5
121.02932	4.3
122.03741	12.3
123.04549	0.9
125.02478	0.8
125.25965	0.5
131.03537	1.9
133.02972	0.9
134.03734	3.6
135.04437	0.6
136.01669	0.9
137.02425	1.3
143.03520	2.5
149.01244	0.8
149.02448	25.6
149.04556	3.8
149.06084	2.7
150.03229	100.0
151.03702	0.9
161.04561	3.0
164.04797	5.2
165.05573	81.7
167.03575	1.0
170.11617	0.6
179.05629	6.6
180.04291	7.1
195.06641	31.0
205.03703	0.6
233.06516	0.8
237.79301	0.6
282.09012	3.2
297.11322	6.3
300.10056	0.8
303.08951	0.8
329.12512	1.1
335.27588	0.6
359.83759	0.7
381.70657	0.7
422.62769	0.7
433.75244	0.6
462.14108	0.8
477.17654	11.1
489.19861	20.8
525.17615	25.4
525.29382	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51781	0.7
55.01891	1.0
55.65118	0.9
57.03444	2.1
57.13198	0.7
58.00600	3.1
59.01384	100.0
71.01379	49.3
72.99287	3.7
73.02942	0.9
75.00866	0.8
83.01380	3.4
84.15592	0.8
85.02950	11.6
85.42435	0.8
87.00838	1.3
87.21436	0.8
89.02435	59.3
93.03468	3.5
95.01352	3.3
96.95994	1.5
99.00890	1.2
101.02435	29.8
110.39093	0.9
113.02447	19.6
113.49356	0.8
119.03483	21.7
121.02942	5.3
122.03722	9.4
123.04512	1.1
125.02439	1.0
131.03517	1.7
134.03729	6.6
136.01656	1.7
137.02441	4.2
140.39987	0.8
143.03503	4.1
149.02441	37.3
149.03577	1.4
149.04489	1.5
149.06035	4.3
150.03223	69.6
151.03955	0.9
161.04585	4.0
164.04774	5.7
165.05566	56.6
165.38106	0.8
179.05580	8.6
180.04283	4.0
195.06616	12.6
282.09015	10.3
297.11328	20.7
303.08765	3.8
329.12357	2.0
416.15634	1.0
465.19678	1.7
477.17734	18.7
525.19769	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	525.198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51781	0.7
55.01891	1.0
55.65118	0.9
57.03444	2.1
57.13198	0.7
58.00600	3.1
59.01384	100.0
71.01379	49.3
72.99287	3.7
73.02942	0.9
75.00866	0.8
83.01380	3.4
84.15592	0.8
85.02950	11.6
85.42435	0.8
87.00838	1.3
87.21436	0.8
89.02435	59.3
93.03468	3.5
95.01352	3.3
96.95994	1.5
99.00890	1.2
101.02435	29.8
110.39093	0.9
113.02447	19.6
113.49356	0.8
119.03483	21.7
121.02942	5.3
122.03722	9.4
123.04512	1.1
125.02439	1.0
131.03517	1.7
134.03729	6.6
136.01656	1.7
137.02441	4.2
140.39987	0.8
143.03503	4.1
149.02441	37.3
149.03577	1.4
149.04489	1.5
149.06035	4.3
150.03223	69.6
151.03955	0.9
161.04585	4.0
164.04774	5.7
165.05566	56.6
165.38106	0.8
179.05580	8.6
180.04283	4.0
195.06616	12.6
282.09015	10.3
297.11328	20.7
303.08765	3.8
329.12357	2.0
416.15634	1.0
465.19678	1.7
477.17734	18.7
525.19769	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	525.2116
Annotation	7beta,8beta-Epoxyroridin H
Peak:m/z	Relative Intensity
59.01390	100.0
61.67278	3.5
61.98825	25.7
64.33818	3.4
71.01378	27.8
72.03771	3.2
75.00870	7.0
79.12002	3.3
83.59665	3.0
85.02928	5.7
89.01945	3.4
89.02441	28.3
95.01366	5.7
99.00848	4.7
101.02428	18.2
113.02396	4.3
123.00845	7.3
124.01635	35.5
128.49132	3.6
139.04034	6.2
161.04572	4.6
168.00659	45.5
183.02998	64.4
243.78656	4.1
273.15091	7.9
301.14444	6.7
303.16003	47.0
455.46344	4.0
464.33081	4.1
465.21237	6.3
465.34354	21.3
489.23434	60.3
525.21362	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2347
Annotation	Taxumairol C
Peak:m/z	Relative Intensity
55.01875	0.4
57.03447	0.6
58.00599	0.7
59.01392	58.9
66.92972	0.3
71.01388	21.4
72.99297	1.7
73.02938	1.4
83.01405	1.2
83.04991	0.3
85.02957	4.4
87.00888	0.8
89.02445	23.4
95.01366	1.4
96.17207	0.3
97.59544	0.3
101.02438	15.6
113.02452	8.5
119.03484	11.1
131.03500	0.5
144.70694	0.3
149.04517	0.4
161.04614	0.5
171.08157	0.5
179.05653	2.3
199.07680	0.4
211.11484	0.3
213.12863	8.0
239.10683	0.4
241.15968	0.4
243.13850	1.4
255.13899	2.3
257.15451	0.4
271.13284	0.5
273.14972	8.8
274.56299	0.3
285.14999	9.2
303.16003	13.4
358.57578	0.3
465.21326	100.0
466.21558	0.6
510.14404	0.4
525.21417	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.6
65.03970	0.5
71.01368	0.3
73.02943	0.1
83.01358	0.1
85.02972	0.2
89.02426	0.2
92.65028	0.1
93.03450	70.2
94.03750	0.1
101.02420	0.6
109.02921	0.1
113.02428	0.2
121.02896	0.2
122.03802	0.2
123.04014	0.1
124.26801	0.1
137.02443	100.0
138.02792	0.2
165.05589	0.5
167.06238	0.1
170.24423	0.1
179.07156	0.2
287.24429	0.1
319.17624	0.2
361.16458	0.2
362.16956	0.8
363.17145	0.8
424.06778	0.2
429.99918	0.1
486.59995	0.1
525.25250	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	526.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06539	0.4
59.01385	3.0
61.02942	0.6
64.34901	0.5
64.71320	0.5
65.41971	0.4
65.56917	0.5
71.01383	25.7
72.99310	6.0
74.42764	0.4
76.30260	0.5
78.10259	0.5
82.95398	0.9
87.00893	1.1
87.04499	0.8
88.04017	3.1
89.02440	5.2
96.95983	2.1
101.02529	0.5
101.11296	0.5
108.46896	0.5
111.00874	2.0
115.00359	65.2
116.00646	0.6
116.92856	0.7
132.03024	5.5
132.86815	0.9
132.94696	0.8
133.01418	100.0
133.05022	4.1
225.66479	0.5
248.34790	0.6
310.24701	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96902	0.4
56.55242	0.4
56.75067	0.3
57.03443	0.4
58.00588	0.8
59.01384	52.7
59.83189	0.3
64.40189	0.3
71.01376	23.5
71.05009	2.1
72.99284	0.8
73.02949	0.8
74.63022	0.4
78.95892	0.9
79.72455	0.4
83.01379	1.8
85.02939	6.0
87.00894	0.8
89.02434	31.8
95.01373	2.5
99.04510	9.9
101.02431	19.9
107.05016	0.5
111.15942	0.4
113.01681	0.7
113.02437	9.6
115.08759	7.7
115.35539	0.5
116.07150	0.9
116.92870	1.0
117.05566	12.3
119.03486	13.3
119.04998	2.6
131.03488	0.8
143.03505	1.0
145.27174	0.4
149.04503	0.6
161.04568	0.8
163.04012	1.6
168.00610	0.4
173.09372	0.8
179.05641	1.8
180.06612	0.8
235.14638	0.9
279.10858	100.0
279.13580	14.9
279.23303	2.0
280.08478	0.5
337.83182	0.5
373.83951	0.5
487.37506	0.5
507.30179	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.8
59.73899	0.3
71.01380	0.9
72.93108	0.4
85.02925	0.4
92.12344	0.5
98.14630	0.4
128.07233	0.7
139.47821	0.4
159.28491	0.5
167.39215	0.4
175.43663	0.5
194.70311	0.4
194.72258	0.4
209.32861	0.4
278.51938	0.4
279.23300	100.0
280.23669	1.8
337.21790	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	526.354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56200	0.2
60.99014	0.2
61.98837	0.3
71.68592	0.2
82.45796	0.2
92.30795	0.2
97.06548	0.2
153.09163	0.3
189.72523	0.2
208.67320	0.3
367.60489	0.3
379.50220	0.2
430.59100	0.2
453.33795	100.0
454.34262	3.2
527.26746	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2117
Annotation	Dutasteride
Peak:m/z	Relative Intensity
55.91153	0.7
57.03439	3.7
59.01384	10.9
61.58339	0.8
61.77199	0.8
61.98827	1.2
71.01375	16.0
71.04964	1.2
73.02934	1.6
77.05752	0.8
77.34239	0.9
78.88479	0.8
83.01382	2.0
85.02945	10.6
87.00865	1.6
92.65392	0.8
96.95962	1.6
97.02932	1.0
101.02403	4.8
105.01918	1.6
111.00800	0.9
113.01835	1.0
113.02455	17.6
113.93863	0.8
125.02440	4.9
130.65955	0.9
131.99698	1.0
178.69154	1.0
181.12340	4.1
190.44234	1.0
191.10568	2.1
199.13377	8.5
219.10036	100.0
220.32513	0.9
221.11603	69.5
222.12131	1.3
233.11565	1.9
241.14484	1.0
263.12665	9.9
265.10553	19.3
317.13785	1.7
343.17657	19.0
360.08228	1.1
361.18652	5.2
365.15826	18.9
383.11960	2.1
383.16882	55.1
384.17041	1.1
425.18085	9.4
465.21179	1.4
467.19122	3.7
483.22034	1.8
527.21112	64.9
528.21332	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	527.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03482	0.4
59.01386	100.0
61.71413	0.4
61.98834	0.7
67.93225	0.3
71.01383	1.0
74.99380	0.5
76.57674	0.4
79.59307	0.5
89.02469	0.8
91.03606	0.4
96.96016	1.9
100.91861	0.4
101.02433	1.4
107.02279	0.5
115.95882	0.4
141.01704	47.9
141.06679	0.5
145.06285	0.6
150.03275	1.0
153.01982	1.7
165.05562	0.8
195.06714	0.5
205.12302	3.1
261.14880	0.4
305.13757	0.6
365.12115	0.6
407.16077	2.8
416.94626	0.5
467.18585	2.2
467.32532	0.7
489.20084	0.7
511.20642	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43018	0.6
59.01382	1.0
59.30252	0.7
64.40450	0.7
79.79428	0.7
80.76958	0.7
80.82746	0.7
81.61473	0.8
84.95139	1.0
112.63972	0.7
137.36740	0.7
152.99626	1.2
217.93489	0.7
249.35361	0.7
296.79950	0.8
383.26724	0.8
453.33786	100.0
455.35394	30.0
467.31567	1.0
473.36371	16.3
499.34299	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	527.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70031	10.9
59.01373	60.4
59.01710	12.3
78.06519	14.7
84.95089	12.9
116.92828	100.0
143.77464	17.7
214.06281	16.7
217.42297	14.5
255.23154	17.0
453.33673	97.0
455.35498	27.2
473.35968	16.7
475.07285	16.9
538.17462	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	527.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27689	0.3
59.01380	0.5
78.95910	0.5
84.95123	0.8
85.88246	0.4
97.36449	0.3
152.99544	0.5
153.09279	0.5
311.90155	0.4
416.38672	0.4
423.29266	0.5
451.32068	0.7
453.33801	100.0
454.34061	1.4
455.35336	33.9
456.35760	0.6
467.31857	1.6
473.29648	0.4
473.36398	20.5
499.34393	21.3
499.41898	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41562	0.1
59.01394	0.4
60.99314	0.1
67.59640	0.1
68.15329	0.1
72.99307	1.5
73.02958	0.1
75.00871	100.0
92.11746	0.3
145.11215	0.1
180.03973	0.1
182.20012	0.2
223.65973	0.2
240.22549	0.2
451.33124	1.0
527.25482	0.2
527.34491	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	15.9
59.20292	1.6
60.86195	1.4
62.68521	1.7
71.01369	9.6
74.00123	1.5
76.43598	1.8
89.02438	9.1
101.02448	3.1
112.02269	25.0
113.02623	1.9
130.08722	2.4
133.01456	2.2
139.05090	3.1
140.28481	1.8
142.03323	37.1
143.03650	16.0
143.07169	8.3
143.11911	2.9
145.06219	8.7
147.04559	4.0
164.07184	8.2
165.07478	1.9
167.08229	4.2
187.06175	1.9
187.10883	17.7
279.10654	1.9
281.11285	3.1
281.24878	2.6
282.04413	3.3
282.07510	100.0
282.14566	9.8
282.25256	2.1
341.10995	7.2
342.11130	3.2
406.26212	1.8
558.50311	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92730	0.6
53.27304	0.5
54.82596	0.7
55.01871	3.6
57.03445	3.0
58.13693	0.6
59.01108	1.0
59.01385	25.9
59.01683	1.1
60.05363	0.7
61.98827	3.4
71.00982	1.1
71.01376	26.4
73.02933	11.6
79.21281	0.6
83.01377	5.4
84.12660	0.8
85.02941	14.3
87.00877	1.4
89.01948	0.9
89.02435	12.7
95.01363	1.1
97.02964	1.4
99.00867	4.3
101.02433	21.2
113.02431	8.2
115.26830	0.8
117.69910	0.7
119.03461	1.4
125.02420	0.7
144.00993	0.7
161.04567	1.6
189.83096	0.8
353.19641	1.0
374.62213	0.8
493.24118	3.7
493.30533	1.3
503.08243	0.9
508.41174	0.7
529.22906	100.0
530.23340	3.6
547.35651	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64021	0.3
53.73920	0.3
54.82745	0.4
58.02964	2.3
59.01384	0.7
60.76165	0.3
61.98822	2.7
71.01374	0.7
73.04067	0.9
74.02467	4.3
82.02974	5.6
84.04523	1.9
87.05643	7.8
88.04016	4.0
89.02427	0.7
94.06554	0.4
96.95997	6.7
96.96922	0.7
99.05603	0.5
100.07676	0.4
101.07181	7.5
109.04075	0.9
110.02457	3.7
111.05643	0.6
112.04024	2.6
112.07632	0.5
114.01965	0.5
114.38986	0.5
116.07162	13.8
125.07150	0.6
126.05788	0.7
126.06700	4.7
127.05120	2.9
127.08768	4.7
128.03528	100.0
129.06700	9.0
129.10304	0.9
130.05104	1.6
130.08759	1.5
134.48640	0.4
137.07077	0.6
138.05609	1.7
139.75563	0.4
141.06606	0.4
143.04622	0.6
143.08266	0.6
144.07773	8.7
145.06190	0.7
146.04584	0.5
146.66772	0.5
148.01622	0.5
154.09865	2.1
155.08267	2.5
157.13469	3.9
166.08759	1.7
168.07811	2.5
169.06169	0.5
171.01166	0.5
172.10947	0.9
176.01152	8.9
181.09810	0.5
183.11388	26.9
186.08823	3.1
187.07251	10.6
191.03528	6.7
196.10941	1.0
197.10507	1.0
198.08821	0.7
199.07228	5.7
200.14050	1.7
201.12300	0.5
205.98642	0.6
206.99371	6.4
222.01738	5.0
227.10393	23.9
228.17166	2.4
237.04050	2.7
239.11523	0.7
254.15210	0.7
258.10995	2.1
311.11246	0.6
369.14554	1.4
399.18945	0.5
413.16678	0.8
468.21378	0.7
486.22141	30.4
512.23694	2.4
530.24744	46.7
531.13354	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59378	0.1
59.01379	0.3
61.98824	1.6
70.07394	0.2
77.05389	0.2
78.47771	0.2
78.95912	17.2
92.11653	0.4
93.99345	0.2
96.96014	0.4
96.96954	0.3
97.42376	0.2
122.98533	0.4
152.99597	1.9
168.04321	3.0
204.93289	0.2
224.06981	8.0
224.67326	0.2
237.22157	0.3
242.07983	1.3
245.40938	0.2
255.23323	100.0
256.23624	0.9
480.30997	53.8
481.31375	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69531	0.1
54.05934	0.1
54.97695	0.1
59.01382	0.2
62.71510	0.1
72.33416	0.1
78.95900	15.0
79.95730	1.4
92.12423	0.2
96.95999	100.0
96.96943	26.3
101.67150	0.1
113.53802	0.1
117.42455	0.1
120.27744	0.1
127.07652	0.3
128.26645	0.1
129.05591	0.2
140.00133	0.1
175.49538	0.1
189.07762	1.4
246.61212	0.1
368.09958	0.2
525.97443	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	531.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96716	4.0
57.41485	3.8
59.01389	69.1
61.98823	5.1
68.99584	5.9
71.01379	33.2
73.02959	6.7
73.11745	4.3
83.01395	6.2
85.02932	7.2
89.02433	21.4
96.96017	10.5
101.02441	9.6
112.98509	10.6
113.02423	9.1
150.70294	4.8
154.21771	4.8
188.38585	5.0
199.64415	4.7
208.71352	5.7
453.46844	5.3
457.23126	5.6
487.30740	68.0
531.23151	94.4
531.28717	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06914	2.6
53.99532	2.5
59.01393	49.2
61.98834	8.4
65.08118	2.9
66.03488	3.6
67.23861	3.0
71.01385	26.9
73.02932	17.1
78.37090	3.2
79.72880	3.2
85.02936	14.2
88.69846	3.2
89.02426	15.8
89.39887	3.2
96.96017	5.2
101.02431	18.5
102.45293	3.2
113.02441	13.5
119.03490	6.3
122.09725	5.0
127.05151	6.5
128.03503	5.7
130.08717	66.4
152.86650	3.1
163.61276	3.3
166.08730	44.0
183.11417	5.4
185.16553	6.6
189.07132	5.2
197.12967	5.7
209.09315	7.9
227.10291	5.5
229.15521	4.1
289.21399	4.8
296.19955	6.2
340.18753	35.9
531.27240	100.0
531.82568	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	531.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82385	2.6
59.01389	37.7
59.37195	3.0
59.76706	2.8
61.98838	13.7
63.55536	3.1
64.17556	3.1
71.01380	17.5
71.95213	3.4
73.02960	4.9
85.02944	7.4
89.02451	15.6
92.09898	3.0
96.96044	7.1
97.34075	3.0
99.05674	3.8
101.02447	13.6
119.03501	3.6
122.09822	3.3
127.05118	7.1
128.03575	4.4
130.08711	54.5
146.22415	3.1
150.88342	3.1
150.90877	4.6
166.08739	41.2
185.16592	13.3
190.30035	3.7
193.28645	3.4
209.09375	7.3
227.10463	5.8
240.72670	4.1
245.22719	3.5
266.13760	3.1
296.19702	7.4
340.18784	24.3
360.69147	3.5
369.41037	3.5
371.88718	3.6
383.24689	3.1
531.25116	100.0
532.25079	3.9
546.85504	4.0
551.23682	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.318
Annotation	L-olivosyl-erythronolide B
Peak:m/z	Relative Intensity
54.86581	0.6
55.01888	1.1
55.32274	0.6
57.03447	3.4
59.01107	0.8
59.01387	15.7
61.98836	0.9
69.03439	0.8
71.01386	20.0
72.99290	4.6
73.02982	0.6
75.00874	13.7
75.53458	0.7
77.42187	0.6
77.44382	0.6
78.95903	1.4
85.02948	19.5
87.00874	7.2
89.02436	5.9
95.01376	5.6
99.00886	8.4
103.00346	2.7
113.02451	28.6
117.01930	1.6
129.01953	1.4
152.99515	1.2
175.02502	1.7
190.24107	0.8
196.48747	0.7
205.07124	1.3
249.06171	5.2
264.96744	0.7
267.07275	5.6
281.24875	100.0
282.25201	1.6
293.00858	0.8
449.26843	5.9
513.30737	0.9
531.31812	94.8
532.32025	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	531.3698
Annotation	Pouogenin A
Peak:m/z	Relative Intensity
51.19535	0.2
53.41942	0.2
53.99110	0.2
53.99373	0.2
59.01382	1.1
61.98824	0.4
78.95899	13.7
79.25339	0.2
79.54731	0.2
79.95747	0.2
96.96001	16.7
96.96972	0.9
116.92863	0.5
117.92848	0.3
127.21962	0.2
150.98065	0.3
152.98338	0.5
152.99583	16.1
153.09183	0.3
158.86858	0.3
171.00630	0.3
178.90610	0.4
181.49051	0.2
194.90028	3.5
273.89343	0.3
279.23361	0.5
433.23703	5.2
434.23825	0.3
471.34839	100.0
472.35306	3.7
486.85028	0.3
531.30261	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	533.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	6.6
59.01382	1.6
66.77497	0.3
67.01895	2.2
67.42376	0.3
71.01399	0.5
83.01366	0.3
85.02559	0.7
85.02950	28.1
87.00872	43.1
89.02444	0.5
101.02444	1.2
102.75883	0.4
111.00881	100.0
112.01225	0.4
125.30317	0.3
129.01936	5.7
130.99867	1.5
154.99876	0.6
173.00891	4.6
188.97292	0.3
191.01982	81.7
192.02345	0.4
203.08437	0.3
280.65918	0.3
341.10828	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90695	0.4
59.01386	0.7
71.01384	0.6
89.02404	0.5
96.96024	0.5
121.02940	2.6
134.03740	0.7
143.37270	0.4
145.03000	1.1
147.04416	0.6
160.05307	0.6
183.66315	0.6
192.04320	0.7
193.05063	0.8
195.08218	1.0
205.06731	0.5
206.07481	0.7
207.08241	3.4
209.06007	1.5
211.07744	1.9
221.06116	2.7
223.07617	5.5
224.04913	0.6
225.05637	1.8
233.06134	0.8
234.06857	0.9
235.07553	4.5
237.05586	1.8
237.09219	0.5
238.06537	0.8
238.10039	0.5
239.07201	8.1
248.04837	0.8
249.05632	6.0
250.06355	3.1
251.07166	23.2
251.09802	0.8
252.07680	1.0
261.05798	0.8
262.06479	4.1
263.07153	11.8
264.07916	4.9
265.05179	1.0
265.08615	2.0
266.05930	3.2
267.06656	39.5
277.05197	1.1
277.08344	1.5
278.06003	1.5
278.09418	1.1
279.03592	1.1
279.06662	34.0
280.07184	0.7
281.08231	3.2
281.54443	0.5
282.09015	19.9
288.93857	0.6
293.04669	0.6
293.08255	2.7
294.05386	9.8
294.09024	12.0
295.06183	13.9
297.11258	6.9
303.12555	0.7
306.05450	0.7
307.06232	8.3
308.07007	2.9
309.07758	11.9
309.11298	0.6
310.08487	5.6
311.05780	4.4
321.07617	2.3
322.08533	11.1
323.05664	34.2
323.09119	2.0
326.08011	14.3
337.07281	3.1
338.08038	29.1
341.10349	66.9
342.10724	0.8
353.10358	100.0
354.10571	0.8
371.11331	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1674
Annotation	LMPK12111723
Peak:m/z	Relative Intensity
52.88677	1.0
53.24935	1.0
58.37781	1.1
59.01383	16.5
61.98833	11.3
70.22758	1.1
71.01385	10.4
79.19411	1.1
85.02943	1.6
87.00865	1.5
89.02445	3.0
96.96013	2.4
97.95558	1.3
101.02407	2.3
116.92848	2.1
119.05021	1.7
121.02953	12.8
134.03734	1.7
135.04422	1.2
145.02931	4.7
147.04584	8.9
148.05304	10.1
160.05266	1.6
161.06108	1.9
162.03253	1.6
164.04861	1.6
166.68546	1.4
176.04819	2.1
191.03535	14.6
191.07181	14.8
192.04321	2.5
197.06094	1.6
209.06082	3.1
211.07614	2.8
219.08139	1.4
220.03735	5.6
221.06201	5.7
222.06897	3.1
223.07742	5.4
225.15913	1.5
227.19887	1.4
235.05856	1.8
235.07874	2.7
237.05527	7.3
238.04791	6.3
239.07112	14.0
248.04694	1.5
249.05637	8.2
250.06424	3.2
251.07172	29.9
252.08067	2.4
253.08638	1.9
261.05710	2.3
262.06390	2.7
263.07178	13.2
264.04272	1.3
264.07822	6.4
265.04987	5.3
265.08621	5.3
266.05884	20.7
267.06659	61.5
268.07425	1.6
277.05066	5.7
278.05835	3.1
279.06668	41.3
279.09695	2.8
280.07114	1.6
281.08179	16.7
282.06070	2.4
282.09003	32.1
293.08350	6.0
294.05386	30.1
294.09006	13.8
295.06152	13.9
296.10590	1.9
297.08423	1.4
297.11307	11.3
307.06161	7.5
308.06866	2.7
309.07739	39.6
309.11050	1.6
310.05035	2.2
310.08578	5.3
311.05652	6.4
321.07764	5.2
322.08478	10.2
323.05658	29.2
323.09195	3.7
325.07230	12.4
326.07962	18.2
327.08771	1.7
327.12494	1.9
337.07196	2.1
338.08035	55.3
340.09579	5.8
341.10330	81.3
353.10342	100.0
371.11414	96.0
407.36667	1.2
411.72293	1.4
470.32358	2.1
497.33752	1.8
533.16547	31.5
533.22998	2.2
533.29675	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	533.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	1.0
57.03458	1.6
58.00602	1.0
59.01392	73.9
67.41470	0.8
69.03463	8.7
71.01384	70.5
71.27504	0.7
72.99310	1.4
73.02946	10.5
75.00883	3.0
81.03450	5.5
83.01391	4.8
85.02956	8.0
86.00045	0.8
86.96250	0.7
87.00867	2.9
89.02441	95.5
95.01392	1.9
96.96000	0.9
97.02938	14.3
99.00872	15.3
99.04516	2.7
100.33366	0.7
101.02425	14.4
103.92121	0.8
104.22911	0.7
109.02976	1.5
111.00877	3.3
113.02453	4.9
115.04002	8.0
119.03522	1.6
121.02979	1.8
125.02439	42.2
127.03998	0.7
131.03499	7.9
135.04567	2.8
143.03493	4.7
145.02957	1.3
146.03743	89.9
147.04472	4.1
149.04550	15.3
161.06073	25.5
161.07396	1.1
163.04042	3.2
164.04788	63.5
165.01947	3.5
166.02762	1.1
175.04080	3.3
179.07143	66.6
181.04965	0.8
191.05656	7.3
193.05037	1.2
195.06610	1.2
208.07475	1.3
218.05908	1.8
223.09735	1.3
233.06584	33.1
243.12428	2.7
254.65645	0.9
289.07080	2.8
293.08801	100.0
294.09369	1.4
311.82874	0.7
429.99686	0.9
456.37936	0.9
509.17032	0.9
533.19250	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	533.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01911	0.6
52.51866	0.2
53.29512	0.3
56.25130	0.3
59.01380	1.8
70.02982	1.3
71.02505	2.7
72.00914	3.1
73.02941	0.4
74.02476	5.8
81.02213	0.3
82.02982	27.9
83.44390	0.3
85.04073	1.7
89.02452	0.5
91.05532	2.5
93.03454	6.5
95.02510	0.4
98.01212	0.4
99.01994	2.1
107.05033	2.4
108.00939	3.6
111.02003	0.5
111.05649	0.5
113.07211	37.6
114.05653	0.3
116.05056	3.4
118.06608	0.5
119.05021	20.9
125.03548	2.3
126.01997	0.6
131.04988	1.2
133.05321	2.7
134.06125	12.3
136.07687	2.1
139.05136	43.4
142.05162	0.5
146.06125	35.9
151.05135	1.3
160.07674	5.5
162.05629	2.6
163.04008	15.1
163.08749	0.7
164.07132	0.4
170.09450	0.6
177.03043	0.6
179.08260	11.0
180.06670	55.5
183.10152	0.8
186.05595	0.6
189.06735	3.6
191.08238	5.0
199.12524	0.5
205.06206	17.6
218.06972	0.7
221.09479	0.6
222.08914	2.5
223.11203	0.5
225.10391	0.7
243.11411	12.3
245.09181	0.3
261.12573	0.5
264.10269	0.5
265.13550	0.6
266.11887	67.8
267.12369	0.4
269.09351	1.2
274.15625	1.4
302.21188	0.4
308.13824	2.5
309.12698	0.4
310.10837	0.8
318.14432	3.5
327.13535	26.9
352.12988	3.8
353.11407	0.6
359.92297	0.4
380.19699	2.4
406.18057	0.6
424.18839	65.0
450.16864	5.3
489.21689	0.8
515.19794	0.4
533.20496	100.0
534.20679	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	533.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.9
57.03192	1.5
57.03458	33.2
59.01114	1.2
59.01388	31.0
61.98824	2.0
69.03472	1.4
71.01379	18.4
71.93994	1.1
73.02945	5.2
83.01365	2.2
85.02950	8.1
89.02451	5.1
95.01386	1.5
99.04523	2.7
101.02441	12.5
111.60224	1.0
113.02426	4.8
125.02441	4.3
130.24100	1.2
217.00270	1.8
227.16605	11.7
247.62959	1.1
257.04330	1.2
295.81982	1.3
371.20715	7.1
389.21863	100.0
428.36447	1.3
431.22879	42.8
447.04837	1.5
471.25958	9.3
497.27823	1.3
533.25775	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	533.3127
Annotation	Myrianthine A
Peak:m/z	Relative Intensity
57.03447	1.6
57.04772	0.2
57.69188	0.2
59.01380	2.0
59.56609	0.3
61.98843	0.4
72.99298	0.7
74.07511	0.3
84.62804	0.3
98.46123	0.3
101.02438	0.3
110.11938	0.3
111.28058	0.3
178.55869	0.3
217.00374	1.2
337.33459	0.4
341.24930	1.8
342.28519	0.3
369.27917	0.4
374.99023	0.4
385.23337	0.4
385.28015	2.7
429.26566	0.7
443.31671	3.0
471.31387	0.7
487.30539	4.6
489.32513	1.3
515.30261	2.5
533.31268	100.0
534.31586	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	534.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
62.60109	0.5
68.92439	0.4
71.01385	4.9
73.88665	0.4
85.22560	0.4
85.84653	0.5
87.35545	0.5
88.98815	2.2
89.02443	8.2
91.08593	0.5
92.66727	0.6
96.96034	2.2
97.02948	0.6
99.00892	1.1
101.02441	1.8
102.98987	0.4
103.58836	0.5
103.92054	0.7
107.55791	0.4
108.28971	0.5
117.00451	0.6
125.02458	1.2
141.01707	42.0
149.04543	0.7
161.04599	1.9
171.94690	1.2
183.01546	0.6
203.91905	0.5
213.03891	1.0
293.09052	2.4
314.00980	0.7
342.10544	2.1
392.15717	12.9
474.14795	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	535.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82823	0.6
57.03452	0.7
58.00604	0.6
59.01156	0.5
59.01391	8.0
59.56347	0.5
59.73337	0.5
61.98823	1.0
71.01379	4.3
73.02949	2.5
83.01382	0.9
85.02936	1.1
87.00877	3.0
87.04512	2.5
89.02451	1.1
97.02937	0.7
101.02396	1.4
104.02676	7.3
113.02455	0.8
134.03712	4.4
135.08043	0.7
135.36296	0.6
137.02409	0.9
137.09695	1.5
142.15984	0.7
143.22650	0.7
148.01678	13.7
149.06172	0.6
152.43552	0.5
155.10767	11.5
176.01158	100.0
177.01483	1.0
178.02750	3.6
179.10794	0.8
181.08627	0.8
191.03514	67.0
191.10721	0.8
193.05124	4.7
199.09810	10.3
227.16484	0.8
241.10803	3.1
245.40933	0.6
283.11804	4.8
343.13974	3.6
389.21710	1.5
412.30035	0.7
535.27441	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.5
55.68025	0.4
57.45401	0.4
59.01389	10.5
61.98820	0.6
67.70258	0.4
68.82616	0.4
71.01387	4.8
71.03819	0.4
82.95425	9.2
83.01413	0.5
85.02966	2.0
89.02442	5.4
92.12302	0.6
95.33252	0.4
101.01842	0.4
101.02451	3.6
108.02176	7.9
109.02956	9.2
113.02463	1.8
115.05518	0.6
119.03519	0.8
119.04999	0.7
121.02944	7.0
122.03754	1.9
123.00909	0.9
123.04538	5.2
124.01723	0.6
125.16029	0.5
129.03461	1.1
131.05022	0.6
134.03752	6.0
135.04504	1.1
136.05316	2.0
137.02463	1.1
138.03238	1.1
143.05049	0.8
145.02925	0.9
146.03743	7.8
147.04527	73.5
148.05324	5.2
149.02467	3.7
149.06097	3.3
150.03226	6.5
151.04016	0.8
156.20927	0.5
158.03719	8.7
159.04515	27.0
160.05299	41.3
161.06076	14.6
162.06862	0.9
163.04010	6.2
164.04790	20.2
166.02744	0.9
168.04326	0.6
173.06067	7.3
174.06880	0.5
175.07646	37.3
177.05563	10.0
178.02731	3.1
178.06343	10.1
178.62921	0.6
181.05121	3.2
191.07219	0.8
192.07953	2.0
193.05074	10.4
193.08728	4.6
223.07648	0.7
224.08534	0.6
239.07135	0.8
240.07899	0.9
251.07182	1.1
252.07941	6.3
254.98923	0.5
267.06601	6.6
268.07431	39.2
269.08011	1.1
281.08118	0.6
282.09048	2.2
283.09784	46.2
284.10526	4.1
297.11337	4.6
298.12131	18.5
299.12933	8.8
300.17172	0.6
314.11588	1.0
329.13980	100.0
330.14392	2.3
343.11841	1.0
355.11850	1.7
373.12943	27.6
403.56677	0.5
535.18219	62.4
536.18481	1.0
541.08728	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82621	0.2
55.01685	0.1
55.01889	1.9
57.03451	1.9
58.00590	0.8
59.01388	17.3
63.61152	0.1
67.28244	0.1
68.99812	0.2
69.03469	1.2
71.01383	14.8
71.05013	0.2
72.99306	1.5
73.02949	5.6
81.03436	0.2
83.01388	4.2
83.05029	0.2
84.02174	0.2
85.02953	6.7
86.00090	0.9
87.00879	2.9
87.04482	0.3
89.02449	2.5
95.01361	0.8
97.02934	1.0
99.00883	1.2
99.04502	0.2
101.02439	7.3
103.03982	0.6
104.32074	0.2
104.91142	0.1
109.02976	0.2
111.00873	0.3
112.01651	0.2
113.02447	2.7
115.04014	0.3
119.03482	0.8
124.01649	1.2
125.02437	1.8
127.03917	0.2
131.03490	0.7
139.22559	0.1
141.01950	0.3
143.03496	0.8
145.05055	0.2
163.75807	0.2
181.16014	1.5
209.15501	1.0
227.16550	15.6
239.16585	0.2
269.17773	0.2
366.03867	0.2
371.20761	4.6
389.21869	18.9
390.22137	0.2
426.38745	0.2
431.23096	0.2
517.26782	2.2
535.27673	100.0
536.28107	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	535.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15435	0.2
51.79407	0.3
54.82343	0.2
55.01896	1.9
57.03449	1.7
58.00592	0.6
59.01394	20.1
59.31630	0.2
63.79454	0.2
64.71672	0.2
68.08229	0.3
68.99798	0.3
69.03453	1.3
71.01386	12.9
71.05006	1.2
72.99292	1.5
73.02948	7.7
81.03456	0.3
83.01391	4.7
85.02956	7.6
86.00093	0.6
87.00867	2.8
87.04511	0.4
89.02424	2.7
95.01385	1.0
97.02943	0.6
99.00852	1.7
101.02437	9.9
103.04022	0.6
108.95518	0.3
113.02441	3.1
115.04009	1.1
119.03462	0.5
124.01637	0.3
125.02417	1.4
131.03473	0.3
139.11397	0.3
143.03493	1.3
176.01276	0.3
181.15964	0.6
195.17464	0.3
209.15480	0.6
227.16539	8.7
241.18018	0.3
294.79501	0.3
371.20770	2.4
389.21869	16.5
430.92200	0.3
517.26318	1.3
535.27649	100.0
536.28088	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	535.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
57.03454	26.4
59.01112	0.9
59.01384	17.5
61.98840	1.0
71.01379	12.9
71.05004	0.5
72.99312	0.6
73.02942	2.8
78.95887	0.5
83.01368	3.2
85.02938	6.3
87.00862	3.1
89.02420	2.6
95.01370	0.9
99.00859	0.8
99.04495	2.4
101.02433	8.6
108.97669	0.4
112.85981	0.5
113.02429	2.5
124.01650	2.1
125.02400	2.1
139.03992	0.8
141.05656	0.5
157.87585	0.5
183.17570	1.0
210.61072	0.5
211.17082	2.1
229.18108	29.3
243.19656	0.6
258.29071	0.5
286.07950	0.5
373.16708	2.3
373.22342	10.7
391.23419	100.0
392.23740	0.8
433.24445	33.2
434.34467	0.6
473.27515	8.7
535.27618	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06602	0.1
59.01375	0.3
60.14024	0.1
66.82201	0.1
66.95931	1.2
71.01377	0.1
76.57805	0.1
77.11261	0.1
78.67900	0.1
80.91689	0.2
82.95410	100.0
89.02426	0.1
111.22533	0.1
161.06059	0.2
191.03510	0.2
329.13785	1.1
355.11871	0.2
365.47775	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	535.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97053	0.1
58.21737	0.1
72.20716	0.1
78.95898	3.2
79.95283	0.2
79.95728	5.6
86.68560	0.1
88.44852	0.1
93.19588	0.1
95.95226	2.3
96.57475	0.1
96.95997	8.7
100.41819	0.1
109.96777	0.2
123.23222	0.2
150.49789	0.2
151.00699	0.2
152.99521	0.3
178.88434	0.6
179.89204	0.6
180.90018	1.2
181.60654	0.2
196.89481	14.4
197.89565	0.6
208.97621	0.1
217.71266	0.2
219.07025	0.9
323.13187	1.7
338.15771	0.3
349.14804	3.3
363.16147	0.5
364.17288	2.4
365.17941	4.4
378.71112	0.1
379.19626	1.3
393.21133	0.3
409.16550	0.3
437.34421	0.8
461.27396	1.4
475.28922	16.1
491.32056	3.0
505.26282	0.3
535.31036	100.0
536.17719	0.2
536.31329	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79996	0.2
55.18954	0.2
59.01381	0.4
61.98829	1.1
78.52331	0.2
92.11703	0.9
138.12289	0.2
144.77461	0.2
153.09209	0.5
155.57042	0.2
161.16362	0.2
188.95844	0.2
214.19669	0.2
343.53500	0.2
391.30124	0.3
393.31430	0.3
453.33783	100.0
454.34073	2.8
513.43719	0.2
535.34094	59.4
536.34338	2.3
554.05988	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06699	0.3
53.77443	0.3
55.01884	1.8
57.03474	0.7
58.00599	3.6
59.01387	79.2
60.01723	0.4
61.98854	0.3
69.03455	9.8
71.01382	73.3
72.99315	2.4
73.02950	12.2
75.00868	3.8
81.03453	6.2
83.01383	6.2
85.02946	10.3
87.00887	3.0
89.02440	100.0
95.01381	2.3
96.23562	0.3
97.02942	15.1
97.03542	0.7
99.00873	17.2
99.04495	3.0
101.02435	14.1
109.02917	0.8
110.00092	0.6
111.00875	1.7
113.02455	7.5
113.06090	1.7
113.06938	0.3
114.65161	0.4
115.04004	11.2
119.03532	1.7
119.11380	0.4
123.00881	0.4
125.02436	45.5
127.03999	2.0
131.03493	8.4
131.07167	0.5
137.99643	0.7
143.03506	3.8
149.04558	14.7
153.01938	38.1
154.02802	0.6
155.03430	0.5
157.05095	1.9
161.04526	1.3
167.64571	0.4
168.04276	29.2
173.04520	0.8
175.06117	0.5
176.35625	0.4
183.06566	4.1
187.21417	0.4
191.05629	7.8
215.05779	0.5
227.98071	0.4
233.06671	33.4
266.25742	0.4
275.08136	0.4
293.08820	92.6
294.09210	0.7
298.21356	0.4
371.31500	0.4
393.77463	0.4
406.46286	0.4
438.28482	0.4
477.16458	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.6
57.03448	3.7
58.00591	4.0
59.01387	100.0
61.82363	0.7
61.98816	0.7
71.00984	1.9
71.01380	52.7
72.99294	6.0
73.02934	3.7
76.75638	0.8
80.43428	0.7
83.01350	2.8
85.02949	12.5
87.00861	3.8
89.02443	62.7
95.01384	4.2
101.02437	23.2
102.50661	0.8
108.02168	1.7
109.02974	1.2
113.02450	19.9
117.03478	1.4
119.03488	19.9
121.02943	1.3
123.04510	1.2
131.03510	1.6
132.90598	0.8
133.02924	1.0
134.03767	0.8
134.42476	0.8
134.78262	0.7
135.04448	0.9
136.01651	3.4
143.03493	4.2
145.02974	5.9
146.03737	30.8
147.04541	1.8
149.02432	3.3
149.04503	1.4
150.03246	5.4
150.30772	1.0
151.04025	3.7
153.68019	0.9
154.02574	0.8
161.02463	4.7
161.04584	5.6
161.06078	8.9
162.03230	53.9
163.03981	3.6
164.04794	24.7
165.05559	3.8
175.61017	0.9
177.05563	30.1
179.05594	8.6
179.07138	25.8
180.04286	1.9
181.42789	0.8
191.07196	1.6
195.06674	5.5
201.99635	0.9
203.07172	0.8
251.07126	1.0
256.03754	1.8
263.07184	0.8
267.06619	1.9
279.06671	3.6
281.08182	1.0
297.07660	1.7
297.11398	1.5
299.09293	4.1
309.11273	5.8
312.09988	1.3
315.08707	3.6
324.10156	1.4
327.08701	7.4
327.12460	7.9
330.11157	7.7
339.12454	8.4
342.11172	3.9
345.13510	8.3
357.13559	11.8
360.50934	0.9
375.14651	1.0
477.23126	1.8
519.18927	7.2
537.28900	4.6
556.66724	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.4
57.03430	3.3
58.00593	0.6
59.01111	1.0
59.01385	19.1
61.98823	0.8
69.03461	0.8
71.01382	12.1
72.99277	1.0
73.02949	6.4
78.95898	4.0
83.01389	3.0
85.02948	6.5
87.00863	3.8
89.01989	0.5
89.02437	6.6
92.12437	0.5
99.00871	1.1
101.02438	9.7
111.00856	0.7
112.08159	0.6
113.02427	2.9
119.03469	1.2
125.02411	1.2
131.52344	0.5
149.04570	1.0
171.00612	1.2
176.01102	0.8
177.01515	0.6
183.17480	2.1
191.03413	0.5
206.94760	0.6
211.17123	0.8
229.15796	1.1
229.18082	29.8
315.88245	0.5
373.22339	4.3
391.23468	27.8
489.32532	5.3
501.23529	12.0
519.28265	0.8
536.27380	0.6
537.21082	18.6
537.29041	100.0
538.20990	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.7
57.03462	1.4
58.00594	0.4
59.01386	46.5
61.98824	1.8
64.33482	0.4
71.01383	13.4
72.99286	0.5
73.02950	4.5
78.95913	0.6
83.01379	3.8
85.02943	9.3
87.00880	0.6
89.02428	1.0
92.64338	0.4
95.01346	0.8
96.95997	0.6
99.00877	2.1
101.02435	11.9
113.02440	5.3
134.03708	0.9
137.53218	0.5
146.50095	0.4
155.10793	0.5
159.03015	0.6
161.04578	5.7
199.11310	0.7
262.47406	0.5
267.17691	0.7
283.16992	2.0
313.18185	0.8
315.19705	100.0
316.19968	3.3
477.24976	47.2
478.25128	1.7
523.53412	0.5
537.20587	0.6
537.28162	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64143	0.1
54.82316	0.2
55.01885	1.8
57.03463	1.7
58.00593	0.4
59.01386	16.9
69.03442	1.1
71.00986	0.4
71.01382	11.8
71.05016	0.9
72.99287	1.1
73.02944	4.7
78.95885	0.7
81.03439	0.3
83.01388	3.5
85.02953	5.6
86.00079	0.8
87.00871	3.0
87.04498	0.2
87.37687	0.2
89.02445	3.1
95.01361	0.8
96.52773	0.2
97.02917	0.9
99.00873	1.3
99.04523	0.3
101.02433	6.3
102.39689	0.2
103.04000	1.0
111.00874	0.3
113.02446	2.4
115.04027	0.4
119.03483	0.3
124.01670	0.8
125.02431	1.6
131.03465	0.2
141.01936	0.2
141.12851	1.2
143.03482	0.4
145.05052	0.3
165.05554	0.4
183.17540	1.6
195.10240	0.3
205.07190	0.3
211.17052	2.0
213.18744	0.2
229.18092	25.9
230.18506	0.3
241.18190	0.3
243.19577	0.9
271.19110	0.3
373.22299	3.7
391.23431	24.6
392.23898	0.6
519.27972	1.3
537.29224	100.0
538.29510	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	537.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63303	0.3
51.07717	0.3
51.46627	0.3
55.34696	0.4
59.01398	0.8
61.98841	0.9
72.53550	0.4
99.92561	0.5
115.92104	0.7
116.92861	1.0
144.20380	0.5
227.20152	0.8
320.76822	0.5
323.67599	0.5
368.27985	0.5
455.35370	100.0
456.35782	2.1
537.35657	60.2
538.36407	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4897
Annotation	5-PAHSA
Peak:m/z	Relative Intensity
61.98816	0.6
85.48052	0.7
98.79452	0.7
102.15028	0.6
102.55025	0.5
107.92388	0.5
113.01846	0.6
156.69695	0.5
184.70421	0.6
220.37575	0.6
221.30685	0.7
255.23329	58.8
273.04425	0.7
281.24896	100.0
282.25217	1.2
376.20810	0.6
380.87476	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27482	0.3
61.98834	100.0
85.51587	0.3
93.44232	0.5
102.60234	0.4
137.58884	0.4
156.51358	0.4
164.01686	0.4
204.48888	0.3
212.44754	0.4
402.75635	0.4
453.33752	14.6
454.34286	0.5
455.34647	0.8
456.34665	1.5
516.17108	0.4
529.52350	0.4
533.06891	0.4
537.34137	0.4
538.31519	72.2
539.31836	1.7
553.84119	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08745	0.3
54.82675	0.3
56.48777	0.3
57.03448	0.5
59.01395	14.6
59.36164	0.3
61.28688	0.3
61.98830	0.8
71.01394	4.6
72.99297	0.4
73.02928	2.1
73.40022	0.3
75.00848	0.5
83.01366	0.4
83.05025	0.6
85.02943	2.1
87.00893	0.4
89.02451	2.8
95.01395	4.5
96.95423	0.7
96.96006	15.2
97.02926	1.6
99.00858	1.9
101.02417	3.7
107.08621	0.6
113.02444	1.8
117.56308	0.4
121.02930	2.3
122.03761	0.6
123.00873	36.0
123.84644	0.4
124.01634	0.4
125.02447	0.8
133.10234	0.3
135.08136	1.5
137.02408	0.7
138.03226	17.3
141.05608	0.5
149.06088	0.6
149.09706	1.4
153.05563	6.4
153.08023	0.6
153.09213	13.2
161.04506	1.7
161.06042	1.4
165.01906	0.7
166.99855	39.7
167.10748	0.4
175.07559	0.4
177.09235	3.9
179.07103	0.4
181.01414	1.6
182.02216	100.0
183.02928	1.8
193.08742	1.5
197.04567	98.2
197.08212	3.4
220.32774	0.4
221.08226	4.4
239.09268	3.1
253.10799	0.6
265.82538	0.3
281.10254	2.9
329.13824	0.4
341.12442	6.6
355.32303	0.4
382.99799	0.3
411.06537	0.4
441.21228	3.8
479.25858	2.1
539.17865	3.4
539.27246	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	539.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.9
57.03452	1.6
58.00594	2.0
59.01385	100.0
60.88003	0.8
61.38821	0.7
61.98824	4.4
62.26437	0.8
65.60374	0.8
71.01380	47.4
72.99305	4.5
73.02952	1.5
73.11168	0.7
75.00868	3.8
77.12907	0.8
83.01376	3.5
85.02939	13.3
87.00880	3.6
88.98801	1.6
89.02438	63.1
93.03457	1.6
95.01376	3.6
96.95997	5.0
99.00874	1.7
101.02428	25.1
108.02162	1.8
111.00937	0.9
111.04582	1.1
111.94210	0.9
113.02436	19.0
119.03495	21.0
120.01260	4.0
121.02920	6.0
122.03732	6.0
123.04523	1.1
131.03496	1.2
133.02980	1.9
134.03772	1.2
135.04524	1.4
137.02420	1.4
139.00348	1.3
143.03508	2.1
145.02913	3.8
146.03751	3.7
146.76556	0.9
147.04500	1.1
149.02405	11.4
149.04507	1.6
150.03220	29.9
151.04024	1.5
153.01894	3.2
153.09206	1.5
154.02716	0.9
161.02507	2.1
161.04593	4.2
162.03232	32.7
162.04590	1.4
163.04100	1.0
164.04814	5.2
165.05551	29.2
166.06343	14.5
177.05562	18.8
179.05603	9.8
179.07138	4.4
180.04320	4.6
181.05138	1.2
181.08675	3.9
195.06660	13.3
197.08247	1.6
207.06609	1.8
208.07411	5.2
215.70633	0.9
273.07547	1.3
301.07291	11.2
314.11243	1.0
316.09607	2.1
317.10388	1.4
317.14056	1.1
329.13748	3.6
343.14063	2.1
359.15100	13.3
359.48203	0.9
377.16373	2.9
479.14944	2.4
491.19373	20.8
539.21240	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	539.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71581	0.3
54.83032	0.3
55.01894	4.1
57.03450	3.1
58.00575	0.7
59.01391	26.8
61.98814	1.6
62.80664	0.3
64.36179	0.3
65.09435	0.4
71.01382	20.4
72.99264	1.9
73.02596	0.4
73.02944	6.6
75.00853	0.7
83.00998	0.3
83.01381	6.1
85.02482	0.7
85.02950	11.5
86.00065	0.8
87.00829	1.9
88.98780	0.5
89.02455	5.9
93.03412	2.1
95.01337	2.3
96.95966	1.5
99.00877	2.9
100.77421	0.4
101.02444	19.8
108.02128	0.9
111.00923	0.5
113.02435	6.4
119.03486	2.1
121.02978	4.0
122.03741	7.2
123.04499	0.9
125.02377	0.6
127.84611	0.5
129.01920	0.6
132.02159	1.8
133.02943	8.5
134.03735	3.3
135.04514	0.8
136.01627	1.9
146.03705	0.9
147.00865	0.5
147.04546	1.0
148.01717	0.5
149.02452	52.8
149.06041	3.0
150.03235	54.0
151.03987	0.5
153.09184	0.9
159.02992	0.4
161.04596	0.5
162.03214	2.7
163.03601	0.6
164.04799	10.3
165.05574	36.4
166.06367	7.6
167.07085	2.4
176.40036	0.5
179.05670	0.5
179.07150	0.5
180.04230	2.7
181.08707	7.2
195.06648	9.8
222.97104	0.6
237.99461	0.9
270.08868	0.7
283.09662	0.5
291.49225	0.5
299.09186	1.6
314.11618	6.7
315.12424	2.7
317.14136	0.6
329.14035	17.1
341.13141	0.5
343.14056	11.5
359.13739	0.6
491.19287	100.0
505.59717	0.5
521.19977	0.7
539.21411	24.2
539.29559	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2274
Annotation	Pulcherrin C
Peak:m/z	Relative Intensity
50.92826	1.0
53.07774	1.0
59.01387	20.0
61.98808	1.5
63.67678	1.1
66.47186	1.0
69.70202	1.1
71.01397	13.5
73.02932	3.1
75.23475	1.3
76.67618	1.2
83.01334	1.2
85.02956	2.0
89.02444	18.9
99.00862	5.4
101.02453	9.6
113.02455	5.8
119.85228	1.2
133.47472	1.2
140.86955	1.0
143.03415	1.3
149.04526	9.7
161.04538	1.4
254.13870	1.7
317.57574	1.6
360.87347	1.3
392.70813	1.4
503.17212	1.8
503.25012	50.6
539.22760	100.0
540.23004	2.0
541.33264	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61420	0.3
55.01686	0.3
55.01891	4.3
56.57907	0.3
57.03459	3.2
58.00622	0.4
59.01386	34.4
61.47371	0.3
61.98816	1.5
69.03458	0.5
71.01382	35.2
72.99302	1.8
73.02947	19.5
75.00875	0.9
81.03460	0.5
83.01379	8.7
85.02944	19.0
86.00114	0.7
87.00839	3.0
89.02441	14.9
95.01366	2.3
96.95989	1.4
97.02943	1.6
98.12148	0.4
99.00877	6.9
101.02437	39.5
108.02172	0.5
111.00869	2.3
113.02446	13.3
115.04006	2.1
118.84542	0.4
119.03484	2.1
125.02428	2.4
129.01944	1.5
131.03506	1.9
134.03738	5.2
143.03481	2.0
149.04932	0.6
149.06071	7.0
159.02974	2.8
161.04559	5.4
181.56674	0.4
185.15511	0.6
187.07564	0.3
191.05566	0.6
197.08290	0.6
233.06570	1.4
245.17522	0.6
249.46989	0.4
255.13896	1.3
347.20804	23.0
387.27115	0.4
479.25037	100.0
480.25729	0.7
539.27411	9.8
539.35199	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2717
Annotation	Murrastifoline C
Peak:m/z	Relative Intensity
55.01888	5.6
56.02312	0.4
57.03458	4.5
58.00608	0.8
59.01387	55.9
61.98823	2.2
64.11819	0.4
68.83695	0.4
69.03458	1.0
71.01384	49.6
72.99293	2.0
73.02535	0.8
73.02947	24.2
75.00864	1.2
81.03453	0.5
83.01389	10.3
85.02951	26.0
86.00101	0.5
87.00859	3.3
89.02443	17.7
95.01389	3.9
96.96031	0.5
97.02916	3.0
99.00294	0.9
99.00880	10.8
101.02437	43.2
111.00900	2.3
111.34740	0.5
113.02448	18.7
115.03989	2.5
119.03522	1.0
125.02424	3.5
129.01891	0.8
131.03532	1.8
138.03206	0.5
139.69597	0.5
143.03468	1.9
153.05557	2.4
159.02979	3.7
161.04584	11.0
179.05524	0.7
185.15459	0.8
191.03584	0.9
217.00427	0.6
233.06691	0.8
245.17581	1.3
281.14517	0.5
347.20789	17.8
366.14804	0.6
407.22943	3.1
479.25043	61.7
539.27179	100.0
540.27716	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2714
Annotation	Murrastifoline C
Peak:m/z	Relative Intensity
51.66464	0.4
52.98841	0.4
55.01889	8.0
57.03460	4.6
57.03669	0.4
58.00589	1.0
59.01386	74.4
61.98840	4.4
69.03456	2.1
71.01381	62.9
72.99302	3.3
73.02945	26.5
75.00868	2.5
81.03435	0.7
83.01382	12.8
85.02950	34.0
86.00097	0.7
87.00883	4.7
89.02440	20.4
95.01376	5.2
96.95974	1.1
97.02948	3.8
99.00868	13.8
101.02435	61.4
111.00875	3.0
113.02448	24.9
115.03966	0.9
116.07656	0.6
119.03474	2.5
121.02991	1.4
125.02419	3.8
129.01901	1.1
131.03499	3.4
143.03508	1.4
145.90623	0.6
149.04570	0.9
152.23697	0.7
153.05608	5.3
153.46268	0.7
156.66757	0.6
159.02968	4.5
161.04559	16.5
164.04811	1.2
165.05502	0.6
176.01131	1.2
179.07027	0.8
193.15799	0.6
233.06662	1.2
235.44675	0.7
245.17572	2.8
347.20758	22.4
407.22964	3.2
479.25031	93.9
480.25677	1.1
497.27139	0.8
539.27155	100.0
540.27106	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54517	0.6
59.01384	100.0
61.98847	5.5
67.91685	0.7
71.01384	12.7
73.02943	3.9
78.59409	0.7
83.01386	1.5
85.02928	5.9
87.00842	1.3
89.02439	1.4
97.02988	1.1
99.00871	1.1
101.02426	7.6
113.02443	4.4
161.04575	9.5
217.00250	1.8
283.73636	0.8
284.10654	0.8
287.20135	3.9
374.99454	1.4
388.23300	0.8
479.19604	1.4
479.26578	22.5
539.21869	2.1
539.29272	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19877	0.8
59.01385	100.0
61.98838	2.0
71.01380	13.6
73.02925	4.0
78.95914	2.3
83.01389	1.4
85.02941	8.9
87.00867	6.1
88.76920	0.9
89.02443	1.0
91.70392	1.0
99.00880	1.9
101.02438	10.3
110.70695	0.8
113.02444	5.7
120.86140	0.9
148.15797	1.0
161.04558	6.5
171.55951	1.0
174.99257	1.7
217.00301	6.5
246.97830	1.2
276.40646	1.0
301.18018	5.0
315.19711	14.8
317.21219	8.9
374.99164	2.3
389.23401	4.9
479.26553	53.8
495.67480	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36008	0.1
59.01387	1.3
60.01728	0.2
61.98837	100.0
63.01949	0.1
69.03450	0.1
71.01392	1.3
72.01720	0.2
72.99337	0.1
73.01794	0.1
73.02950	0.1
75.85923	0.1
77.43332	0.1
88.03992	0.1
89.02439	1.4
90.02789	0.2
91.02885	0.3
92.11835	0.1
97.02948	0.1
97.06583	0.5
99.00923	0.1
101.02422	0.2
103.00465	0.1
111.00901	0.2
113.02415	0.1
115.00381	0.1
115.04060	0.1
115.07645	0.5
116.07954	0.1
116.40812	0.1
124.94136	0.1
125.02452	0.5
126.02872	0.1
131.03601	0.1
133.01498	0.1
149.02467	0.3
149.04572	0.1
153.00940	0.1
153.02022	0.4
154.02295	0.1
155.02513	0.1
159.06639	1.1
160.07019	0.3
161.16528	0.1
163.04059	0.2
167.03514	0.1
168.04337	0.1
169.04655	0.1
170.05023	0.1
233.06824	0.2
235.07185	0.1
285.11447	0.1
286.11859	0.1
292.16702	0.1
293.08926	0.2
294.09360	0.1
295.09341	0.6
296.09631	0.3
328.00882	0.1
383.56583	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	541.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07362	0.4
55.01884	0.8
57.03457	0.7
58.00609	3.4
59.01389	100.0
61.98822	0.8
71.01384	51.0
72.99304	3.0
73.02924	0.7
73.18399	0.5
75.00906	0.6
80.80974	0.6
83.01381	0.8
85.02952	10.8
86.80728	0.5
87.00863	2.5
88.99893	0.6
89.02441	83.3
92.12376	0.8
95.01385	4.0
96.95987	4.9
96.96963	0.8
101.02439	23.6
113.02444	21.1
115.00304	0.8
119.03489	30.4
122.60922	0.6
123.25494	0.5
127.04239	0.6
131.03462	3.9
133.01460	2.1
137.02559	0.5
143.03493	5.0
149.04587	2.7
150.03214	0.7
161.04541	8.3
165.05562	0.9
179.05612	43.8
185.06114	3.4
195.04462	4.2
196.29237	0.6
197.06181	2.5
212.04933	2.6
213.05588	20.1
213.07458	0.9
223.03993	4.4
224.04863	2.8
225.05630	3.9
227.07178	1.0
240.04321	11.7
240.07941	3.6
241.05081	98.8
255.06657	33.7
256.07425	53.9
270.08990	22.0
271.09772	64.6
277.05588	0.7
278.44696	0.6
290.34491	0.7
301.10873	14.9
427.13275	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.3
57.16225	0.8
58.00590	1.7
59.01383	92.5
61.98847	0.9
64.33791	1.0
69.05304	0.8
71.00984	1.9
71.01377	49.8
72.99308	4.8
73.02916	1.2
78.94656	0.8
78.95890	5.3
82.59975	0.8
83.01374	1.3
85.02947	9.5
87.00851	2.1
89.02436	75.1
95.01371	3.4
96.95999	86.8
96.96906	8.5
101.02439	24.9
113.01743	1.0
113.02457	18.6
115.00378	1.0
119.03487	30.6
131.03477	2.1
143.03510	4.9
149.04572	1.9
161.04576	8.7
167.68700	0.9
179.05609	39.7
180.01558	0.9
185.06013	1.7
195.04500	3.6
212.04836	1.5
213.05597	18.1
223.04045	4.6
225.05583	4.8
232.51001	0.9
237.05664	1.0
240.04300	10.0
240.07863	2.1
241.05074	100.0
255.06644	30.8
256.04691	1.9
256.07410	55.0
270.08981	22.2
271.09763	67.7
301.10886	10.1
472.39667	1.0
541.22882	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30556	0.5
53.72211	0.5
57.03457	0.9
58.00607	0.6
58.67618	0.5
59.01397	14.8
61.98832	2.7
69.03454	0.5
71.01380	4.8
71.49973	0.5
73.02944	2.6
83.20439	0.5
85.02962	3.1
87.04527	6.3
89.02444	2.8
90.71521	0.7
92.87006	0.7
95.01409	6.3
97.02945	1.0
99.00884	0.7
101.02441	4.0
109.02937	1.0
109.06627	0.7
110.79758	0.5
113.02502	1.0
117.81441	0.6
123.00880	41.3
124.65434	0.6
135.08159	0.9
136.56645	0.6
137.09714	6.4
138.03233	19.3
138.05879	0.6
153.01900	0.7
153.05586	5.4
155.10785	26.0
166.99852	44.1
176.65915	0.6
179.10765	1.3
181.01476	1.0
181.08699	1.4
182.02220	100.0
183.02696	0.9
191.10884	1.1
195.10225	0.6
197.04572	86.4
199.09772	17.5
199.11462	1.0
230.03688	0.6
239.52368	0.6
241.10831	6.3
253.10953	1.2
255.12485	2.7
271.13663	0.6
283.11862	12.5
291.36957	0.7
306.69626	0.6
343.14020	6.4
361.18640	1.1
481.28265	0.7
505.21051	0.9
541.27344	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.4
59.01390	8.4
60.94756	0.3
61.98841	4.3
69.09499	0.3
71.01384	4.8
73.02944	3.3
85.02926	0.6
89.02447	4.8
96.95997	1.4
99.00945	0.4
101.02439	3.3
113.02435	1.7
119.03484	0.8
135.08148	1.3
137.09714	7.6
139.87895	0.3
142.83383	0.4
143.03625	0.3
155.10783	100.0
161.04495	0.4
161.43204	0.4
166.99905	0.4
179.05621	1.8
182.02180	2.2
197.04660	0.7
199.09775	60.4
200.10059	0.4
305.38351	0.4
341.10953	7.2
478.18173	0.8
481.25592	0.6
495.25894	0.5
541.23907	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11496	2.6
59.01387	100.0
61.98830	15.2
71.01388	20.2
73.02931	4.2
79.61626	3.1
85.02938	6.2
89.02444	20.4
95.01385	3.5
96.95982	5.2
101.02438	15.8
113.02442	13.0
116.92875	5.5
131.12555	3.4
149.04578	3.6
155.10747	16.1
161.04695	4.0
185.60039	3.2
199.09807	4.8
225.01715	3.3
228.38057	3.6
237.32426	3.4
264.62369	3.8
361.18924	4.6
408.75223	4.0
427.74829	3.8
481.28339	3.8
503.24869	13.0
505.26801	39.2
541.23499	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3018
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
54.84851	0.7
55.01886	2.0
55.71450	0.8
57.03450	1.6
59.01388	49.5
59.01688	1.7
61.98819	5.0
65.63885	0.8
71.01386	30.7
73.02949	10.7
78.40323	0.9
83.01386	5.5
85.02945	14.7
89.02454	1.4
95.01376	1.2
96.96010	1.2
99.00870	4.4
101.02437	24.0
113.02448	14.3
116.92816	0.9
116.97186	0.9
159.02980	2.2
161.04585	9.5
213.20398	1.2
252.65694	0.9
319.22794	5.2
481.28143	100.0
482.28589	1.9
541.29297	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3024
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
50.84383	0.9
55.01883	2.3
57.03448	1.6
59.01389	100.0
61.98839	13.4
71.01384	26.4
72.99258	1.3
73.02936	7.8
78.57462	0.9
83.01385	4.6
85.02963	15.1
86.90195	0.9
88.36775	1.0
89.02447	5.2
95.01364	1.3
96.96001	2.3
99.00869	3.9
101.02433	18.1
113.02466	13.1
119.46465	0.9
120.17107	1.0
161.04567	14.9
202.67108	1.0
259.53116	1.0
287.20383	2.0
481.28162	66.5
541.21832	4.4
541.30231	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	541.325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45922	0.2
59.01382	1.1
60.99313	16.8
60.99627	0.6
87.00876	2.0
88.00416	1.4
88.04039	0.3
88.98801	100.0
89.02440	22.3
92.12399	0.3
229.78711	0.2
231.52710	0.2
266.62006	0.2
451.32916	0.4
481.20618	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
75.93962	0.3
99.45834	0.3
107.94830	0.3
115.62450	0.3
116.92893	1.6
120.00135	0.3
158.65680	0.3
234.41203	0.3
284.80423	0.3
325.87772	0.3
409.33282	0.3
539.83270	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03772	0.5
53.41532	0.4
55.01880	5.8
57.03452	3.8
59.01385	90.2
71.01381	39.5
72.99300	0.9
73.02943	15.1
74.81675	0.5
83.01386	6.9
84.02159	0.5
85.02945	22.7
87.00883	1.3
89.02435	3.2
95.01391	3.5
97.02930	0.6
99.00871	4.9
101.02432	32.1
101.30599	0.5
113.02445	20.4
125.02394	0.7
129.01888	0.7
132.64232	0.6
139.53627	0.6
143.03517	1.3
159.03015	4.0
161.04536	19.8
166.51410	0.7
223.85957	0.6
271.20648	2.4
283.20804	0.7
303.23276	0.6
321.24423	3.4
365.23370	1.4
465.28595	1.0
483.29697	100.0
484.29889	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	544.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17090	0.3
59.01389	2.2
61.98838	100.0
71.01392	0.5
89.02489	0.3
96.96011	1.2
103.03983	0.3
128.03534	0.5
130.08789	0.4
147.59702	0.3
176.01154	2.2
189.11417	0.4
191.03581	1.7
294.43466	0.3
385.56812	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
60.91109	68.0
69.25375	72.6
76.55368	78.2
78.00829	81.9
78.92424	89.3
84.27061	81.4
446.98163	100.0
507.15253	98.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58430	0.1
59.01389	100.0
63.42183	0.1
66.17475	0.1
69.57294	0.2
71.01392	0.8
81.92416	0.2
89.02467	0.3
96.76517	0.2
101.20841	0.2
105.94376	0.2
113.02532	0.3
133.74840	0.2
154.80095	0.2
161.04616	0.3
161.64418	0.2
195.29944	0.2
227.02333	0.2
255.23331	17.8
256.23825	0.3
269.24899	1.6
297.24265	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49083	0.5
57.03435	0.7
58.00600	0.9
59.01386	58.3
71.01379	36.8
72.00904	7.2
72.99328	0.8
73.02969	0.7
74.02473	10.5
83.01376	1.1
84.22076	0.6
85.02932	5.4
87.00854	1.1
89.02436	56.7
92.12266	0.8
95.01365	2.7
101.02431	20.6
101.67654	0.7
113.02437	17.4
116.04234	1.1
116.05054	28.6
119.03491	17.6
131.03490	1.6
132.71564	0.6
142.06616	9.3
143.03462	2.4
143.62033	0.7
149.04567	1.4
152.02846	0.7
159.09254	6.5
161.04565	4.8
169.14513	0.7
179.05598	15.3
186.05617	1.4
203.08287	42.3
341.10913	100.0
342.10934	2.2
382.14816	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92778	0.4
54.82987	0.5
55.01897	0.6
58.00591	0.9
59.01390	59.9
59.02695	0.5
61.98860	0.6
62.47544	0.5
64.36091	0.5
64.59840	0.4
69.80048	0.5
71.01383	26.1
71.01759	1.1
72.99305	2.4
73.02974	0.6
78.95279	0.5
83.01403	0.9
85.02950	4.3
87.00864	0.7
89.02441	28.2
92.12289	1.1
95.01376	1.3
96.96014	2.3
101.02435	13.7
113.02431	9.1
116.92843	0.8
119.03506	10.8
131.03476	0.7
131.08263	7.4
143.03520	1.1
144.08211	1.0
145.07712	10.8
156.07755	0.7
159.05666	1.0
159.09279	0.8
160.06421	38.0
161.04553	1.0
161.07199	34.6
173.07095	0.8
173.10675	7.3
175.08760	1.2
176.01192	1.0
179.05582	4.4
183.09366	1.0
185.10883	1.0
186.08034	1.9
187.08775	21.4
187.39250	0.6
189.06683	23.2
190.99857	4.7
191.03545	0.9
196.03862	0.5
198.97609	0.5
200.17671	5.3
201.10355	24.1
203.11871	4.2
203.79498	0.5
204.04254	2.2
206.02234	5.3
219.06610	0.7
220.79774	0.6
221.04588	4.5
229.09831	87.0
230.10185	1.2
242.18767	0.7
249.07744	0.9
264.50671	0.5
277.11951	7.2
304.07147	0.6
304.10535	0.6
305.11462	100.0
306.12009	0.7
316.43982	0.7
323.11951	0.8
339.25726	0.6
425.25314	2.3
485.17807	40.3
545.21265	1.0
545.29480	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	545.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.4
59.01388	100.0
61.98827	3.0
65.59045	1.3
68.97076	1.6
71.01379	33.2
73.02947	12.8
78.95911	2.5
83.01384	3.3
85.02939	20.1
87.00858	1.8
97.33526	1.4
99.00880	6.2
101.02423	25.9
113.02431	16.6
159.02979	2.9
161.04547	15.9
180.39386	1.8
191.22794	2.2
285.05896	1.9
403.15787	3.3
485.31281	94.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09893	0.1
53.23453	0.2
54.78031	0.1
59.01383	1.1
71.01373	0.9
73.02946	0.3
74.02473	1.0
74.89185	0.2
83.01401	0.2
85.02943	0.8
87.00848	0.2
92.11743	0.2
93.03449	74.7
94.03754	0.7
96.14248	0.1
96.96059	0.2
101.02438	0.4
121.02886	0.2
126.73820	0.2
132.19118	0.1
137.02441	100.0
138.02771	1.1
141.86426	0.2
171.94615	0.4
179.03487	0.2
200.53290	0.2
204.08745	0.4
208.24533	0.2
273.39520	0.2
279.10696	0.3
299.07764	6.0
299.11172	0.4
461.06107	0.3
546.11597	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	546.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.6
61.98835	100.0
78.95877	0.2
84.45120	0.2
104.48263	0.2
112.17271	0.2
144.85068	0.2
173.66068	0.2
452.74960	0.2
486.31021	0.3
568.98615	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
57.03450	1.0
58.00595	2.4
59.01389	54.9
61.98827	1.1
64.35248	0.5
69.03439	0.9
71.01385	30.3
72.99289	2.8
73.02928	2.5
82.95420	1.1
83.01380	2.2
85.02952	6.5
87.00881	1.2
88.98809	2.3
89.02442	40.1
89.17131	0.6
95.01375	1.9
96.96033	0.9
97.02970	1.0
99.00878	1.0
101.02441	14.3
107.01360	3.3
113.01722	0.6
113.02461	11.7
119.01377	2.1
119.03494	13.5
123.00854	0.6
125.02432	3.4
135.00877	11.9
141.01723	0.6
143.03510	2.9
146.03761	6.2
149.04559	0.9
150.03134	2.0
161.04567	2.7
161.06093	4.6
163.00378	29.4
163.04002	1.3
163.74390	0.6
169.29588	0.5
175.00407	0.7
178.06357	1.2
179.05608	15.9
179.10820	0.9
190.99873	100.0
192.00653	21.7
197.35971	0.6
201.15009	4.0
205.01398	1.2
206.02222	83.5
207.02998	18.0
233.06627	0.8
293.08749	2.8
363.20148	2.3
367.08249	31.4
368.08725	0.7
465.17416	0.6
487.25055	0.7
509.26004	11.6
511.26321	2.9
547.14355	6.2
547.21393	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18963	0.1
59.01384	1.0
61.98825	1.3
64.96003	0.2
71.01360	0.2
73.02952	0.2
78.54977	0.2
82.93333	0.2
83.97332	0.1
85.06589	33.6
87.04510	1.1
88.04055	0.4
89.02451	0.2
96.96018	0.7
101.02431	0.3
111.00848	0.4
113.02448	0.3
113.06116	0.2
115.00378	0.2
116.92854	1.5
121.03048	0.2
129.05556	0.6
130.08740	1.6
131.03546	1.7
131.07137	100.0
132.02994	0.6
132.07513	0.3
134.03764	0.8
156.76633	0.2
172.09831	0.3
175.03999	0.2
176.01210	0.7
176.04881	0.3
191.03506	0.4
191.07230	0.6
235.06200	1.6
553.17487	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56643	0.7
55.01899	7.8
57.03456	5.3
58.00609	1.5
59.01390	57.7
61.97000	0.7
69.03455	1.4
71.01392	83.2
72.99314	3.4
73.02956	32.7
75.00879	1.7
75.44126	0.8
83.01398	14.0
83.21526	0.8
84.02171	0.8
85.02962	39.0
87.00877	5.2
89.02457	30.8
92.12356	1.7
95.01377	6.5
97.02959	5.0
99.00891	15.7
100.18321	0.9
101.02445	67.9
104.01052	0.8
111.00891	1.0
113.02454	29.1
115.04001	3.9
119.03472	6.2
122.29681	0.8
125.02428	4.5
127.23984	0.8
129.01880	1.3
131.03493	4.1
133.01378	1.0
143.03500	3.4
149.04536	1.0
151.95605	0.8
159.02997	6.6
161.04565	17.4
184.00797	0.9
214.54887	0.8
233.06636	1.1
341.19693	1.7
343.09378	1.0
344.97345	0.9
353.19800	14.6
371.20825	4.6
392.28912	1.0
415.06726	1.0
473.23715	1.8
485.23959	44.7
503.18066	1.5
503.25076	31.8
503.32483	1.2
517.22992	19.8
529.23120	12.6
547.24054	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60346	0.1
59.01385	1.4
60.37443	0.1
61.98837	100.0
64.59307	0.1
78.95722	0.1
78.96310	0.1
87.34015	0.2
92.02544	0.3
96.59007	0.1
101.05090	0.1
106.71738	0.2
121.39208	0.1
140.64755	0.1
162.94240	0.1
198.54559	0.2
253.28175	0.2
345.00342	0.2
453.33853	2.9
454.33707	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82711	0.2
59.01384	0.7
60.35237	0.1
60.75182	0.2
61.98838	100.0
71.01389	0.7
71.04206	0.1
73.02946	0.2
85.06593	2.7
86.06946	0.3
88.04063	0.9
89.02460	0.3
92.12369	0.3
96.96032	0.4
115.00344	0.3
116.92889	0.3
130.08783	0.2
131.07137	9.3
131.08061	0.3
132.03015	1.6
132.07474	1.3
148.01724	0.3
176.01152	2.9
176.04800	0.2
177.01486	1.6
178.01781	1.0
179.01897	0.3
185.84000	0.2
191.03563	2.6
192.03841	1.9
193.04112	0.8
194.04359	0.2
275.88379	0.2
313.19778	0.2
512.19055	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
57.03450	0.8
59.01390	8.1
71.01379	12.5
72.00906	16.1
72.99281	0.5
73.02948	4.9
74.02455	0.5
79.15401	0.3
79.36719	0.5
83.01376	2.1
85.02951	5.8
87.00859	0.7
87.92576	0.3
89.02445	6.3
91.05479	0.5
92.11766	0.8
93.03426	2.0
95.01383	2.4
96.95985	1.7
96.96930	0.6
99.00880	3.5
101.02436	13.3
113.02455	5.8
115.03992	0.6
121.02956	0.9
123.00875	29.3
124.01640	2.2
125.02410	0.7
128.07195	3.1
130.08739	0.4
137.02441	3.6
138.03229	21.5
139.04004	3.4
143.03458	0.8
146.06195	0.4
147.04527	60.6
149.04523	0.4
151.03999	0.5
159.03008	1.5
161.04558	7.9
164.07173	100.0
170.05702	0.4
177.01813	0.4
178.02699	0.5
181.05070	2.0
193.05016	0.6
233.06660	0.5
251.11362	11.2
301.09366	9.2
301.15237	1.6
303.78973	0.4
305.01840	0.4
368.10309	2.3
383.15625	47.5
401.07855	1.4
422.00790	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	0.2
59.85351	0.1
61.98838	0.6
76.52226	0.1
77.03963	1.8
79.44478	0.2
79.95745	0.2
92.11806	0.2
121.02948	100.0
122.03250	1.4
145.86487	0.2
147.04572	0.3
165.01930	32.1
180.05846	1.2
181.06598	3.0
192.95634	0.2
197.06059	2.8
207.04498	0.8
223.04204	0.2
225.05603	1.5
228.11032	0.2
256.08969	0.4
257.09702	0.8
292.86572	0.2
313.07092	1.1
357.06244	0.4
417.09711	1.6
505.11298	1.2
549.10468	24.2
549.28473	1.6
550.10760	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95919	1.0
58.60611	0.9
59.01387	15.8
61.97341	0.9
61.98834	4.2
71.01379	7.1
71.02519	1.7
72.00916	5.2
72.99291	1.1
73.02945	2.1
74.02472	8.2
78.95901	1.9
82.02977	18.0
82.95419	1.8
85.02943	2.3
85.04064	1.2
89.02444	5.4
93.03468	8.5
96.96003	87.8
96.96978	6.1
98.01191	1.1
101.02438	2.1
106.04214	1.7
107.05027	11.9
108.00921	1.4
112.37212	1.3
112.71140	1.1
113.07218	19.7
117.03507	1.1
119.05024	41.0
125.03596	1.7
128.03534	1.5
131.03789	2.0
132.04555	6.4
133.87190	1.1
134.03712	2.0
134.06145	6.7
136.01669	1.1
137.02493	1.4
139.05142	40.1
144.04555	1.1
145.02963	6.2
146.06184	3.7
147.04550	8.3
160.03989	2.1
161.02455	1.5
162.05612	57.3
163.04021	14.8
167.92940	1.0
174.05627	6.7
176.07147	13.1
177.03210	1.6
179.08246	10.0
180.06674	57.2
184.37141	1.2
189.06786	1.7
191.08432	1.3
202.05118	2.3
205.06235	14.9
207.06343	9.7
215.11922	1.7
237.08803	1.9
241.09933	2.4
259.10901	20.4
281.13040	1.6
282.11383	100.0
285.08884	5.3
324.13620	2.0
334.14227	5.6
337.78296	1.0
343.13049	39.2
368.12601	6.0
396.19296	1.6
440.18338	84.2
466.16159	7.7
521.35126	1.2
549.20050	89.1
549.28967	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	549.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88739	0.4
56.25968	0.4
58.70219	0.4
59.01368	0.8
72.00909	10.1
74.02072	1.0
74.02469	16.5
78.95925	0.8
81.56468	0.6
88.63761	0.4
92.11800	1.0
96.96005	3.5
96.96917	0.6
103.92023	1.9
116.05058	53.0
117.05416	0.7
122.03296	0.4
130.06602	2.8
138.41263	0.5
142.06625	17.1
152.53882	0.5
156.06873	0.6
157.07657	0.7
159.09285	10.1
161.04781	0.6
186.05638	1.1
196.63107	0.5
203.08290	100.0
204.08578	1.0
225.04231	0.6
225.06511	0.7
229.99077	0.7
258.83548	0.5
292.01642	2.0
302.82742	0.5
345.01401	1.9
359.78497	0.5
377.22925	0.6
464.36847	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13036	0.7
53.37262	0.7
57.03454	1.7
58.00609	0.7
59.01384	47.1
61.98824	4.9
71.01380	46.3
72.99300	2.1
73.02938	14.1
80.88493	0.8
83.01377	1.6
85.02960	10.3
85.09196	0.9
87.00883	10.2
89.01884	1.8
89.02438	51.4
92.12373	1.4
93.71143	0.8
96.95995	5.6
97.02917	1.7
99.00878	14.5
101.02438	24.0
101.91596	0.8
104.87754	0.8
113.02458	10.4
115.00362	12.1
115.03987	1.7
119.03482	9.7
119.05016	1.0
125.02434	4.5
131.03482	6.0
132.03029	1.4
133.01424	19.1
133.05038	3.8
133.10280	0.9
133.23033	0.9
143.03470	0.9
149.04546	11.3
161.04601	6.1
167.03545	1.0
177.09212	1.9
191.05585	4.3
195.10228	3.6
207.13931	0.9
233.06581	3.1
239.07417	0.8
251.07770	1.2
274.70908	0.9
283.01505	0.9
293.08878	1.2
319.78769	0.9
357.15591	6.3
470.35788	0.8
489.19833	100.0
490.20380	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	549.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41985	0.1
57.63297	0.1
57.88391	0.1
59.01394	1.5
60.99320	0.2
61.98831	0.2
71.01355	0.2
72.17813	0.1
74.64613	0.1
76.36061	0.1
81.00873	0.2
81.26416	0.1
85.02948	0.6
85.06557	0.3
88.98803	0.4
89.02414	0.4
96.95985	1.5
99.65091	0.1
101.06064	0.6
113.06097	0.6
129.05573	100.0
130.05885	0.9
148.05333	0.3
156.06671	9.3
157.05089	0.6
163.07642	0.2
202.31459	0.2
223.09723	0.2
229.08907	0.2
247.09941	0.2
392.15668	0.2
409.77930	0.1
410.44974	0.2
477.74329	0.2
489.16168	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30587	0.3
50.36161	0.2
52.84051	0.2
53.75650	0.2
54.82419	0.3
59.01386	3.1
63.40930	0.3
71.01383	0.4
75.00867	0.4
78.95896	0.4
80.32943	0.3
88.98798	1.4
89.02464	0.4
96.96002	5.4
96.96966	0.4
101.06080	0.6
113.06076	3.8
129.05574	100.0
130.05898	0.6
156.06679	10.7
157.05045	3.6
177.02068	0.3
184.69650	0.3
197.71559	0.3
208.07477	0.4
223.09737	0.5
272.16830	0.3
391.52734	0.3
392.15695	0.6
490.13031	0.9
510.09848	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.3
57.03444	3.4
58.00584	1.1
59.01388	49.9
60.94672	0.7
61.98850	2.7
62.25146	0.7
64.34127	0.7
71.01383	41.1
72.98133	0.8
72.99305	1.3
73.02950	12.6
75.00873	0.7
78.65633	0.7
80.86205	0.8
81.03500	1.0
82.39271	0.7
82.95418	1.9
83.01385	4.2
84.95117	1.1
85.02941	12.2
87.00858	3.2
89.02441	44.7
95.01365	1.7
96.96022	3.6
97.02937	1.4
99.00870	11.1
99.04555	0.9
101.02434	29.4
113.02438	15.9
115.04013	1.7
119.03477	7.2
125.02470	3.6
129.02007	0.8
131.03481	3.3
143.03510	1.7
149.04532	6.0
156.23085	0.9
161.04591	7.5
179.05687	1.2
181.12329	1.0
191.05600	1.1
233.06610	1.7
293.08755	1.0
357.19205	9.0
472.56158	1.0
489.23486	100.0
490.23563	1.4
497.34207	0.9
505.25983	1.3
513.27258	8.7
549.30249	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	549.2845
Annotation	Plukenetione C
Peak:m/z	Relative Intensity
59.01385	11.2
74.36414	4.8
78.88927	5.9
78.95910	33.6
79.95751	43.3
96.96007	11.2
128.24139	5.8
139.67398	7.9
152.99525	6.1
156.93730	5.5
194.08597	5.9
194.90012	7.1
228.56619	5.8
262.79816	6.0
277.21576	26.2
298.35236	6.6
404.43494	5.4
471.26331	8.1
476.98318	6.5
487.29315	6.0
517.57886	5.9
529.35913	6.1
549.29059	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	549.2844
Annotation	Plukenetione C
Peak:m/z	Relative Intensity
53.49394	15.1
57.38064	16.8
57.93023	13.8
78.95894	83.4
92.11662	38.3
152.99603	37.2
269.06900	18.4
277.21713	29.7
323.42606	18.2
399.29785	18.7
406.30780	15.9
549.28693	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	549.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83820	0.3
59.01376	0.5
60.33353	0.2
61.98817	1.2
73.20097	0.2
79.95731	5.4
82.42679	0.2
82.97893	0.2
83.05031	0.3
95.95219	2.4
96.95997	14.7
121.02788	0.3
127.94204	0.2
130.54079	0.2
130.65428	0.2
174.11140	0.3
176.58617	0.2
191.60017	0.3
219.07039	0.5
323.13287	1.6
337.14780	0.3
339.16171	0.4
349.14807	3.8
364.17166	1.9
365.17865	4.3
379.19641	1.5
391.29980	0.4
407.33090	2.4
409.16730	0.3
451.32004	1.5
475.25107	1.3
489.26791	13.6
505.29980	3.1
549.28961	100.0
550.29211	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	549.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
59.59119	0.1
78.95901	5.9
79.95734	1.4
80.63503	0.1
89.02455	0.1
92.12366	0.2
96.96004	100.0
96.96905	9.4
99.43409	0.1
117.19954	0.1
190.01456	0.2
205.03778	0.1
220.06206	0.5
234.08473	0.1
241.68625	0.1
383.49606	0.1
549.29608	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71644	0.4
58.68541	0.3
59.01113	0.7
59.01387	16.6
60.75212	0.4
61.98831	0.6
65.33537	0.4
71.01379	2.9
78.95890	4.6
79.95724	0.7
85.02941	0.5
89.02433	2.3
92.11765	0.6
92.92796	1.0
96.96942	0.7
99.07118	0.4
101.02409	2.7
113.02411	0.7
116.92866	1.6
119.51837	0.5
127.57243	0.4
152.99593	2.2
161.04582	0.6
235.08257	1.0
253.06870	0.8
253.09315	8.4
253.21741	100.0
369.22186	1.6
406.63834	0.6
417.69598	0.5
549.29089	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	551.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82376	0.4
59.01378	0.9
79.66664	0.4
83.43592	0.5
89.02402	0.5
93.03436	1.0
119.05015	0.6
121.02943	13.1
122.03738	5.1
132.02165	0.5
133.02933	2.8
134.03728	62.7
135.04459	2.3
136.01653	0.4
137.02451	8.8
139.04086	3.3
139.04968	0.5
147.04510	0.6
149.02438	18.6
149.04892	0.4
149.06070	19.1
150.03220	49.9
164.04761	4.1
165.05559	45.5
178.02711	40.1
178.04298	1.0
180.04314	3.8
193.05054	100.0
194.05406	0.7
195.06621	22.0
233.05969	0.6
239.07132	2.8
250.06348	2.5
253.08641	0.8
254.09583	0.8
267.06619	2.7
282.08932	8.7
285.11319	0.4
297.11246	0.7
298.59537	0.4
341.10327	26.6
389.12418	22.4
509.95844	0.6
551.17523	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	551.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	92.8
60.15095	6.7
60.27668	7.8
61.98825	21.2
69.29713	7.5
71.01386	58.8
73.02958	10.4
80.94481	7.1
82.95417	9.2
85.02942	16.6
89.02455	33.5
96.96014	14.8
101.02455	19.1
107.51174	8.4
113.02441	20.7
121.02930	42.7
148.05295	91.1
163.07683	44.4
199.11258	8.9
209.04587	11.8
271.13416	12.0
311.16516	10.5
329.17538	12.0
378.20361	10.1
389.21970	10.5
478.90759	8.8
491.22839	40.1
515.22186	97.9
515.27625	100.0
551.19189	43.0
551.27032	44.0
551.55811	9.5
561.89948	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	551.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50377	0.8
55.01880	1.9
57.03450	1.6
57.03718	0.7
58.00589	2.3
59.01387	100.0
61.97983	0.9
61.98829	1.8
70.37065	0.9
71.01382	44.0
72.99287	4.7
73.02930	6.0
75.00843	1.1
79.73952	1.0
83.01364	1.8
85.02952	11.3
87.00851	1.9
89.02443	40.1
93.79606	0.9
95.01373	2.3
101.02437	27.5
102.36132	1.0
103.69729	1.0
112.51026	1.0
113.02438	16.3
119.03487	15.6
121.02927	4.7
125.02401	1.7
131.03430	1.7
136.01660	1.5
143.03427	1.3
150.03236	1.2
150.90358	0.9
151.02841	1.4
151.04007	26.0
161.02429	1.5
161.04486	1.2
163.03954	1.1
172.05392	1.3
175.04027	1.1
179.05603	2.2
180.04289	1.1
190.06390	5.4
190.99840	1.2
191.07191	1.5
205.08624	1.5
206.02202	2.2
209.04608	4.7
221.04564	2.2
243.16000	6.2
299.09079	1.2
308.06952	1.3
311.09219	1.6
323.09268	2.1
326.08057	1.2
341.10260	8.3
341.13898	1.3
353.14145	1.3
356.12671	7.0
359.15082	7.4
371.15042	30.8
388.04413	1.1
405.21103	5.2
418.87231	1.0
449.84531	1.1
485.72540	1.0
491.19882	1.1
513.27148	7.6
515.27551	1.1
521.14313	1.3
550.30090	1.2
551.14471	1.3
551.27008	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3052
Annotation	Echinocystic acid 3-O-sulfate
Peak:m/z	Relative Intensity
58.94000	0.6
59.01379	0.8
61.98538	0.7
61.98839	13.2
64.50114	0.4
68.04597	0.4
69.18124	0.4
69.30625	0.4
78.83086	0.5
79.95732	4.6
82.48232	0.4
95.95226	2.2
96.95995	10.3
122.99467	0.5
169.14114	0.5
176.06454	0.5
183.46707	0.5
186.69353	0.5
193.02380	0.5
323.12994	0.6
337.14902	0.6
349.14932	2.3
353.18399	0.7
364.16888	0.8
365.17834	2.1
383.15045	0.6
491.28308	13.2
507.31445	2.3
551.30536	100.0
552.30762	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.3
64.87745	0.7
67.92787	0.9
78.95900	1.5
115.10531	0.6
117.55974	0.7
137.52391	0.8
152.99629	1.2
175.54430	0.7
199.17044	4.5
224.56004	0.8
255.23315	1.2
391.45663	0.9
469.33258	100.0
470.33481	0.9
519.09973	0.9
527.61456	0.8
551.33606	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39154	0.2
55.01886	0.2
59.01389	13.8
60.89522	0.2
71.01389	2.2
73.02940	0.9
74.38072	0.2
77.03832	0.2
78.95908	0.3
85.02949	0.5
87.00867	0.4
89.02442	2.4
95.92188	0.2
101.02443	2.8
113.02451	1.2
116.92862	0.3
119.03501	0.4
120.29737	0.2
122.35409	0.3
125.87308	0.2
128.49600	0.2
139.44084	0.2
145.99966	0.2
149.22568	0.2
157.05016	0.3
161.04594	1.3
190.31801	0.2
199.17032	2.9
200.85841	0.3
216.94289	0.2
235.08269	2.1
253.09306	9.0
253.11803	0.4
255.23325	100.0
256.23703	0.5
385.43484	0.3
469.33240	0.8
491.31952	0.8
500.94791	0.3
551.33398	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37357	0.2
59.01387	18.5
68.65929	0.2
71.01379	2.7
73.02940	0.5
78.95899	1.6
82.35664	0.3
83.01352	0.3
85.02943	0.6
89.02454	2.3
92.11799	0.6
92.92797	0.5
101.02437	3.3
113.02442	1.3
119.03518	0.5
130.63560	0.3
143.03430	0.3
152.99620	1.2
161.04601	1.0
169.50078	0.3
217.83801	0.3
235.08249	1.7
253.09341	8.7
255.23318	100.0
256.23685	1.1
269.24738	0.3
491.31946	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46279	0.4
59.01381	4.3
61.65207	0.4
61.98816	0.9
66.31215	0.4
78.95897	31.1
83.05065	0.5
92.65531	0.5
96.95966	1.0
96.96947	0.5
127.64496	0.5
152.99612	4.6
168.04324	5.1
224.06947	10.4
242.08017	2.0
247.31590	0.6
252.54619	0.5
253.21722	15.7
259.20905	0.6
277.21732	100.0
278.22064	1.2
282.49280	0.6
300.12646	0.5
339.10571	0.5
410.19308	1.3
478.29684	4.4
502.29459	74.8
503.29889	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	552.287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88760	0.2
59.01374	1.6
61.98815	1.1
71.01351	0.2
78.95475	0.4
78.95903	8.2
92.11764	0.3
94.25962	0.3
116.92775	0.2
119.78757	0.2
138.36153	0.2
152.99573	1.1
168.04285	2.1
224.06985	1.1
233.22704	0.3
242.07965	3.1
259.20502	0.4
275.20056	0.4
277.21747	100.0
278.22049	3.6
279.94360	0.2
289.25711	0.2
353.33133	0.3
375.70419	0.2
426.33563	0.3
502.29507	38.4
503.29797	1.8
528.58063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.4
58.00611	0.7
59.01107	1.3
59.01387	24.1
61.93022	0.5
67.00645	0.5
67.02628	0.5
69.03477	0.5
71.01379	10.5
72.99308	1.0
73.02953	0.8
75.00858	2.8
79.53074	0.6
80.36579	0.6
83.01385	1.0
85.02957	3.3
87.00879	0.9
88.98823	0.7
89.02441	9.8
89.02965	0.8
91.00511	0.6
92.65628	0.6
93.03450	74.7
95.21725	0.6
96.96024	0.6
101.02438	6.5
111.01788	0.6
113.02449	3.9
119.03490	3.7
119.05022	0.6
121.02947	30.2
123.04507	1.3
134.03740	3.0
135.04568	1.2
136.05295	3.0
137.02441	100.0
138.02722	0.9
138.70622	0.6
143.03589	0.8
144.93507	0.6
145.02963	6.1
146.03745	3.4
147.04576	0.7
149.02490	1.4
149.06125	2.4
150.03258	1.4
151.00508	0.8
151.04027	3.1
155.10776	0.6
159.10284	0.7
161.02466	1.3
161.04631	1.0
161.06119	3.1
162.03227	13.3
163.04057	3.8
165.01936	21.7
165.04085	1.4
165.05594	3.6
177.05568	8.3
179.05606	1.2
193.05118	1.2
194.05930	0.8
195.06671	8.9
196.03806	0.7
217.14410	1.0
247.15527	1.1
254.09404	1.0
311.09320	0.7
343.11929	4.2
355.11908	4.3
391.14136	0.7
445.58258	0.7
459.03375	0.6
477.70599	0.6
493.22797	1.3
553.19220	28.5
553.32257	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	553.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71653	0.8
58.96392	0.8
59.01115	1.4
59.01389	29.6
61.98548	0.9
61.98838	21.2
63.49232	0.7
64.69302	0.7
68.03371	0.8
70.56133	0.8
71.01386	6.5
72.99298	1.2
73.02934	1.0
83.01385	1.4
85.02930	1.5
87.00858	1.2
87.88905	1.1
89.02446	6.7
93.03457	2.1
96.95981	1.5
101.02404	3.9
108.02193	3.2
109.02982	0.9
113.02412	4.1
119.03503	0.9
119.05038	1.5
121.02946	13.6
121.06600	1.3
122.03744	7.0
123.04513	7.5
124.01663	1.2
127.07637	3.0
132.02174	1.3
133.02927	5.9
134.03746	3.2
135.04523	7.8
136.05292	31.3
137.02493	1.2
137.06055	5.6
137.07033	1.0
149.02432	26.7
149.06085	3.8
149.96904	0.8
150.03218	93.3
151.04021	21.6
151.07617	5.0
163.03979	1.2
164.04807	10.4
165.05569	54.0
180.04311	3.9
181.05057	7.3
194.05818	1.2
195.06648	52.7
220.36270	0.9
221.04585	1.2
239.07042	0.9
240.04393	1.2
241.08540	1.3
253.08907	1.0
267.06680	0.9
269.08432	1.5
269.11765	0.9
283.09830	11.5
284.10434	1.5
295.06244	2.1
297.07587	1.2
298.08347	1.5
299.09250	1.1
310.08591	1.9
311.09344	16.8
312.09924	1.8
313.10843	4.8
325.10849	5.5
343.11893	100.0
344.12228	3.0
367.11795	3.0
391.14050	99.4
475.16177	3.1
535.17896	1.3
553.19171	10.8
553.32056	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	553.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04045	0.6
57.03455	3.1
59.01108	1.0
59.01389	22.7
61.98839	0.7
68.06734	0.7
68.55788	0.7
70.21848	0.7
71.01383	7.3
72.99302	0.8
73.02927	1.0
85.02960	1.6
87.00876	1.6
87.59123	0.6
89.02435	4.5
93.03451	3.0
95.67227	0.7
96.95992	1.3
101.02433	4.4
108.02156	1.0
109.02958	0.7
109.06609	1.1
113.02431	3.2
116.84861	0.8
119.03480	1.0
119.05025	1.4
121.02966	8.7
122.03734	9.7
123.04506	11.1
124.01641	0.7
126.33116	0.7
127.07635	40.5
133.02954	3.8
134.03738	1.8
135.04518	8.7
136.01619	1.0
136.05264	14.2
137.06123	0.9
149.02443	19.4
149.06183	0.7
150.03218	96.8
151.04012	25.5
161.04520	1.1
162.03331	1.3
163.04021	4.2
164.04796	7.4
165.05560	100.0
171.06630	20.0
177.05527	1.6
180.04352	6.4
181.05084	13.2
191.03465	3.3
193.05142	1.1
195.06627	61.0
196.07259	1.4
204.04315	1.0
206.05864	1.3
211.09848	1.4
219.06642	1.3
225.05589	1.3
240.04283	8.7
249.05653	0.9
254.05875	1.5
255.06665	1.5
266.05945	1.5
267.06647	4.8
269.08231	1.9
270.09076	1.1
277.05096	1.8
279.06693	1.5
281.08167	1.6
282.05484	1.5
282.08777	0.9
283.06177	3.3
283.09515	1.3
293.08096	1.1
294.05234	0.9
295.06104	14.2
297.07700	17.6
298.08438	11.2
309.07596	1.7
310.08548	12.1
311.09271	7.6
312.10104	13.3
313.07224	0.8
313.10843	23.0
314.11520	1.1
325.07251	2.9
325.10757	20.8
328.09540	1.6
340.09421	1.8
343.11899	26.9
343.16046	1.3
355.11951	6.0
367.12198	1.5
373.13138	2.9
391.14026	69.0
392.14606	1.0
475.16226	18.1
487.16058	4.0
505.17142	5.1
523.18274	1.3
535.18536	8.2
553.19342	15.5
553.32672	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	553.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.4
59.01385	100.0
59.15914	0.2
60.01716	0.2
71.01381	12.9
73.02954	3.6
83.01398	1.3
85.02943	5.2
89.02440	3.6
95.01390	0.6
96.96024	0.4
97.02980	0.3
99.00890	1.3
101.02434	7.5
113.02435	6.3
119.03531	0.6
125.02464	1.1
134.79333	0.3
143.03535	1.1
149.02461	0.3
150.03362	0.2
151.03966	0.3
159.03008	2.0
161.04550	23.4
165.05569	0.6
175.53986	0.3
179.05606	0.3
188.05650	9.6
246.09830	8.1
246.12358	0.3
263.21506	0.3
278.08713	0.3
290.30981	0.3
305.06738	0.4
306.11966	8.2
322.33975	0.3
370.60324	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74499	0.6
55.01884	1.2
57.03448	2.6
58.00586	2.7
59.01392	100.0
60.01737	0.6
60.59353	0.5
61.98829	3.5
71.01392	47.5
72.99318	5.6
73.02937	2.6
75.00854	0.9
83.01392	3.5
85.02959	12.6
87.00862	2.8
89.02449	50.1
95.01385	3.0
101.01768	1.0
101.02443	25.9
106.06628	1.4
109.02932	0.7
113.02456	18.0
114.05595	0.7
119.03488	17.8
121.02940	1.0
121.80531	0.6
131.03462	1.1
136.01685	1.4
137.02492	1.2
143.03476	2.3
149.04578	1.0
150.03230	0.8
151.03995	31.2
151.05856	0.9
160.01620	0.8
161.02435	6.0
161.04568	1.1
166.06334	0.6
167.03502	0.7
177.71519	0.6
179.05670	4.8
180.04340	0.9
192.07935	2.4
195.06628	0.6
196.09064	0.6
207.10329	0.8
298.02774	0.7
310.08490	2.4
311.09268	1.0
315.12335	0.9
325.10715	1.4
328.09500	4.4
343.11899	20.2
358.14294	12.0
373.16602	43.7
376.15518	0.9
391.17679	4.3
432.31824	0.7
474.61752	0.8
548.09900	0.6
553.22717	9.8
553.30695	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
76.71806	0.3
88.88692	0.4
90.92947	0.3
92.12414	0.3
92.48085	0.3
99.92572	18.4
100.93348	8.5
115.92065	100.0
116.92066	1.3
116.92841	6.8
121.02972	0.4
132.92340	1.3
197.04547	0.6
253.01790	1.7
391.47333	0.3
453.33652	0.8
454.33890	0.4
455.34143	0.4
470.14297	0.4
553.26306	75.3
554.26672	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	553.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.4
57.03448	1.9
59.01389	100.0
61.98834	15.1
71.01383	32.0
72.99306	2.2
73.02945	10.1
83.01368	7.4
83.05022	7.1
85.02943	14.0
87.00874	2.3
88.98785	3.0
89.02460	10.4
91.33125	1.1
92.11764	1.3
99.00877	2.0
101.02434	26.8
102.40267	1.1
113.02473	11.8
119.03506	4.5
125.02509	1.6
127.75460	1.4
134.03752	7.8
136.01610	1.4
149.06061	5.4
155.45296	1.2
159.02916	1.6
161.04582	5.8
167.07117	11.3
179.05701	1.9
211.06120	6.2
217.68146	1.4
283.17075	2.1
331.19299	1.2
347.20688	5.3
409.18732	8.2
463.25580	2.2
493.24426	19.0
544.29437	1.5
553.20197	4.3
553.28625	98.1
569.10126	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06276	69.9
53.03154	65.8
54.20657	62.6
54.46966	76.5
62.86326	63.9
75.86502	62.2
78.25812	69.3
86.51593	70.9
92.12340	96.0
93.24197	70.1
152.73412	76.9
153.17485	83.3
168.42151	75.3
306.25876	100.0
321.12512	88.6
418.29886	89.9
478.13403	98.9
529.31897	91.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00410	0.1
52.52955	0.1
52.76451	0.1
57.21829	0.1
59.01378	0.6
61.49368	0.1
61.98838	0.1
66.15272	0.1
78.95902	6.5
79.06252	0.1
80.96507	0.3
96.96011	0.2
148.96849	0.1
152.99612	1.2
168.04285	1.6
224.06921	0.7
242.07986	1.9
261.22220	0.3
279.23309	100.0
280.23611	1.5
504.31033	32.5
505.31174	0.8
555.28577	0.6
572.87927	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15161	0.2
59.01385	1.3
61.98833	0.3
64.34333	0.2
71.01382	0.4
78.95900	23.0
80.96506	1.9
116.92846	1.4
117.92906	0.4
152.99600	4.1
168.04289	3.4
194.06010	0.3
224.06960	8.8
225.00760	0.3
238.15909	0.2
242.07999	1.7
243.98285	0.2
261.22220	0.5
279.23306	100.0
280.23764	1.4
504.31039	59.0
505.31369	1.5
555.28369	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	554.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16838	0.1
59.01384	21.0
78.95899	17.0
80.48672	0.1
96.96955	0.3
122.98514	0.2
123.95160	0.1
152.99576	3.1
168.04285	3.3
194.05798	0.1
224.06952	7.8
237.22301	0.1
242.08018	1.4
255.23315	100.0
256.23663	2.8
299.18124	0.2
364.46585	0.2
378.50290	0.1
480.30978	57.0
481.31216	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	554.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04866	0.1
59.01388	17.6
61.98825	0.8
63.90257	0.1
66.20776	0.1
73.10756	0.1
78.95903	5.0
80.96513	0.4
88.36752	0.1
96.96008	0.1
96.96942	0.2
101.56652	0.1
116.92870	0.2
122.98453	0.1
151.82124	0.1
152.99573	1.4
154.71922	0.2
168.04315	0.8
175.82321	0.2
224.06931	0.6
237.22212	0.2
242.08015	1.5
242.93045	0.1
255.23320	100.0
256.23688	1.6
282.51035	0.1
284.25552	0.2
322.78885	0.2
348.20486	0.2
471.34583	0.5
472.35269	2.9
480.31027	28.6
481.31378	1.1
554.35327	1.5
555.28625	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97672	2.3
59.01104	5.0
59.01389	100.0
59.18851	2.1
61.98840	28.3
65.44267	2.3
67.21930	2.5
71.01387	33.3
73.02953	5.8
75.00880	4.1
83.01379	3.2
83.89791	2.9
85.02946	11.1
87.00871	3.3
88.98785	4.7
89.02450	17.2
92.12238	2.8
95.01409	3.3
101.02436	17.2
103.00357	4.2
111.39718	2.7
113.02453	6.0
119.03484	3.8
128.03539	4.7
136.01703	5.6
151.04031	3.6
154.58900	2.5
161.04558	4.6
170.26961	2.9
191.03552	3.0
200.01642	2.8
235.67882	2.4
252.08191	3.5
324.60342	3.4
327.12231	4.5
331.19153	3.2
333.20844	2.8
339.12430	5.6
431.32730	3.1
465.24997	16.7
495.26099	19.1
555.25470	3.7
555.33820	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	555.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35768	0.6
51.02896	0.6
51.06778	0.6
52.30495	0.6
54.75495	0.6
57.03450	1.1
58.00594	0.8
59.01386	30.0
60.07142	0.7
61.98827	0.9
62.88738	0.6
69.03453	1.0
71.01388	15.1
72.99318	1.0
73.02948	1.2
81.03470	0.7
82.36647	0.7
83.01395	3.5
84.09179	0.6
85.02952	3.7
87.00887	0.9
88.98800	1.4
89.02439	19.3
93.03452	1.6
95.01453	0.9
95.05042	5.7
96.96014	1.7
97.02942	21.0
97.31718	0.7
101.02428	9.5
106.60927	0.8
107.05023	1.3
109.02975	1.7
113.02444	5.9
119.03491	6.9
121.02945	13.4
122.03749	5.2
123.00849	5.8
123.04527	2.7
124.01718	0.9
125.02444	4.4
128.03490	0.9
134.03778	1.1
135.04550	4.7
136.05202	1.5
137.02448	29.1
138.03246	12.7
139.04025	5.5
147.04504	1.2
148.05315	1.2
149.02470	11.9
149.06049	0.9
150.03229	34.5
151.04031	4.7
151.05197	0.7
152.04799	3.1
153.05582	7.2
160.05325	3.2
161.02484	3.5
162.03221	3.0
163.03993	5.9
164.01149	1.2
164.04773	9.1
165.01920	12.9
165.05566	33.3
166.02722	5.4
166.99835	7.7
167.03481	0.8
175.04019	4.3
176.04767	8.6
177.01950	1.0
177.05620	2.8
178.02740	4.1
178.06371	8.5
179.03474	4.2
179.05624	1.4
180.04309	4.3
181.01392	0.9
181.08804	0.7
182.02225	22.0
184.03918	0.8
187.04099	1.7
188.04857	6.3
189.02022	1.1
189.05626	3.6
191.03540	3.2
191.07227	7.3
193.05090	4.5
194.05838	3.1
195.06636	14.1
196.03789	1.4
197.04558	30.3
197.06267	1.4
203.07182	1.7
206.05836	12.7
217.05130	3.5
219.03026	1.7
221.08217	16.9
231.06616	1.2
232.07570	1.0
234.05441	3.5
234.50931	0.7
235.06123	8.0
239.05681	3.0
240.04385	3.7
241.05022	2.3
247.09720	1.4
249.07722	6.0
250.08498	8.0
254.05832	1.4
257.04706	0.7
257.34857	0.7
259.06223	5.1
265.10828	4.5
269.08221	0.8
274.08588	5.5
285.04044	5.0
286.08585	1.3
289.10825	5.3
291.08932	1.2
297.07727	3.8
300.06488	1.0
300.09964	1.5
308.96527	0.9
312.10114	10.7
315.08789	7.3
315.12433	3.6
318.07510	1.4
327.12369	13.8
333.09854	100.0
334.10413	1.1
334.39783	0.8
342.11432	0.9
345.09726	1.6
345.13446	14.4
357.09732	8.7
357.13647	7.0
387.11102	1.2
393.12057	10.7
451.84198	0.8
495.14865	3.2
496.14853	0.8
507.18658	3.2
524.12292	0.8
537.19891	8.8
555.17151	6.5
555.33942	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65886	0.2
57.03466	0.3
59.01391	4.1
61.98862	1.5
69.03463	0.2
71.01381	2.0
73.02940	0.5
75.00888	0.3
83.05039	0.4
85.02957	1.7
87.00859	0.3
87.35697	0.2
89.02464	0.3
93.03447	1.8
96.95996	0.3
97.02941	0.4
99.04540	0.3
101.02436	1.3
107.08672	0.3
109.02943	0.3
113.02451	0.9
113.06062	0.3
114.39330	0.2
119.03603	0.2
121.02961	1.9
122.03750	7.3
123.04523	1.1
124.01653	0.2
125.02430	0.5
125.06088	0.4
133.02974	1.1
133.10257	0.5
135.04533	0.4
135.08159	1.6
136.01643	1.0
139.03999	0.2
139.08737	0.3
149.02449	3.0
149.09720	1.2
150.03236	65.4
151.04039	2.4
152.61870	0.2
153.05583	0.4
153.09232	6.7
159.08176	0.3
161.04623	0.2
161.06050	1.1
163.11336	0.3
165.05577	100.0
166.02788	0.3
166.05893	1.2
167.03522	1.5
171.07779	0.3
175.07550	0.3
175.11343	0.4
177.09259	2.9
179.07130	0.9
180.04285	1.0
181.04991	0.3
182.05869	0.4
193.08734	0.4
195.03003	0.4
195.06631	0.4
195.10265	0.2
197.08252	1.9
210.05354	0.4
213.07715	3.8
221.08199	2.5
225.07707	0.4
226.04907	0.9
239.09265	1.4
241.07289	0.5
253.10805	0.5
281.10294	1.2
341.12402	2.9
399.32233	0.2
495.25845	1.3
495.32239	0.4
507.20270	1.1
511.18063	0.4
555.20935	19.4
556.21924	0.3
556.29913	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	2.0
56.70093	0.5
57.03454	0.7
58.00595	3.2
59.01388	100.0
59.23166	0.4
60.99316	2.3
61.71630	0.4
61.98833	0.6
64.17419	0.4
65.31962	0.4
71.01385	43.9
72.99314	3.5
73.02948	0.8
78.75600	0.4
83.01400	1.8
85.02955	9.4
87.00875	2.1
88.98808	11.9
89.02444	49.7
91.05502	0.5
93.03462	2.3
95.01398	3.1
96.96021	2.2
97.03007	0.5
101.02438	24.3
113.02449	16.2
119.03496	22.6
119.04337	0.6
121.02950	31.8
122.03754	1.8
122.25816	0.4
125.02441	1.7
131.03526	2.2
134.03729	0.9
135.04558	0.8
137.02510	1.8
143.03499	3.4
145.03079	0.6
147.04524	3.3
149.02518	1.8
149.04639	2.6
149.06085	0.6
151.04007	0.8
161.04544	3.5
163.04099	0.9
164.04779	1.7
165.02063	0.6
175.04041	4.0
176.04782	15.0
179.05621	7.4
179.07001	0.5
189.78951	0.5
190.06401	0.8
191.07202	3.1
254.06070	0.6
279.06873	0.6
284.10751	2.5
297.07751	6.5
300.10172	2.3
312.10114	15.5
312.13541	0.7
315.09048	0.8
315.12628	2.0
316.09644	0.6
327.12445	31.2
328.12833	0.5
333.09949	4.0
345.13687	2.1
357.13660	2.0
375.14572	6.0
495.15549	1.9
507.18781	29.7
508.19211	0.8
555.21527	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96586	1.2
54.82450	1.4
57.03458	2.5
58.00588	1.8
59.01389	43.6
61.98850	2.3
63.06504	1.1
64.53308	1.2
68.34937	1.4
71.01383	64.0
72.01729	2.8
72.99314	5.4
73.02959	2.0
80.08156	1.3
85.02955	5.5
88.98804	1.6
89.02444	33.8
93.03448	2.7
96.96015	9.1
101.02428	13.9
103.04012	21.4
104.04372	1.8
108.02185	1.4
109.74679	1.2
110.95571	1.3
113.02457	11.6
119.03479	11.1
121.02931	2.1
122.03739	10.1
125.02407	1.7
128.03529	2.6
134.03757	2.3
143.03569	2.1
149.02434	25.8
149.06087	1.8
150.03227	100.0
151.03801	1.5
157.05074	6.8
158.05458	1.4
160.49721	1.5
161.04619	6.3
164.04860	8.3
165.05569	86.5
166.99937	1.9
171.76266	1.4
179.05673	8.8
179.07126	1.9
180.04321	7.9
182.02217	2.0
195.06636	38.2
197.04578	2.8
201.07530	2.0
247.08180	8.1
248.08728	2.3
345.13547	11.3
361.85623	1.6
393.11935	1.7
436.78995	1.5
507.18826	25.4
555.20837	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01155	0.4
59.01395	6.2
65.03963	3.1
67.67091	0.3
71.01392	6.0
73.02930	0.6
81.07095	45.5
83.05018	1.8
85.02927	2.3
89.02425	2.8
95.05010	0.5
96.95994	0.6
101.02427	3.6
113.02425	2.3
119.03482	0.8
125.06072	100.0
126.06490	0.4
138.06866	2.0
139.07593	0.4
144.99449	0.4
149.04590	0.4
150.03288	0.6
151.07663	1.7
152.08417	2.0
153.09213	7.9
161.04527	3.1
165.01968	0.5
165.05620	1.5
169.05089	0.5
176.04820	0.4
179.05573	0.6
182.02219	0.4
193.05043	0.6
195.06700	0.6
197.04572	0.8
203.98721	0.4
205.12335	3.1
223.13402	4.5
312.09869	0.5
345.13541	2.5
345.69965	0.5
375.14655	0.5
385.18723	6.6
438.33899	0.4
480.01379	0.4
507.19220	0.5
511.26117	0.4
555.26538	0.5
555.34143	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2809
Annotation	Tricalysioside K
Peak:m/z	Relative Intensity
55.01909	0.4
57.03481	0.4
57.49282	0.2
58.00615	0.7
59.01394	100.0
59.05727	0.3
61.98845	1.1
71.01394	19.0
72.99330	1.3
73.02956	2.2
74.41365	0.3
78.04947	0.3
83.01411	1.5
83.05046	0.3
85.02959	4.7
87.00888	1.2
88.98829	0.6
89.02449	21.4
95.01419	1.8
99.00906	0.5
101.02441	12.0
108.02174	0.3
113.02457	8.6
116.07062	0.2
119.03510	7.8
121.02999	0.5
131.03487	0.5
143.03603	1.0
149.02496	1.2
149.04642	0.4
149.06024	0.3
150.03218	1.9
159.03049	0.5
161.04581	4.2
164.04936	0.3
165.05592	1.2
168.86824	0.3
175.07573	0.4
179.05620	3.3
239.00395	0.3
258.38809	0.3
273.18701	0.5
285.18756	1.3
303.19720	6.6
315.19867	1.7
331.19373	0.3
390.07315	0.3
405.23410	0.5
460.27582	0.3
465.25836	1.2
476.52191	0.4
477.19565	1.9
495.26053	52.4
496.26721	1.8
519.33234	0.5
555.29425	1.8
584.74890	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2814
Annotation	Tricalysioside K
Peak:m/z	Relative Intensity
52.53519	0.3
55.01891	1.5
57.03461	1.8
59.01392	100.0
61.98845	1.6
62.93420	0.3
64.82060	0.3
71.01389	18.7
72.31744	0.3
72.99335	0.4
73.02956	5.0
77.77639	0.3
83.01407	2.7
83.01865	0.3
85.02962	8.9
87.00888	2.0
89.02449	6.0
95.01396	1.6
97.02950	0.4
99.00891	2.6
101.02447	14.4
113.02450	8.6
115.50717	0.3
119.03539	2.2
125.02425	0.4
133.37654	0.3
143.03575	0.4
159.03082	0.4
161.04558	9.0
161.05885	0.5
162.79414	0.3
163.69574	0.4
178.03441	0.3
179.05696	0.5
250.63818	0.4
273.18808	1.2
285.18735	1.8
301.17984	0.5
303.19626	6.3
317.17725	0.7
331.19107	3.6
333.20758	4.3
405.23154	0.5
465.24933	13.7
466.25226	0.3
495.26053	47.2
496.26563	2.1
509.23895	3.6
539.25397	0.6
555.28455	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	555.2815
Annotation	Tricalysioside K
Peak:m/z	Relative Intensity
55.01890	2.0
57.03461	2.1
59.01388	73.3
61.98835	0.9
66.33235	0.3
68.08416	0.4
71.01384	22.0
71.29774	0.3
72.99311	0.4
73.02945	8.2
75.00871	0.6
80.38261	0.4
83.01396	3.3
84.02164	0.4
85.02953	11.6
86.00111	2.2
86.60269	0.4
87.00877	9.7
88.98815	0.5
89.02448	3.0
92.65023	0.4
95.01391	1.8
95.05042	0.5
97.03037	0.3
97.06579	2.8
99.00890	2.7
100.69212	0.4
101.01778	0.5
101.02438	13.2
101.06105	0.4
111.00941	0.4
113.01659	0.4
113.02436	10.7
121.06601	0.4
123.08133	0.4
129.01945	0.7
138.03148	0.4
143.03477	0.4
149.02432	0.5
149.06097	0.4
149.09807	0.3
150.03270	0.6
151.07637	0.5
151.69347	0.4
153.09190	0.7
159.03036	2.5
161.04572	9.0
164.08650	0.4
165.05608	0.5
183.02670	0.4
195.06668	0.4
235.13438	1.8
285.18637	0.7
297.18616	0.4
302.00476	0.4
315.19736	2.4
317.17599	6.8
331.19214	33.4
333.20758	16.5
345.20950	0.4
405.22867	6.3
495.26093	100.0
496.26529	1.6
507.20261	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2814
Annotation	Tricalysioside K
Peak:m/z	Relative Intensity
55.01899	0.6
56.91780	0.3
57.03450	0.4
58.00605	0.4
59.01387	100.0
60.01757	0.4
61.98842	0.8
71.00987	0.6
71.01382	17.8
71.91249	0.3
72.99316	0.6
73.02950	1.9
79.66129	0.3
83.01395	0.8
85.02942	4.9
87.00890	0.8
88.98826	0.6
89.02441	20.4
93.52342	0.4
95.01398	0.6
99.00880	0.7
101.02439	11.6
113.02442	7.6
115.35884	0.4
119.03496	7.8
119.22757	0.4
143.03571	0.8
149.02481	0.5
150.03247	0.8
158.25093	0.4
161.04573	3.4
165.05565	0.8
167.03627	0.5
174.39459	0.4
175.07686	0.4
179.05573	3.6
203.79874	0.4
215.10580	0.5
285.18631	0.7
303.19705	6.1
312.93301	0.4
315.19684	1.7
326.18674	0.4
331.19168	0.9
333.20963	0.8
465.25269	0.7
495.26056	54.3
496.27008	2.3
555.21704	0.5
555.29169	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	555.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90832	0.3
60.36643	0.3
61.98818	0.4
68.32329	0.3
68.99564	2.2
78.95894	0.6
79.13607	0.3
82.69515	0.3
85.06606	0.4
92.39247	0.3
102.55222	0.3
110.30571	0.3
112.98547	1.4
116.92842	0.6
133.06686	0.4
152.99495	0.3
155.61072	0.3
157.06589	0.4
160.72084	0.4
162.36530	0.4
171.08176	2.1
173.06073	1.6
185.06104	2.7
185.09731	0.5
186.06805	3.5
187.07666	5.9
198.06876	1.3
199.07669	2.4
225.71321	0.4
227.07240	0.4
241.12370	0.6
244.59937	0.4
253.08768	0.5
254.09503	2.5
268.11154	1.7
269.11859	24.3
269.15405	2.7
270.12582	0.6
284.14209	100.0
285.14664	1.5
364.78082	0.4
439.22888	1.9
508.98654	0.4
522.27802	3.5
537.30182	81.3
538.30322	1.7
555.31104	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08541	0.3
50.98051	0.3
58.02985	5.0
59.01376	2.0
60.99324	0.3
61.98829	1.9
71.01379	0.3
72.00876	0.4
73.04070	17.6
74.02471	7.0
80.05043	0.6
84.04509	0.4
85.02938	0.4
85.04044	0.5
89.02428	0.4
97.04079	6.1
98.02474	2.9
98.06101	0.7
99.05625	2.3
101.02427	0.6
104.03507	0.7
111.05656	0.6
112.07671	0.5
113.07180	0.6
114.05613	9.3
115.05132	33.9
122.03699	0.6
125.07185	2.8
127.05107	0.6
127.08780	18.3
129.06735	0.4
129.10339	3.7
130.08720	1.8
132.81715	0.3
137.07156	0.5
139.08780	36.6
140.07185	4.5
140.09045	0.4
141.10367	4.2
143.11867	0.7
145.06273	0.4
149.02440	0.6
150.03255	10.1
151.03578	4.5
151.08728	0.4
152.07193	2.4
153.06740	1.3
153.09200	0.7
153.10355	1.3
155.08286	2.7
155.11920	1.5
157.09839	3.5
165.04172	0.4
165.05574	11.7
166.05904	6.4
166.12405	1.3
167.03387	0.5
167.04672	0.7
167.11877	2.2
168.09019	0.4
168.11382	2.7
169.09843	0.6
171.07764	47.0
172.08153	0.5
181.09752	0.6
181.13399	0.4
183.11363	0.7
186.12444	2.8
195.11530	1.3
195.14999	0.4
197.16611	2.5
199.18141	0.6
201.08830	7.2
208.13478	0.9
209.12978	4.9
210.12541	6.9
211.10939	1.3
212.22202	0.4
221.16542	0.5
223.14531	0.4
225.16095	4.9
228.13528	3.6
238.19308	3.1
240.17142	0.4
250.61899	0.4
252.17181	0.6
254.15132	0.4
254.18785	0.6
255.58009	0.4
256.20361	1.4
280.20358	4.3
284.16003	0.4
323.20804	0.5
342.12704	0.4
342.20407	0.7
353.25278	2.8
395.26572	0.5
397.24576	1.4
410.27606	0.6
422.27640	0.4
452.28671	1.5
464.28897	2.3
469.26642	0.7
482.29672	0.7
496.27795	8.6
497.27615	0.6
508.21127	0.5
508.27618	3.2
526.28851	12.0
527.29163	0.5
538.29010	4.4
556.22009	5.1
556.29919	100.0
557.30115	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	556.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01599	0.1
59.01370	0.3
60.28560	0.2
73.78452	0.2
78.20663	0.2
78.52203	0.2
78.95907	5.2
86.79949	0.2
114.44685	0.2
116.92839	1.0
152.99617	1.2
168.04338	1.3
224.06932	0.7
242.08057	1.8
255.23160	0.3
256.23569	0.2
281.24869	100.0
282.25259	1.7
482.31540	0.3
506.32535	31.6
507.32837	0.4
517.53143	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62820	0.2
57.75389	0.2
61.98847	0.2
66.54891	0.2
72.31508	0.2
72.47514	0.2
75.35886	0.2
78.95902	18.3
91.13683	0.2
96.96975	0.2
105.55128	0.2
152.99605	2.6
168.04344	3.8
213.04178	0.2
224.06944	6.7
242.08028	1.7
273.08704	0.2
281.24872	100.0
282.25226	1.4
506.32562	56.1
507.32751	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98844	7.0
68.60691	6.6
71.01385	14.6
85.02925	14.1
85.53493	7.9
89.02456	11.8
101.02406	15.2
101.86737	7.0
106.11903	6.6
116.98845	7.7
128.03621	8.3
154.75822	6.8
237.66362	6.7
264.20569	7.8
314.11371	8.0
329.13950	13.8
337.68735	7.9
341.14142	9.9
497.27063	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	557.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39244	4.2
59.01389	100.0
61.98827	20.9
63.70243	3.6
64.34764	3.6
65.28812	4.2
65.99884	3.9
71.01384	49.4
72.99332	3.8
73.02971	6.6
85.02946	8.3
89.02438	54.2
94.97688	4.4
96.96011	7.1
101.02450	43.0
107.00227	4.9
113.02441	22.7
119.03506	26.5
121.03018	5.0
161.04578	19.3
166.92027	5.4
179.05643	30.6
184.11288	3.9
277.35419	4.6
283.09787	9.8
309.07663	9.8
311.09137	36.4
326.11548	30.9
339.12369	19.4
341.13913	36.2
440.47018	5.0
481.17236	4.9
496.73468	5.1
497.27753	31.8
521.20374	21.4
557.17517	7.3
557.29938	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	557.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61982	2.0
53.36553	2.2
53.85742	1.9
59.01383	5.7
62.32646	1.9
67.51540	1.9
70.95633	2.0
72.00899	4.3
78.95895	4.5
79.85928	2.4
96.96011	51.1
96.96973	5.5
109.01673	9.7
110.02501	10.4
114.65350	2.1
127.07642	13.8
129.05574	15.6
146.50436	2.3
163.03979	3.7
180.06641	22.0
189.07689	23.9
210.10643	2.5
237.71326	2.2
260.05679	11.3
278.06815	10.4
296.09134	100.0
431.90823	2.3
541.87201	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99655	0.3
52.25333	0.3
55.01884	2.0
57.03440	0.4
57.46680	0.4
59.01382	8.6
61.22623	0.5
71.01382	12.3
72.00910	13.2
73.02939	8.5
73.04066	0.4
74.02470	20.8
83.01372	3.4
85.02948	7.3
87.00887	0.5
89.02441	3.6
89.66776	0.4
91.18146	0.4
91.81230	0.5
92.12392	0.9
95.01384	0.8
96.96021	0.8
99.00870	2.6
101.02436	16.9
113.02440	7.1
116.05056	62.5
117.05397	0.6
125.02445	0.4
126.26250	0.4
126.41646	0.5
130.06624	2.2
130.08746	0.8
132.08147	0.6
142.06627	18.4
143.03502	0.8
152.27481	0.4
159.02974	0.8
159.09270	10.0
161.04584	6.0
177.89204	0.4
186.05643	2.6
203.08290	100.0
204.08604	0.7
218.35048	0.4
221.10347	24.3
233.06700	0.5
244.42078	0.5
255.09299	0.4
310.46478	0.4
315.92450	0.5
352.22983	0.5
353.14569	69.8
354.14673	0.6
357.96719	0.5
359.16559	0.5
405.95105	0.4
435.05450	0.5
497.55191	0.5
522.23688	0.6
557.33051	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64693	0.4
57.03464	100.0
69.44485	0.5
90.97438	0.5
92.11907	0.7
96.47518	0.5
97.06586	79.2
101.02441	56.3
114.09210	0.8
116.07171	27.9
117.07517	5.7
124.75339	0.5
141.09221	19.6
143.83394	0.7
154.44141	0.5
158.01823	0.5
158.07001	1.0
158.08229	22.7
159.08597	7.2
203.02057	0.6
203.09267	20.9
374.05374	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.1
57.03465	0.7
57.47545	0.5
59.01102	1.1
59.01387	22.5
61.98835	0.7
62.32694	0.5
65.03969	1.0
66.62881	0.5
67.54535	0.5
71.01387	12.5
73.02956	1.5
76.57928	0.6
78.95851	0.6
81.07094	33.1
83.01384	1.0
83.05042	0.7
85.02950	4.8
89.02441	11.7
95.01394	1.1
96.96020	5.5
97.06606	0.8
99.00859	1.3
101.02436	10.6
113.02450	4.6
114.96724	0.6
116.02464	0.6
119.03481	5.8
125.06080	100.0
126.06414	0.7
131.03532	0.6
133.10269	0.6
138.03241	0.5
143.03508	0.9
153.09251	1.3
161.04562	3.0
169.71603	0.6
179.05687	3.1
239.09317	0.7
344.12656	1.0
359.15170	6.3
387.20319	54.1
388.20587	0.8
442.20651	0.7
521.20313	1.3
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	Tricalysioside N
Peak:m/z	Relative Intensity
54.71428	0.4
55.01889	4.7
57.03455	3.4
57.49790	0.4
59.01385	41.3
60.01698	0.5
61.98832	10.9
67.57346	0.5
69.03477	0.6
71.01382	29.8
72.99293	1.1
73.02946	11.2
74.14708	0.5
78.95883	0.6
82.46944	0.4
83.01377	6.4
85.02468	0.9
85.02945	17.9
87.00857	2.5
89.02422	4.6
92.12328	0.7
92.65172	0.6
95.01366	3.2
95.04980	0.5
96.96011	6.5
97.02895	0.5
97.06561	2.4
99.00881	4.8
101.02436	29.9
108.32922	0.5
113.02443	14.0
116.92834	0.6
125.02436	0.5
129.71130	0.5
131.03488	0.6
143.03523	1.1
159.02994	3.2
161.04546	10.2
166.06436	0.7
181.08754	0.5
213.14917	0.6
235.13438	0.6
237.14984	2.0
238.12064	0.5
257.97684	0.5
298.35370	0.5
335.22379	3.6
375.20178	2.6
496.26416	0.7
497.27603	100.0
498.28308	3.3
520.79443	0.5
521.25946	9.4
557.30084	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	557.2967
Annotation	Tricalysioside N
Peak:m/z	Relative Intensity
54.87401	0.7
55.01897	5.8
57.03460	2.9
58.00601	0.9
59.01398	45.8
61.98843	22.3
62.47409	0.6
71.01389	31.6
71.65343	0.7
72.99281	1.3
73.02953	11.8
75.00872	1.3
83.01393	5.7
85.02950	14.4
87.00890	1.7
89.02448	10.5
95.01378	3.1
97.06581	2.8
99.00877	4.6
101.02445	30.7
105.01869	1.1
113.02448	14.5
119.03493	3.0
125.02428	0.8
129.01932	1.0
143.03458	0.9
156.69164	0.8
159.02997	1.7
161.04546	9.2
206.75098	0.8
217.66385	0.8
237.15114	1.1
297.31036	0.7
335.22336	7.0
453.22784	0.9
497.27640	100.0
498.28055	4.2
521.26129	3.1
527.22778	1.8
557.30145	1.4
558.12500	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92772	0.2
59.01390	3.4
59.43020	0.2
71.01388	11.0
71.05024	13.9
72.00927	0.4
72.04551	0.4
85.02945	0.3
86.92776	0.3
88.04039	100.0
92.11718	0.7
96.95998	3.0
99.04514	4.8
116.03517	0.4
116.07172	3.0
123.86882	0.3
127.95290	0.2
129.05569	1.4
130.08730	1.1
144.02994	0.5
146.08234	54.1
157.07709	7.7
172.09843	1.0
188.34189	0.3
207.08710	0.3
215.13951	0.4
216.08751	0.4
216.14330	0.3
217.07048	0.3
218.10349	92.5
219.07755	2.3
264.89523	0.3
340.29355	0.3
489.18658	0.3
520.86371	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46904	20.8
54.38417	19.1
56.33454	20.1
59.01376	38.5
61.98820	100.0
66.87453	22.3
69.18890	19.2
76.92085	26.0
82.14095	27.1
162.91684	23.4
175.34846	23.5
216.26648	25.9
257.06235	26.5
303.23190	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70578	0.8
58.17982	0.6
59.01380	0.7
67.43407	0.6
78.95894	17.7
105.26576	0.6
152.99567	3.7
153.56204	0.7
154.73466	0.6
155.04359	0.7
168.04266	1.7
198.14917	0.7
215.23021	0.7
221.27698	0.7
221.67711	0.7
224.06992	9.3
283.26437	100.0
392.36505	0.8
408.53860	0.7
495.75760	0.9
508.34131	61.3
509.34863	1.0
552.66583	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61384	1.2
56.59520	1.6
58.43887	1.4
59.01397	100.0
61.98861	1.2
63.59029	1.2
67.73530	1.4
69.16162	1.4
71.23542	1.2
73.68274	1.4
102.84038	1.4
115.92095	1.8
148.81750	1.3
172.88197	1.3
199.76326	1.7
208.36662	1.4
240.27657	1.7
255.23346	18.0
269.24893	1.7
299.09485	1.7
338.56119	1.6
339.74637	1.4
458.39120	1.7
558.25452	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	5.3
57.03444	2.4
59.01388	63.8
61.98832	8.6
67.06609	0.6
69.03457	0.8
71.01382	37.3
73.02944	12.4
75.00867	0.8
81.03516	0.8
82.34097	0.6
83.01394	6.6
84.02184	0.8
85.02473	0.8
85.02950	20.2
87.00862	1.1
89.02423	3.0
92.36805	0.6
95.01368	3.5
96.96010	1.3
97.02946	0.9
99.00872	5.0
99.04503	1.0
101.02438	31.4
113.02449	15.6
118.96626	1.1
120.12537	0.5
120.58822	0.6
120.69667	0.5
125.02409	0.8
129.01920	1.0
143.03465	0.8
159.03003	3.3
161.04568	14.3
174.99243	0.7
191.53903	0.6
205.16039	1.2
217.00362	2.4
237.18620	1.3
319.22769	1.2
337.20001	0.6
337.23779	2.2
390.14105	0.6
439.07645	2.8
481.28333	7.7
499.29184	100.0
500.29361	3.3
523.35126	0.7
559.31311	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.328
Annotation	Cucurbitacin Q
Peak:m/z	Relative Intensity
59.01375	1.9
61.98822	0.5
78.95889	0.7
168.74724	0.4
174.92673	0.4
184.44498	0.4
216.54326	0.5
311.01303	0.5
395.29608	0.9
409.31448	0.4
437.30649	0.6
453.30423	0.6
455.31735	16.1
455.37878	0.7
499.30725	100.0
500.31128	1.4
517.31793	2.9
521.29065	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82692	0.2
59.01384	3.3
60.00916	0.3
71.00991	0.3
71.01382	11.0
71.05019	16.1
72.00936	0.3
77.57445	0.3
78.95894	0.3
85.02972	0.3
87.00864	0.4
88.04034	100.0
89.02444	1.0
89.04375	0.4
92.12401	0.2
96.96001	1.7
99.04510	5.5
101.02414	0.5
111.00877	0.6
113.02485	0.4
114.05597	0.3
114.85401	0.3
116.03542	0.3
116.07175	3.8
120.01247	0.3
121.02899	0.3
128.07198	0.4
129.05539	1.3
130.08717	0.3
146.08235	55.4
147.08556	0.4
181.05032	0.3
191.01863	0.5
218.10358	94.6
219.10703	1.4
296.08420	0.3
341.09271	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65837	1.4
51.03564	1.5
59.01364	4.1
59.22913	1.5
59.92150	1.5
61.98825	9.6
77.56494	1.9
78.24971	1.7
81.63139	1.7
88.91643	2.0
89.02429	1.9
95.28047	1.7
116.92862	3.8
151.05756	2.0
180.53415	1.6
197.01578	1.9
253.09279	8.5
281.21915	4.0
281.24863	100.0
358.47415	3.0
491.85623	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	560.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55128	1.8
55.40572	1.9
59.01390	2.8
64.34520	1.8
75.31079	2.1
81.57417	1.9
160.74326	2.1
167.60204	2.1
178.95480	2.1
189.89987	2.5
253.09254	11.9
281.24869	100.0
281.27997	3.7
370.48227	2.6
448.39255	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	561.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53644	1.3
56.35252	1.1
59.01105	2.6
59.01385	56.2
60.60710	1.1
61.98838	3.0
62.38808	1.2
62.74292	1.1
64.14389	1.2
64.34530	1.9
66.11462	1.2
71.01386	34.9
71.32970	1.2
72.99297	1.9
73.38806	1.6
74.68019	1.2
83.01382	1.9
85.02968	6.4
89.01940	2.7
89.02446	37.9
95.01381	2.6
96.96007	2.4
99.00880	1.6
101.02452	20.7
113.02438	12.9
119.03485	15.7
121.03045	1.9
122.03739	2.6
131.08215	1.8
134.03697	2.5
149.02411	14.9
150.03233	29.7
161.04607	1.5
164.04875	2.3
165.05566	30.4
171.06659	1.5
173.04494	1.8
179.05666	8.7
179.99048	1.5
195.06622	9.9
272.73843	1.3
282.09012	7.4
297.11435	11.6
403.38425	1.6
477.17630	22.7
525.19781	100.0
526.20227	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	561.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.4
57.03457	0.9
58.00625	2.6
59.01391	100.0
61.98840	1.9
69.03458	0.4
70.60852	0.4
71.01388	52.8
72.94422	0.3
72.99305	3.3
73.02954	10.8
75.00862	0.7
83.01387	3.7
85.02959	10.6
87.00883	2.1
89.02443	70.1
92.11631	0.7
95.01372	2.6
96.95950	0.3
97.02948	1.6
99.00870	13.3
101.02438	32.6
113.02439	15.0
115.04006	0.7
119.03490	15.8
122.92707	0.4
125.02441	2.4
131.03506	4.4
143.03503	2.5
149.04552	12.3
161.04558	4.0
179.05577	7.0
191.05582	4.6
221.06641	0.5
233.06573	0.4
251.07771	0.8
257.39603	0.4
293.08807	0.5
314.62424	0.4
318.73425	0.3
369.19162	1.6
501.23480	79.3
501.30344	4.1
502.23840	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	561.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02961	1.0
61.98833	16.4
71.46355	1.2
73.04064	17.2
73.93167	1.0
74.02072	1.8
74.02471	42.0
78.95895	4.2
80.03963	0.9
87.05646	3.8
88.88176	0.9
103.40074	1.3
112.02763	1.6
118.05076	1.4
126.09180	2.6
130.08719	2.5
141.10323	2.1
141.75554	1.0
143.11897	29.0
152.07191	5.4
152.99608	2.4
169.09789	7.7
169.13443	2.2
187.10956	7.5
200.14064	48.2
220.06831	1.1
226.15675	1.7
226.21776	39.7
266.21323	1.8
270.20883	4.2
278.43503	1.1
279.63654	1.1
283.23892	18.3
410.33978	4.3
436.35233	1.2
454.32886	45.2
498.35522	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	562.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14607	0.3
55.01888	0.3
59.01384	1.4
61.24385	0.3
70.05762	0.3
71.01360	2.6
73.02944	0.7
73.03337	0.3
77.02935	0.3
81.03432	0.4
83.01366	0.3
85.02953	2.3
93.03471	0.5
95.01358	1.4
96.96007	1.9
101.02444	1.3
108.02173	94.5
109.02959	28.1
113.02405	1.0
121.02953	0.8
123.00836	0.6
123.04527	0.5
127.05125	0.4
133.02954	0.3
134.04732	2.0
136.72655	0.3
151.04012	1.4
152.01158	76.8
153.01944	21.7
163.04012	1.8
165.01944	1.8
209.60439	0.3
248.99091	0.3
315.07263	100.0
316.07571	0.7
344.83942	0.4
538.43439	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82362	0.7
55.01875	1.2
57.03449	1.0
58.00595	1.7
59.01386	89.1
64.95253	5.4
64.95559	0.7
71.01381	62.2
72.99290	3.9
73.02954	1.8
75.00852	1.6
83.01391	1.5
85.02956	9.9
87.00883	8.6
89.02438	100.0
95.01393	1.7
97.02927	0.9
99.00876	2.9
101.02433	27.7
111.00890	2.5
113.02445	29.5
114.10013	0.7
115.00372	3.6
117.01935	15.7
119.03490	11.8
119.85727	0.7
123.58426	0.7
125.02412	0.9
129.01941	3.6
131.03505	3.2
133.01422	1.1
135.02977	3.5
143.03485	4.2
145.01440	1.7
149.04561	1.6
155.14066	0.7
161.00980	1.1
161.04553	8.7
179.05629	18.4
179.07129	1.1
196.04942	0.7
221.00711	1.5
221.03079	2.6
221.06691	8.5
241.14417	0.8
290.34973	1.0
323.09839	8.7
326.01263	0.8
341.10779	3.8
503.16254	87.9
504.16388	1.2
550.60083	0.7
563.16235	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99835	0.2
59.01391	1.3
71.01395	1.5
72.00912	0.6
74.02480	1.9
74.96160	0.3
89.02486	0.5
95.01391	2.7
96.96005	0.4
113.02493	0.5
116.05069	3.3
123.00882	36.3
123.04449	0.4
124.01263	0.4
130.08752	1.5
137.02435	1.2
138.03230	66.9
139.03508	0.6
142.06641	1.5
143.11937	0.4
146.17865	0.3
153.05577	24.0
159.09341	0.5
166.99864	12.6
182.02217	54.4
183.02588	0.4
197.04572	100.0
198.04878	1.2
203.08264	4.7
216.81644	0.3
230.08443	0.7
239.05708	0.7
272.11935	2.9
315.16806	0.3
359.09848	19.4
359.15091	4.2
359.19415	1.8
429.41129	0.4
563.25305	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35001	0.4
55.01878	3.4
57.03439	1.9
58.00598	1.7
59.01386	56.4
61.80522	0.5
61.98835	0.7
69.03445	0.6
71.01382	53.5
72.99291	2.0
73.02534	1.1
73.02945	27.3
75.00876	0.6
78.95902	0.7
83.01382	6.4
83.37193	0.4
85.02466	0.7
85.02949	15.5
85.47234	0.4
86.00071	0.4
87.00868	2.6
89.02441	70.1
95.01391	2.4
95.09538	0.5
96.96017	3.2
96.96933	0.7
97.02940	2.0
99.00224	0.9
99.00871	26.2
101.02435	43.4
113.02450	14.4
115.04012	1.9
119.03465	3.4
125.02447	4.6
129.01947	0.6
131.03491	9.4
143.03496	2.9
149.04555	32.6
159.02969	2.9
161.04550	9.6
184.08177	0.5
191.05644	9.2
221.06689	4.7
234.01997	0.5
251.07683	4.6
280.20401	0.5
292.00330	0.5
293.08807	1.0
311.09854	2.5
353.19656	7.5
359.24020	0.6
371.20944	3.9
434.26062	0.5
470.76471	0.5
485.23886	8.4
503.25052	100.0
504.25482	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	563.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70226	0.1
57.03458	2.6
59.01388	0.2
60.03608	0.1
69.03448	0.2
71.01384	0.2
81.03471	0.4
83.05025	7.2
90.84155	0.1
109.06596	1.6
111.08160	73.4
129.09221	4.5
147.22699	0.1
155.07146	0.5
161.04021	0.1
173.08191	100.0
174.08533	0.2
191.49149	0.1
365.84058	0.1
415.72610	0.1
522.14984	0.1
526.40698	0.1
590.53412	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	564.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
61.61110	1.3
78.95901	14.7
104.57484	1.2
152.99599	8.8
162.15564	1.3
187.79015	1.5
279.23303	100.0
292.20670	1.5
359.39700	1.2
504.31036	36.7
524.65118	1.4
539.96490	1.6
542.93439	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	9.4
56.77298	1.1
57.03442	6.9
59.01386	86.8
59.94623	1.2
61.98823	1.6
71.01382	68.4
72.60440	1.2
72.99294	3.4
73.02950	29.6
74.53608	1.3
75.00838	1.4
83.01392	23.4
85.02948	40.2
87.00859	6.8
89.02438	11.4
95.01374	5.4
96.95995	11.8
97.02947	2.1
99.00854	14.2
101.02430	63.1
103.04045	2.1
111.00885	17.7
112.69738	1.3
113.02448	27.7
116.92841	2.2
117.00934	1.5
117.57685	1.4
119.00439	1.3
119.03519	2.6
121.02896	1.7
125.02445	6.6
127.07624	6.7
133.01375	1.3
159.03001	6.0
161.04556	21.3
163.06197	2.2
171.06575	2.7
209.04553	1.5
307.86987	1.6
359.13556	60.0
505.19339	100.0
506.19550	2.3
521.26495	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	565.2429
Annotation	Swietmanin I
Peak:m/z	Relative Intensity
53.53518	0.7
59.01115	1.0
59.01387	21.0
61.98838	8.7
71.01379	6.6
71.65745	0.8
73.02932	2.0
81.03456	0.8
85.02937	1.3
89.02446	11.4
90.99598	0.7
99.00859	3.6
99.32334	0.8
100.35757	0.8
101.02397	5.6
119.03461	1.2
131.03448	1.4
141.01683	4.8
149.04544	4.7
191.05603	0.9
310.57022	1.0
388.25104	1.0
505.25873	1.9
529.26617	24.8
565.24152	100.0
566.24750	2.1
570.24780	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24241	0.5
51.79202	0.5
55.27303	0.5
74.55389	0.5
78.95471	0.9
78.95895	11.1
92.29060	0.5
147.55113	0.6
152.99588	17.8
170.70322	0.7
171.00639	0.8
192.74582	0.6
227.03294	0.9
245.04367	1.2
255.23317	100.0
256.23480	1.2
279.23203	1.4
280.23654	1.2
351.50223	0.7
353.46222	0.6
483.27322	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2847
Annotation	Aristophyll A
Peak:m/z	Relative Intensity
57.62595	0.4
59.01381	0.5
61.98829	1.6
63.39353	0.3
69.19315	0.3
73.98073	0.3
79.95732	6.2
95.95223	2.4
96.95415	0.7
96.96007	15.4
99.74422	0.3
108.64834	0.3
113.12984	0.4
121.70364	0.4
219.06992	0.5
323.13275	1.8
349.14856	3.4
364.17194	2.1
365.17850	2.9
379.19424	1.4
423.32849	1.9
467.31161	0.9
491.24741	0.7
505.26419	10.8
521.29541	2.5
565.28467	100.0
566.29016	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	566.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85409	0.1
58.59687	0.2
59.01379	1.4
61.98832	100.0
71.01378	0.9
73.02945	0.3
76.07709	0.2
76.57610	0.2
84.82923	0.2
85.02946	0.3
89.02444	1.1
92.11646	0.2
97.30099	0.2
101.02446	1.0
139.79097	0.2
149.04462	0.2
203.55499	0.2
259.77338	0.2
288.03326	0.2
314.07498	0.2
336.82385	0.2
419.11658	0.2
505.27231	0.3
506.26929	1.0
519.52734	0.2
588.66339	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63210	0.5
54.82860	0.7
61.98842	1.1
75.09202	0.6
75.25666	0.8
78.95470	1.1
78.95904	16.9
85.91827	0.7
92.53195	0.7
111.33781	0.7
113.68764	0.8
146.62610	0.7
152.99600	7.0
168.04353	0.8
178.94247	0.9
194.93785	2.8
244.68248	0.8
268.97415	3.6
281.24863	100.0
290.49335	0.8
506.32471	32.4
528.19373	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81425	0.3
51.07274	0.4
52.58101	0.4
59.01387	8.1
68.90477	0.3
71.01385	5.2
72.99339	0.4
73.02945	0.5
75.46394	0.4
78.95904	0.5
83.01387	0.5
85.02954	1.0
87.00857	0.5
89.02451	5.1
93.03431	0.5
94.02116	0.4
96.95984	2.4
96.96961	0.7
101.02427	2.7
107.05036	24.6
113.02429	0.8
119.03496	0.9
121.02964	5.5
122.78664	0.4
125.06097	0.6
135.04539	5.7
143.03551	0.5
147.00899	0.5
151.04047	2.7
166.02769	1.8
167.03430	0.9
179.03513	100.0
180.03984	0.5
181.05156	0.6
183.10280	0.7
228.32954	0.5
235.06177	0.7
243.12529	0.7
267.09967	0.4
267.17657	0.4
323.52261	0.5
348.46805	0.4
360.12036	0.5
387.14600	2.1
387.20044	0.8
405.15414	0.9
408.54996	0.5
507.22028	0.5
523.26978	0.6
567.28491	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	567.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54315	0.2
58.18197	0.2
59.31963	0.2
61.98852	0.3
63.77476	0.2
76.95953	0.2
78.95904	1.5
159.04518	0.4
172.89047	0.4
173.06087	1.6
186.06856	0.2
206.05907	1.1
212.08484	1.9
213.09276	0.9
225.09248	4.1
226.09857	0.3
239.07278	0.3
239.10847	1.7
240.07857	0.9
240.11606	2.6
246.92744	0.4
252.07835	0.3
253.08725	12.6
267.10278	6.2
268.11072	87.1
269.11514	1.8
283.13419	100.0
284.13599	2.0
391.08234	0.2
567.27570	41.8
568.27734	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82231	0.4
55.01875	3.8
57.03455	1.1
59.01385	22.8
61.98828	5.3
69.03475	0.5
71.00984	1.1
71.01379	32.2
72.99296	1.0
73.02946	15.4
73.66929	0.4
75.00880	0.7
78.56329	0.5
83.01378	6.6
85.02945	16.1
86.00070	0.6
87.00877	2.2
87.58024	0.4
89.02434	9.3
95.01375	2.0
96.96011	6.5
97.02951	1.9
99.00858	5.6
101.02431	28.6
110.30954	0.5
111.00871	0.5
113.02442	14.7
115.03997	0.8
117.20393	0.5
119.03474	0.7
125.02407	2.0
131.03519	0.6
143.03496	0.7
158.40134	0.5
159.02991	2.6
161.04581	6.7
166.02707	7.9
167.03484	1.2
168.04295	1.7
181.05086	3.3
183.06534	0.6
195.06578	1.0
203.55847	0.5
209.08185	0.6
214.47983	0.5
218.19824	0.6
233.06604	0.9
287.49240	0.5
327.08661	0.6
333.28708	0.5
343.10544	3.4
349.01013	0.5
375.23886	12.8
405.15674	0.7
457.58658	0.5
489.72437	0.6
507.28137	100.0
508.28882	1.6
543.99731	0.5
567.22559	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29831	0.3
56.97203	0.4
59.01389	0.4
59.43694	0.4
61.10458	0.4
61.98827	0.5
68.74133	0.3
75.35477	0.4
78.95898	5.5
98.02434	0.8
136.93315	0.4
152.99580	2.4
170.89320	0.7
176.70544	0.5
194.93788	0.9
255.23389	2.1
267.23169	0.6
268.23566	0.6
268.97516	0.7
281.24918	3.4
324.25278	0.7
393.31711	0.5
471.34830	100.0
472.35202	4.8
473.35461	0.5
483.27274	0.5
509.28952	1.6
566.59058	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06053	0.3
56.61058	0.3
59.01389	100.0
59.53371	0.3
61.98840	0.4
65.90021	0.3
71.01389	0.8
76.44296	0.3
76.57559	0.4
89.08369	0.4
98.60449	0.4
99.64555	0.4
140.12668	0.4
142.76515	0.4
161.04538	0.5
218.36516	0.3
279.23312	20.8
293.24869	0.9
296.10892	0.4
311.29456	0.4
590.19800	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01110	0.6
59.01387	15.6
61.98832	1.0
63.24587	0.4
67.10114	0.5
77.14551	0.5
78.95901	17.3
92.11659	0.9
119.64069	0.5
120.68897	0.6
152.99611	3.5
168.04318	3.5
189.66000	0.6
224.06929	7.4
242.07986	1.3
269.24869	100.0
270.25162	0.7
494.32547	55.1
506.12476	0.6
518.72113	0.7
539.58594	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50806	0.2
59.01402	1.6
63.40618	0.2
71.01368	0.9
72.00533	0.3
72.00909	5.9
73.02961	2.2
74.02071	0.4
74.02473	8.2
84.25802	0.2
88.03146	0.2
89.02421	0.3
96.96015	0.9
101.02439	10.7
101.52283	0.2
102.05589	0.2
114.05627	2.0
116.05066	27.4
117.05399	0.3
130.06598	0.8
132.08244	0.2
139.07607	0.2
142.06622	7.7
157.07718	0.2
158.06192	0.4
159.09297	8.3
161.04597	0.5
183.09242	1.7
186.05646	1.1
203.08293	100.0
204.08629	2.1
215.08354	0.3
225.10416	0.3
227.10516	0.4
227.14029	5.0
245.09311	1.9
275.10419	16.6
276.10724	0.3
287.10468	1.1
305.11392	0.5
317.11389	1.4
352.88983	0.2
365.13602	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	569.238
Annotation	Tiegusanin I
Peak:m/z	Relative Intensity
57.57268	0.9
59.01391	20.9
61.98820	1.0
70.81210	0.9
71.01388	10.8
73.02930	1.1
80.31322	0.8
85.02971	1.0
89.02052	1.0
89.02451	16.1
92.12366	2.2
101.02459	10.8
113.02420	6.2
119.03490	7.8
133.15063	1.0
146.06049	1.1
148.03081	1.2
161.04581	1.3
178.80435	1.3
179.03532	3.9
179.05609	10.3
194.05843	5.2
209.08167	1.5
212.16078	1.0
275.83682	1.1
351.08640	1.8
402.43527	1.2
433.06000	1.0
533.19208	1.9
533.26184	47.6
534.26239	1.0
569.23773	100.0
570.24652	1.6
574.05554	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01104	3.6
59.01383	66.6
61.98828	13.0
66.75755	2.7
71.01374	48.2
72.95958	2.7
72.99297	4.0
73.02927	5.4
78.59330	3.0
79.42986	2.9
83.01347	3.4
85.02934	13.1
87.51254	2.9
89.02442	42.8
91.56077	2.5
92.12416	8.6
100.77143	2.9
101.02448	25.1
112.51582	2.9
113.02446	15.4
119.03458	14.7
136.01613	3.4
144.09811	3.2
150.03209	6.9
151.04039	4.8
161.04535	15.0
161.05911	3.4
179.05597	26.6
179.06985	4.1
221.06622	30.6
263.07727	17.5
329.17630	5.3
389.18332	3.3
507.20218	7.0
509.23898	81.7
533.25824	58.1
569.23798	100.0
570.23846	4.1
591.88446	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38997	0.1
54.83011	0.1
55.01881	0.2
59.01141	0.1
59.01387	2.1
66.73978	0.1
71.01399	1.3
73.02941	4.2
75.00860	0.6
83.05006	0.2
85.02935	0.1
87.00896	0.3
89.02433	1.0
92.11649	0.2
92.95209	0.1
97.27097	0.2
99.00867	1.5
99.92572	6.2
101.02416	0.6
113.02444	0.2
114.93423	0.1
116.03520	0.1
116.07162	1.1
116.92855	100.0
116.97158	0.9
117.01935	7.0
117.05526	0.5
117.92821	1.3
119.03458	0.2
120.68130	0.1
149.02440	0.3
150.03230	1.1
165.05605	0.7
169.41649	0.1
171.65190	0.1
179.03465	0.2
216.00349	0.2
451.33075	0.8
487.30502	0.2
509.30035	0.2
521.19952	0.3
569.28528	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80833	0.4
52.46189	0.5
54.23123	0.4
59.01372	0.5
61.98818	0.7
97.53516	0.4
116.07526	0.4
129.39500	0.5
387.43454	0.5
409.31616	0.5
451.75320	0.5
487.34344	100.0
569.34705	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.2
63.96900	0.2
65.29089	0.2
68.27496	0.2
71.01380	0.3
72.99314	1.0
76.54375	0.2
89.02437	0.5
90.78322	0.2
91.05527	49.3
92.05850	0.3
93.03443	0.4
96.95998	1.1
101.02437	0.3
111.08195	0.3
115.00398	0.3
121.29811	0.3
123.04517	1.9
124.04855	0.4
128.03523	0.3
128.63911	0.2
133.01419	0.3
135.04527	6.2
137.02420	0.6
138.02841	0.4
150.03206	1.2
151.04024	4.1
152.04433	1.4
163.04010	100.0
164.04445	1.3
165.05553	0.9
166.05971	0.3
167.03604	0.3
190.05112	11.3
196.03639	1.5
197.04114	0.4
260.20752	0.2
342.10422	0.3
360.11755	0.3
407.13461	0.9
408.13864	1.8
570.18872	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	570.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31927	0.3
57.07512	0.4
59.01382	5.1
61.98838	100.0
71.01392	3.8
73.02952	0.7
83.01408	0.6
85.02958	1.9
87.73197	0.4
89.02467	1.7
101.02446	1.7
113.02499	0.6
119.03495	0.6
121.79653	0.4
135.20630	0.5
165.05412	0.5
180.10393	0.6
190.88509	0.5
199.13474	2.9
343.17978	0.6
355.20007	0.8
361.18765	3.9
507.24487	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	570.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91984	0.2
54.82727	0.3
58.02976	1.4
59.01379	1.4
60.44563	0.3
64.64512	0.3
71.01362	0.5
89.02448	0.3
96.96003	12.4
98.95594	1.4
113.63922	0.3
114.09238	11.1
116.07172	100.0
117.07530	0.6
123.99458	0.3
128.03482	0.6
130.08699	0.6
130.46297	0.3
140.10878	0.3
143.07170	0.6
143.78256	0.3
145.45425	0.3
158.08218	26.5
163.04030	0.7
177.01926	1.7
178.02299	1.4
184.09767	1.9
198.25163	0.3
201.07713	0.6
202.10876	60.2
203.09285	0.6
265.34406	0.3
323.13461	0.4
367.15796	0.4
472.11685	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24266	0.2
59.01151	0.3
59.01394	3.9
59.51887	0.2
61.98830	0.4
63.20029	0.2
69.54845	0.2
71.19439	0.2
87.36295	0.2
99.43129	0.2
148.77449	0.3
185.99718	0.3
220.96832	0.3
332.44327	0.3
437.34262	2.6
497.36392	100.0
498.36777	1.6
507.49033	0.3
571.30133	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.0889
Annotation	dimeric 9-hydroxyrubrofusarin-fuscofusarin
Peak:m/z	Relative Intensity
61.98829	1.3
87.00864	5.5
88.66836	0.8
90.59242	0.8
104.02694	11.2
114.39912	1.1
119.05033	7.2
129.05606	1.5
135.09470	1.0
145.03029	1.4
147.04509	1.2
148.01671	12.0
176.01155	100.0
177.01938	7.9
191.03517	46.7
238.02730	3.9
250.02692	1.5
266.02191	10.7
269.00864	1.0
277.01358	1.6
278.02197	4.3
292.03586	1.3
293.00989	2.0
294.01672	9.9
302.87128	1.0
309.04004	12.6
321.00433	2.3
327.05133	1.7
336.02652	5.9
337.03403	1.3
338.06052	1.3
351.05017	1.6
354.05420	1.4
366.05203	1.0
370.04959	1.1
382.04825	1.8
410.04266	1.7
437.02704	1.1
454.03455	1.7
467.07251	1.3
469.05698	6.7
471.55652	1.1
496.04520	2.0
497.05267	13.4
511.06879	2.1
512.07294	6.5
527.09729	8.8
556.06488	1.5
571.08862	79.4
572.09406	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	571.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01071	0.2
54.28048	0.2
54.71914	0.3
59.01394	0.7
67.01890	2.6
69.03458	5.0
69.18389	0.2
71.01385	0.4
76.74996	0.2
79.05557	0.3
80.02702	0.3
81.03458	4.1
83.05036	0.6
85.02991	0.3
87.00898	0.4
93.03471	1.3
95.01386	2.8
95.05031	5.7
96.95966	0.3
97.02951	14.7
97.06575	0.4
101.02460	0.4
108.02158	1.3
109.02923	2.2
111.02000	0.3
111.04527	4.1
122.03709	1.4
123.04517	63.4
124.04831	0.5
135.04526	1.4
151.04068	1.3
153.05576	100.0
154.05937	1.8
167.03494	0.6
195.03012	0.3
197.04568	52.5
198.04819	1.0
213.16461	0.3
221.66537	0.3
228.97597	1.0
229.07161	12.3
245.03705	0.3
313.42603	0.3
343.13318	0.3
499.27185	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11194	0.4
53.87664	0.4
63.33049	0.3
71.50414	0.4
76.22475	0.4
78.95899	74.0
89.02824	0.5
96.02367	0.4
96.96957	19.2
113.55450	0.4
116.92825	0.8
134.98566	0.5
139.15179	0.5
146.87004	0.4
150.98024	0.7
152.99588	79.9
156.83823	0.5
223.00133	2.3
240.98677	0.7
241.01192	34.9
255.23309	93.5
256.23608	1.1
259.02335	0.5
315.04919	9.6
391.22470	4.1
409.23630	2.9
571.28918	100.0
572.29358	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	571.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78092	0.3
59.32321	0.4
64.73857	0.3
66.68040	0.3
71.90441	0.4
78.95899	74.1
85.36507	0.4
96.96951	18.9
134.98479	0.5
150.98016	1.7
152.99590	75.5
171.00615	1.6
196.23932	0.4
217.22008	0.4
223.00110	2.6
237.22191	0.4
241.01207	28.1
244.72943	0.4
255.23312	84.5
256.23615	2.0
259.02292	0.9
315.04865	7.0
331.42438	0.5
391.22595	4.4
409.23795	1.9
421.20599	0.4
511.27042	0.5
571.28955	100.0
572.29315	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	571.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71026	2.1
52.05718	2.4
57.03450	2.5
58.18690	2.4
58.18970	2.7
59.01385	53.0
61.98835	100.0
71.01370	27.3
73.02943	5.5
75.00864	4.4
85.02953	14.4
87.00866	3.8
89.02437	13.0
96.96030	10.8
99.00860	3.1
101.02435	20.0
113.02466	18.7
114.58808	2.6
116.10622	2.5
119.03528	3.0
131.03470	3.9
143.77650	2.8
161.04576	14.2
170.30394	3.0
173.14334	2.6
221.06702	24.6
256.17444	2.9
289.18027	20.8
453.49933	2.7
507.24695	3.8
508.24850	27.7
511.25360	35.5
535.31348	80.9
571.29065	84.4
572.16803	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	571.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99753	0.1
51.13524	0.1
55.66071	0.2
59.01384	2.2
60.01727	0.2
61.98834	100.0
72.87988	0.1
75.71737	0.2
92.92797	0.2
99.92584	0.1
115.07701	0.2
116.92828	0.2
170.17046	0.2
174.16936	0.2
218.62604	0.2
227.20256	0.2
228.20630	0.3
277.02280	0.2
286.44174	0.2
337.64752	0.2
364.50949	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45930	0.2
59.01384	0.2
61.98843	0.3
75.65621	0.2
78.95904	2.4
79.89778	0.1
96.96939	0.4
112.13161	0.2
112.20776	0.2
116.92821	0.2
129.65564	0.2
145.75591	0.2
152.99571	1.6
157.12341	100.0
158.12711	0.8
223.00194	0.3
241.01302	0.3
252.67555	0.2
255.23219	0.3
571.29022	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86153	0.4
55.24043	0.4
59.91813	0.4
64.34160	0.5
67.54211	0.5
84.84641	0.4
109.79994	0.6
109.96825	0.5
199.93097	0.5
241.21754	100.0
242.22118	2.5
393.53183	0.5
471.07495	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.7
60.92447	0.3
71.01382	11.1
71.05019	16.0
72.00916	0.4
80.47123	0.3
81.59630	0.3
88.04034	100.0
92.11619	0.4
92.51126	0.3
99.04520	3.5
107.28956	0.3
116.07181	2.8
129.05598	0.7
146.08238	51.7
149.72580	0.4
178.13278	0.3
198.35141	0.3
218.10352	93.9
258.46048	0.3
304.32294	0.4
396.38171	0.4
492.28622	0.4
571.47839	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	8.7
55.98162	5.5
59.01382	100.0
61.98832	11.0
70.30283	6.2
71.01398	55.3
74.02466	14.6
75.29960	6.7
76.25108	6.7
76.64676	6.1
85.02938	15.8
87.05673	8.0
88.04017	13.0
89.02434	30.1
96.00895	15.3
96.95990	41.7
101.02446	26.0
101.58019	6.1
113.02399	10.8
113.03548	8.0
121.02966	7.8
122.03804	6.4
125.06015	7.1
130.08693	8.0
131.04623	10.6
149.02470	26.7
150.03276	13.4
151.04041	9.2
163.03998	9.3
165.05525	24.5
200.14061	15.8
221.06685	9.7
221.49239	7.1
258.01462	7.6
273.18546	14.6
312.09927	10.5
324.12094	14.1
327.12286	45.5
345.13431	25.3
354.13235	12.5
375.14600	34.6
415.21490	8.0
453.25034	13.4
494.22388	9.1
513.24152	32.3
537.19995	29.6
555.28192	53.0
573.17285	8.6
573.29193	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50723	2.5
58.00596	2.9
59.01112	4.3
59.01389	100.0
61.98817	12.6
64.87213	3.2
68.85613	2.6
69.10810	2.7
71.01389	62.1
73.02945	5.4
75.00854	3.5
78.45486	2.7
81.15089	3.0
85.02946	12.7
89.02442	53.8
92.11712	6.1
95.01386	3.0
96.96010	12.4
101.02442	26.4
106.92101	2.9
108.32895	2.7
113.02430	15.8
119.03473	21.0
121.02975	5.0
127.07616	2.9
137.02402	6.3
149.02441	14.4
150.03246	15.4
152.07077	3.6
159.03157	3.0
161.04581	12.3
164.04768	11.7
164.06122	3.8
165.05539	19.3
177.01947	15.5
179.05687	27.3
179.07011	4.7
195.06670	7.4
284.06757	3.4
312.09943	3.5
327.12393	18.1
409.98584	3.2
511.23901	4.0
513.27222	33.9
537.19879	21.1
573.29669	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	573.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81135	0.2
56.63453	0.3
57.03456	0.5
58.00599	0.4
59.01387	11.0
66.67909	0.3
67.45477	0.3
67.45874	0.2
71.01380	13.3
72.00907	16.1
72.99297	0.3
73.02955	1.7
78.95888	0.3
83.01385	0.6
85.02942	4.2
87.00884	0.4
89.02437	12.6
91.05540	1.1
92.12234	0.9
95.01408	0.5
96.96022	0.3
97.02940	0.6
99.00884	1.2
101.02433	6.9
105.19798	0.3
111.00880	0.4
113.02444	8.6
117.07111	0.3
119.03485	1.5
125.02460	1.5
130.08728	1.0
141.53641	0.2
143.03535	1.8
143.11848	0.4
144.08162	2.7
147.04526	54.6
149.04510	0.3
149.06084	1.2
161.04556	4.6
163.11005	0.2
164.07173	100.0
165.07462	0.4
179.05630	3.9
187.10869	1.2
206.08249	2.7
221.06671	1.1
223.02589	0.3
231.13461	1.0
236.09355	1.8
243.93083	1.5
246.09654	0.9
306.07538	0.3
323.09912	9.6
326.12250	0.4
408.15161	27.0
536.03662	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3057
Annotation	13beta,29-Dihydroxymilbemycin A4
Peak:m/z	Relative Intensity
53.99450	0.7
59.01396	16.1
61.98840	11.0
62.25240	0.7
71.01395	11.6
72.19032	0.9
72.99327	0.8
73.02948	2.1
83.01395	1.1
85.02948	5.6
89.02438	9.8
92.12391	1.0
96.95995	1.3
99.00876	1.2
101.02460	9.9
113.02432	5.9
113.07257	1.0
119.03480	1.9
121.03016	1.1
128.03529	1.1
130.08746	1.2
135.25552	0.9
149.02472	4.9
150.03232	10.5
161.04532	1.9
163.04045	0.9
164.04855	1.6
165.05595	8.6
166.06285	1.4
167.90605	1.1
179.05667	1.8
179.07133	1.1
195.06682	6.0
231.16074	10.7
273.18921	1.3
278.32495	0.9
305.16141	10.5
319.17896	1.0
513.27423	8.4
525.21417	1.4
531.96277	0.9
535.27661	1.9
537.19952	1.5
537.32910	36.7
552.74115	1.0
573.30621	100.0
574.31464	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.2
57.80021	0.1
58.00598	0.1
58.96714	0.1
59.01388	22.1
68.99827	0.1
69.03446	0.2
71.01384	3.7
72.99275	0.1
73.02953	0.9
76.17352	0.1
78.95903	0.8
83.01395	0.5
83.04989	0.1
83.37995	0.1
85.02959	0.8
87.00883	0.5
89.02443	3.8
89.02966	0.2
95.01360	0.2
97.02972	0.2
99.00876	0.2
101.02446	3.8
107.06773	0.1
113.02450	1.8
116.92860	2.5
119.03500	0.8
124.80327	0.1
125.02393	0.2
136.48895	0.1
136.60854	0.1
143.03549	0.3
152.99573	1.3
161.04585	1.3
179.05586	0.3
233.22792	0.6
235.08206	1.1
253.09320	11.8
254.09377	0.1
256.23676	0.2
259.20721	0.2
275.20102	0.2
277.21747	100.0
278.22015	1.6
413.22433	0.1
491.19611	0.1
513.30664	0.1
573.29553	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21347	0.1
55.01881	0.2
59.01385	17.0
65.48875	0.1
71.01379	3.0
73.02930	0.7
78.95902	0.2
83.01374	0.3
85.02942	1.1
85.12287	0.2
87.48803	0.2
89.02434	2.9
95.01370	0.2
101.02434	3.4
108.04528	0.2
113.02436	1.2
116.92854	1.2
119.03461	0.7
121.07088	0.2
143.03452	0.2
151.09088	0.2
152.99585	0.3
161.04565	1.3
177.18082	0.1
179.05595	0.3
235.08096	1.4
253.09290	12.0
259.20670	0.3
275.20334	0.4
277.21729	100.0
278.21957	1.9
433.54056	0.2
595.25671	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17500	0.2
56.75915	0.2
59.01389	0.3
65.04095	0.2
71.01374	0.5
71.05028	8.3
71.85469	0.2
72.00926	1.7
72.99316	0.5
84.04544	0.3
86.02484	5.5
87.00863	2.5
88.04064	0.2
96.96012	1.1
96.96973	0.5
98.06140	0.3
99.04530	2.3
102.05584	0.3
104.03539	74.3
109.01730	0.3
116.07177	3.2
126.09246	0.3
128.03513	0.2
128.07202	0.4
129.05550	0.5
132.03053	2.0
140.40654	0.3
142.05095	1.2
146.08238	9.3
147.06575	0.4
148.04411	1.7
158.08226	1.2
160.02620	0.3
188.09291	6.1
190.05473	2.7
196.06174	0.4
214.07317	0.2
232.08310	2.0
233.10240	0.3
234.09846	100.0
235.10187	1.5
288.10001	0.2
496.82031	0.3
558.27435	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92758	4.8
57.03454	7.6
59.01384	100.0
61.98838	67.5
71.01377	48.9
73.02945	9.2
74.02475	6.7
85.02936	14.7
88.98785	6.6
89.02432	56.9
96.96001	12.2
97.06580	7.2
99.00836	7.3
101.02438	27.8
113.02450	12.7
119.03466	8.3
125.02431	6.0
125.09705	14.0
143.03596	6.5
149.02419	8.0
150.03204	33.2
159.06598	6.8
165.05585	14.9
167.03589	8.0
179.05623	11.7
187.09753	24.4
195.06734	7.1
220.11514	6.4
278.40491	6.2
329.14069	10.6
368.23923	6.6
413.42859	7.2
515.28320	10.0
539.21362	62.5
566.49524	7.4
575.18579	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	575.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82413	0.7
57.11880	0.6
59.01139	0.7
59.01389	9.6
60.16235	0.6
71.01387	10.1
73.02934	4.3
75.00862	0.7
82.21432	0.6
83.01391	1.1
85.02946	4.4
89.02430	7.7
99.00867	2.6
101.02427	4.8
102.26623	0.6
104.79124	0.7
113.02438	1.5
115.03980	1.0
125.02427	2.7
148.05312	100.0
161.04581	1.1
163.07646	59.1
164.07994	0.8
196.95146	0.8
219.08800	0.8
233.06668	1.7
269.04401	0.7
293.08908	4.8
351.13016	6.5
383.17184	3.1
463.21411	0.7
465.26712	0.8
515.21338	39.1
515.28156	2.1
541.91931	0.8
586.68793	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.2
58.68895	0.2
59.01379	1.0
60.99310	1.0
61.98837	1.3
63.20594	0.2
69.03456	0.5
71.01374	0.2
83.05025	1.0
87.00903	0.3
88.98802	4.7
89.02454	1.6
93.03432	0.3
95.05025	11.0
96.96005	0.3
97.06583	66.7
98.06949	0.3
115.07644	23.2
127.07677	0.3
131.07152	0.3
141.05609	2.9
159.06631	100.0
160.07010	1.1
165.01840	0.2
176.01173	1.0
184.27417	0.2
185.18625	0.3
191.03516	1.3
239.21326	0.2
256.73441	0.2
264.39166	0.3
268.28760	0.2
341.84738	0.3
388.40762	0.2
525.60974	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3214
Annotation	2',3'-O-methyl-rhamnosyl tetracyclic spinosyn pseudoaglycone
Peak:m/z	Relative Intensity
51.62073	0.8
54.14638	0.9
59.01384	16.5
61.98574	1.3
61.98839	16.7
64.34651	0.9
71.01382	12.6
73.02947	3.9
76.32925	1.2
82.95403	1.2
83.01379	1.1
85.02947	2.4
86.81040	1.2
87.00880	1.0
89.02441	9.3
92.12407	1.2
96.96064	1.5
101.02408	9.1
113.02444	4.6
119.03507	2.4
155.10851	1.9
161.04654	1.3
172.84615	1.3
179.05676	1.6
275.12125	1.0
277.45529	1.2
353.22852	1.3
413.21582	3.6
440.63660	1.1
453.06796	1.1
515.28229	9.8
537.32977	5.7
539.34406	32.0
539.42352	1.3
575.32190	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	575.3214
Annotation	2',3'-O-methyl-rhamnosyl tetracyclic spinosyn pseudoaglycone
Peak:m/z	Relative Intensity
54.82856	1.2
59.01383	10.6
61.98835	18.1
64.27660	1.4
65.45666	1.7
65.74915	1.4
71.01372	6.4
76.77090	1.4
85.02927	2.3
89.02431	6.0
93.91145	1.3
96.95959	4.9
97.01822	1.5
97.88074	1.4
101.02426	5.6
113.02434	1.8
114.62231	1.4
119.03481	1.8
121.02963	2.3
129.02283	1.4
190.99979	1.4
206.02188	1.7
221.04556	2.3
318.00616	1.5
377.28882	2.0
514.27289	1.7
537.32867	2.5
539.34497	37.4
575.31940	100.0
576.32068	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	576.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85976	0.1
54.00069	0.1
57.06985	0.1
59.01390	0.8
61.98835	100.0
66.01193	0.1
78.95898	0.9
116.92880	0.2
152.99597	0.2
163.97652	0.1
174.52740	0.1
253.99971	0.1
277.21747	1.4
278.22089	1.6
279.22348	1.2
280.22803	0.4
321.22095	0.1
439.46979	0.1
575.60840	0.1
579.16028	0.1
585.99982	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	576.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71763	0.1
59.01395	0.5
59.27710	0.1
61.98843	100.0
73.60764	0.1
77.58804	0.1
78.95918	0.4
91.03156	0.1
112.36004	0.1
152.99574	0.1
219.31528	0.1
277.21939	0.5
278.22006	0.9
279.22491	0.5
280.22824	0.2
280.52167	0.1
313.53354	0.1
400.17200	0.1
443.21359	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	576.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	21.5
76.57500	0.2
78.95903	7.7
83.05011	0.2
123.58820	0.2
127.07588	0.2
152.99593	2.0
168.04305	2.0
224.06992	1.4
233.22687	0.2
242.08014	3.0
259.20792	0.8
275.20059	0.3
277.21741	100.0
278.21960	1.8
440.03940	0.2
502.29486	34.5
503.29785	1.1
577.26855	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68896	0.2
59.01387	28.3
71.01360	0.3
76.51311	0.2
77.62764	0.2
78.95901	30.2
96.95965	0.2
96.96962	0.5
99.35078	0.2
109.26203	0.2
122.98543	0.4
132.44527	0.2
152.99573	4.1
168.04324	5.2
224.06953	12.2
242.08014	2.6
265.14844	0.3
275.20273	0.3
277.21735	100.0
278.22086	2.5
458.83725	0.2
502.29474	69.9
503.29834	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	577.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	17.4
59.01371	1.4
61.98826	0.7
65.34928	0.7
71.01390	1.1
73.02930	0.8
81.03444	4.4
83.01395	6.2
89.02436	0.9
93.03458	2.9
93.42168	0.6
95.05022	3.0
95.25666	0.7
96.96018	0.9
97.02940	6.6
101.02399	0.7
105.03512	0.9
107.05030	1.0
109.02951	30.3
115.00351	3.4
117.03458	0.9
121.02930	4.3
122.03696	1.0
123.04515	20.3
125.02439	100.0
130.45764	0.7
131.04994	0.7
133.01436	3.3
133.02934	7.4
135.04510	3.5
137.02444	23.9
139.04068	5.0
145.02934	1.3
146.03738	1.0
147.04529	1.2
149.02420	7.5
150.03247	3.4
151.02962	1.2
151.04025	15.3
154.75557	0.7
159.04524	3.4
160.05374	1.2
161.02449	26.4
161.06058	5.8
162.03191	1.6
163.00349	1.4
163.03967	4.7
164.01192	6.0
165.01944	6.9
167.03499	1.2
173.02368	1.2
173.06056	2.9
175.04008	15.0
175.07681	1.5
177.01941	7.3
179.03514	5.3
179.50119	0.7
183.04520	1.1
185.06039	1.3
187.04028	10.6
188.04851	4.2
189.05498	1.0
202.06418	1.4
203.03564	1.1
203.07169	12.6
205.01453	2.8
205.05058	10.5
211.04073	3.5
213.05513	1.4
214.02704	0.9
217.05080	1.7
221.08310	3.0
225.05606	0.9
227.03629	1.5
227.07132	2.6
228.04176	1.3
229.05051	3.3
243.02998	3.1
245.04564	5.1
245.08215	13.3
247.06044	1.4
253.05106	1.3
255.03098	9.8
256.03763	4.8
257.04620	1.7
269.04495	1.6
273.04059	3.8
281.04544	4.2
283.02606	1.5
285.04025	3.1
287.05719	7.3
289.07236	55.1
297.04001	0.8
299.05591	4.2
329.06445	1.5
339.08829	4.1
381.09833	1.2
407.07748	50.2
425.08820	20.6
451.10422	11.5
559.12952	0.8
577.13544	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	577.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31881	0.6
50.69372	0.5
53.21340	0.5
55.01878	2.0
57.03459	0.8
58.00593	2.9
59.01393	100.0
61.98824	3.7
66.31171	0.5
71.01389	50.4
71.14721	0.5
72.99307	4.9
73.02944	3.7
83.01379	3.3
85.02949	13.4
87.00878	2.5
88.22176	0.5
89.02444	59.0
95.01370	4.1
96.95979	1.2
101.02441	28.2
113.02448	17.7
119.02675	0.8
119.03490	20.4
121.02849	0.7
123.48267	0.6
125.75644	0.6
129.89734	0.6
131.03508	0.8
138.23825	0.6
143.03473	2.6
149.04538	1.3
161.04568	4.1
179.05635	13.5
203.28308	0.6
274.35165	0.6
291.23499	0.7
333.03918	0.8
352.08057	0.6
353.19647	0.6
361.85043	0.6
397.18695	17.6
517.30298	1.1
533.25885	1.0
539.34705	1.1
577.14142	1.8
577.24518	2.9
577.31836	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	577.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65890	0.5
57.03484	0.5
59.01368	0.8
63.96227	0.7
64.12386	0.6
68.00307	0.5
71.01389	10.6
71.57148	0.5
73.02936	4.2
78.98593	7.0
79.95744	15.5
80.96520	87.7
81.03474	0.6
81.58241	0.5
85.02953	4.8
87.00869	3.2
89.94554	0.5
94.98080	20.8
96.96016	1.2
97.02926	2.1
98.56351	0.5
99.00855	0.7
101.02420	3.1
106.98071	2.5
108.24650	0.6
112.17359	0.6
112.76492	0.6
122.97575	7.4
125.02383	4.5
133.80585	0.6
134.97603	6.8
136.99144	1.2
148.99144	7.7
152.98618	8.7
164.98622	14.0
182.99734	2.6
206.99690	4.5
225.00752	20.3
235.13028	0.6
243.01791	1.3
277.21777	3.0
299.04367	3.4
526.10229	0.8
569.59467	0.6
577.26917	100.0
578.26813	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81642	1.1
54.89005	1.0
55.01894	1.2
58.00605	1.3
59.01387	100.0
61.98837	10.3
64.33282	1.0
71.01381	29.0
72.99303	7.1
73.02946	27.2
75.00866	1.1
82.16640	1.0
83.01405	1.9
85.02950	15.3
86.00088	1.9
87.00859	11.8
87.04485	2.6
89.02439	25.5
92.03085	1.2
96.95992	2.0
99.00891	1.2
101.02446	38.4
103.04016	18.4
107.69132	1.2
113.02467	5.0
115.03973	8.2
118.38027	1.0
119.03485	10.8
125.02425	4.2
125.53370	1.4
127.04005	1.3
131.03496	11.3
135.39310	1.1
143.03551	14.3
145.05093	5.7
163.06129	53.2
180.97475	1.2
205.07233	17.0
250.14032	1.2
252.29677	1.2
265.09259	9.7
318.66544	1.1
325.11380	1.6
452.69370	1.2
517.25861	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	577.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10207	0.2
59.01395	11.5
64.34904	0.2
71.01391	2.3
72.99291	0.2
73.02931	0.5
85.02933	0.3
87.00894	0.3
89.02449	2.0
90.51691	0.2
92.62193	0.2
101.02425	2.1
113.02427	1.2
119.03486	0.3
133.05023	0.2
136.02522	0.2
158.08519	0.2
161.04541	0.8
179.05733	0.2
186.14803	0.2
198.68622	0.2
227.64510	0.2
229.12761	0.2
235.08267	1.3
253.09303	8.1
256.19131	0.2
281.24869	100.0
282.25150	2.5
517.33435	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4246
Annotation	3-demethylubiquinol-6
Peak:m/z	Relative Intensity
59.01379	1.4
61.74946	0.2
71.01384	0.4
132.71490	0.3
174.06725	0.3
199.49327	0.3
229.21088	0.3
259.20700	0.4
277.21750	100.0
278.22064	2.8
487.66336	0.4
577.42474	52.6
578.42963	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	578.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46453	0.1
52.03701	0.1
52.49184	0.1
59.01388	0.6
61.98835	100.0
65.73464	0.1
78.95905	1.4
92.11583	0.2
96.97021	0.1
99.92562	0.1
101.02463	0.1
104.56445	0.1
138.72043	0.1
152.99602	0.7
196.89565	0.4
200.71841	0.1
221.72350	0.1
253.02597	0.1
254.00206	0.1
279.23300	1.5
280.23676	1.9
281.23926	1.5
282.24396	0.5
310.86478	0.1
578.22443	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41927	0.1
59.01389	17.1
64.34322	0.1
64.94442	0.1
71.01376	0.1
78.95908	6.5
80.23330	0.1
80.96534	0.9
99.17690	0.1
130.69231	0.1
152.99571	1.4
168.04292	1.7
224.06967	1.1
228.40044	0.1
242.08037	2.5
251.33316	0.1
261.22226	0.2
279.23312	100.0
280.23706	2.5
327.87476	0.1
380.03632	0.1
504.31027	28.2
505.31406	1.0
567.52435	0.1
579.28619	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67393	0.1
59.01388	21.9
61.98840	0.2
68.03123	0.1
78.95904	24.1
83.04967	0.2
84.02723	0.2
96.96946	0.4
122.98534	0.2
126.66998	0.1
135.21414	0.1
144.26605	0.1
152.99603	3.9
168.04288	3.5
173.65054	0.2
224.06964	7.7
242.07930	2.0
261.22324	0.3
279.23315	100.0
280.23715	2.4
342.31915	0.2
362.49316	0.2
433.23486	0.2
504.31042	55.9
505.31366	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	579.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76886	0.3
54.83359	0.3
55.29265	0.3
59.01387	100.0
62.61956	0.3
70.81728	0.3
71.01348	0.4
89.02493	0.4
96.96008	0.8
104.02723	0.9
121.02962	1.9
126.90524	0.7
140.82545	0.3
145.02960	0.4
148.01732	2.4
163.00444	1.4
163.03983	0.6
175.03992	3.2
176.01152	13.3
190.06390	0.5
190.99855	6.2
191.03500	9.4
192.00682	4.8
206.02234	10.0
207.03056	3.3
221.04547	6.3
221.06439	0.5
222.05411	2.0
253.08867	1.8
263.07205	1.7
267.06702	0.7
268.07590	0.7
269.08237	3.2
279.06723	2.4
280.07541	0.4
281.08249	6.2
283.09796	0.6
291.06854	1.6
292.07471	0.5
293.08231	1.6
294.09140	1.5
296.10571	0.6
297.07733	16.1
297.11127	1.1
308.10727	1.9
309.07825	18.8
309.11404	4.7
312.10086	13.9
312.13605	0.6
323.09204	3.8
324.10049	12.4
327.12411	38.6
328.12698	0.5
339.12421	34.7
563.65656	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46142	0.3
50.46400	0.3
54.42760	0.3
56.96799	0.3
57.26493	0.3
59.01383	1.5
63.96231	0.7
64.15891	0.4
66.66995	0.4
69.03471	0.7
71.01384	8.3
71.70249	0.3
72.76841	0.4
73.02946	1.9
76.30547	0.3
78.95903	0.4
78.98591	6.6
79.95734	10.2
80.96513	70.3
81.03448	0.5
83.01362	0.4
83.89814	0.4
85.02918	3.2
85.10905	0.4
87.00856	2.8
94.98083	16.4
96.95996	0.7
97.02959	1.6
101.02417	2.8
106.98112	4.2
122.97562	5.8
125.02410	3.5
127.04024	0.6
134.97578	5.0
136.99146	2.0
148.99139	7.7
152.98625	7.4
152.99690	0.5
164.98622	12.4
182.99675	2.3
206.99731	3.6
225.00772	17.7
243.01791	1.6
279.23331	4.4
281.31693	0.4
299.04440	2.0
357.49255	0.4
579.28528	100.0
580.29175	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	579.3674
Annotation	Hugonone A
Peak:m/z	Relative Intensity
53.59557	1.1
57.70385	1.0
60.37412	1.3
61.98831	1.5
78.52197	1.3
96.25431	1.6
103.04370	1.3
122.35619	1.3
145.76694	1.5
218.54649	1.3
237.06459	1.2
237.40025	1.2
296.56335	1.3
369.06665	1.3
383.78934	1.4
407.28055	1.4
497.36417	100.0
498.36600	5.1
579.36798	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3672
Annotation	Hugonone A
Peak:m/z	Relative Intensity
50.43962	0.3
54.88673	0.4
56.94236	0.3
59.01386	7.1
60.51306	0.4
61.98853	0.4
64.34420	0.4
79.92829	0.4
95.16132	0.4
108.30144	0.4
123.30298	0.5
218.33221	0.4
230.42937	0.4
437.34561	4.2
497.36401	100.0
498.36572	5.7
579.36688	49.9
580.37177	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	580.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28551	0.1
59.01384	0.9
60.01736	0.1
61.01817	0.1
61.98836	100.0
71.01394	0.1
77.30270	0.1
87.00871	0.1
88.00433	0.1
89.02422	0.1
92.11732	0.1
101.02452	0.1
113.19378	0.1
160.85139	0.1
162.07350	0.1
172.86086	0.1
212.46854	0.1
253.09351	0.1
255.09715	0.2
281.24857	1.9
281.27582	0.1
282.25229	3.2
283.25537	1.8
284.25748	0.8
317.87698	0.1
488.87546	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	580.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84365	0.2
59.01394	1.2
59.60231	0.2
61.98835	100.0
64.96771	0.2
67.16650	0.2
76.72260	0.2
101.72198	0.2
119.71889	0.2
217.94907	0.2
281.24820	2.3
282.25189	3.0
283.25510	2.1
284.25803	0.5
291.85950	0.3
509.31876	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80457	0.3
59.01387	19.5
61.98822	1.3
62.96925	0.3
70.91302	0.3
71.30109	0.3
78.95901	18.3
105.83159	0.3
113.91900	0.3
120.78074	0.3
152.99550	3.3
168.04330	3.6
218.22787	0.3
224.06967	7.9
235.90485	0.4
242.07994	1.7
281.24881	100.0
282.25226	1.8
315.78619	0.3
506.32565	52.1
507.32751	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	580.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82342	0.1
58.13314	0.1
59.01387	15.0
59.09825	0.1
61.98537	0.2
61.98835	2.8
65.36343	0.1
73.28150	0.1
78.95900	5.2
80.39171	0.1
96.96953	0.2
142.73013	0.1
144.36766	0.1
152.99583	1.6
161.05342	0.1
168.04309	1.5
171.17384	0.1
224.06960	0.9
242.08038	2.0
281.24884	100.0
282.25180	1.4
356.21988	0.1
388.15347	0.1
445.76810	0.1
465.71994	0.1
506.32565	29.0
507.32983	0.7
581.29877	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.152
Annotation	5,7,3',4'-Tetrahydroxyflavanone 7-alpha-L-arabinofuranosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
57.03452	5.7
59.01386	4.6
61.98832	1.1
63.02385	0.5
65.00328	3.0
71.01398	4.0
73.02958	0.9
81.03452	1.3
82.95420	5.6
83.01411	5.1
85.02966	0.6
87.00875	0.6
89.02435	3.8
93.03468	3.9
97.02908	0.8
99.00869	1.3
101.02419	1.1
101.42222	0.5
107.01382	7.1
107.05019	1.3
109.02975	1.4
113.02460	0.8
117.03458	3.1
121.02913	4.1
123.04514	0.8
124.01659	1.2
125.02438	69.6
125.05977	0.6
128.03528	0.7
131.05048	0.8
133.02911	4.1
134.03738	50.3
135.00880	0.7
136.01620	1.0
137.02448	13.5
139.04016	3.8
147.00941	0.7
149.02431	6.5
149.06100	11.8
150.03127	0.6
151.00380	27.1
151.03876	0.8
152.01195	4.1
153.01932	9.3
159.04617	0.8
163.00343	3.5
165.01926	41.4
166.02579	1.0
169.06628	1.3
172.05261	2.2
173.06102	6.5
175.04005	1.3
175.99818	0.6
176.01134	5.2
177.01962	0.6
177.05586	2.6
178.02715	28.4
178.04280	1.0
178.99908	11.7
179.03490	10.9
180.04295	26.6
181.05150	0.7
181.06674	1.2
193.05067	69.8
194.05853	1.2
195.02946	0.9
195.06631	29.0
197.06061	2.8
199.03978	2.3
199.07660	0.8
201.05615	4.2
209.06136	1.1
210.05449	4.8
213.05621	1.1
215.07144	5.2
225.05586	4.2
225.07719	19.9
237.05589	1.0
241.05089	5.8
243.06667	6.4
259.06125	58.7
265.05057	1.1
268.03769	1.1
269.04578	100.0
270.04865	1.4
283.06259	0.7
287.05655	16.2
297.07663	4.7
307.45963	0.8
311.05795	0.8
312.10049	3.7
356.09192	0.6
359.14835	1.0
371.11362	12.1
419.13431	8.9
563.14514	4.2
581.15186	74.0
582.15057	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	581.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.3
55.47643	0.4
57.03453	0.9
58.00592	0.6
59.01390	30.7
61.98819	2.7
67.82531	0.5
71.01039	0.8
71.01389	14.8
72.99319	1.7
73.02956	4.1
75.00870	0.5
81.10806	0.4
83.01396	4.0
85.02962	5.1
86.00098	0.6
87.00864	2.8
89.02451	10.0
95.01390	1.1
96.95987	0.8
99.00880	2.3
101.02444	12.1
109.02930	0.5
111.00890	0.6
113.02459	5.5
119.03468	2.9
121.02952	6.5
123.03643	0.5
145.02931	1.2
151.04065	1.0
154.05383	0.6
158.03738	0.5
159.04480	2.9
161.04515	0.5
164.04803	2.7
166.02669	0.8
179.07104	2.7
180.07915	0.7
181.05109	1.1
182.05397	0.6
212.04561	0.5
218.02087	0.5
240.04303	1.0
253.08698	0.8
254.05888	0.9
255.06624	2.6
263.07089	0.8
265.08676	2.2
267.06622	2.5
268.07422	3.7
269.08212	5.9
270.09067	3.0
271.09625	0.6
280.07285	0.8
281.08215	13.5
282.08939	5.1
283.09818	8.4
289.07648	0.5
293.08212	3.3
294.08908	0.6
295.09882	4.0
296.10425	2.2
297.11264	1.0
299.09360	5.3
300.10043	2.7
302.08005	1.0
311.09238	3.5
314.07938	3.1
314.11636	9.6
315.12463	5.8
325.10855	0.9
326.07980	0.7
326.11618	10.0
327.12335	6.1
328.09344	0.7
329.14001	17.9
332.92017	0.6
340.09549	2.4
341.10309	1.0
341.13965	9.3
343.11993	3.4
355.11780	5.2
357.13599	0.6
359.15234	1.9
364.76541	0.6
369.13263	1.0
419.16690	0.7
445.14871	0.8
461.14774	3.7
473.14288	5.2
476.16937	16.5
488.17105	6.4
491.19260	100.0
492.19565	3.6
503.19290	68.0
504.19458	2.1
521.20319	6.8
545.25629	3.8
581.23889	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	581.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02512	0.3
59.01388	100.0
60.82948	0.3
61.98849	0.7
71.01392	0.7
74.21955	0.3
76.23407	0.3
84.86492	0.2
89.02462	0.4
101.02440	0.6
121.02949	2.5
147.04576	1.3
159.04533	0.3
160.05367	0.5
175.07664	0.5
178.06407	0.3
211.25560	0.3
213.33824	0.3
240.04414	0.6
254.05936	0.4
255.10399	0.6
269.08209	14.9
271.09946	1.3
281.08011	2.2
283.09772	4.3
295.09879	0.6
297.11246	0.4
298.12292	0.6
299.09268	9.0
311.09286	12.2
311.12787	0.5
313.10574	0.5
314.11639	17.5
318.74631	0.3
325.10956	1.7
326.11615	13.0
329.13986	51.4
330.14154	0.4
341.13971	24.7
357.83652	0.3
359.14844	0.6
431.37784	0.3
521.26465	1.1
546.68640	0.4
569.11646	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20224	0.2
55.01887	2.4
57.03439	1.4
57.13540	0.3
58.00592	1.4
59.01393	31.1
61.98837	2.6
71.01394	15.6
72.99306	1.8
73.02959	4.4
73.72025	0.3
75.00888	0.3
78.67532	0.3
83.01399	3.8
85.02961	7.7
86.00078	0.4
87.00897	2.9
89.02456	9.5
90.32950	0.3
95.01371	1.9
96.96011	0.4
99.00911	2.4
101.02449	12.7
101.03138	0.4
107.78751	0.3
107.97065	0.3
108.02197	0.5
109.02957	0.8
111.00882	0.7
113.02460	5.7
116.84409	0.3
119.03484	2.2
121.02957	6.1
131.03482	0.4
131.04964	0.4
135.04504	0.6
136.01646	0.3
141.01855	0.3
145.02963	1.8
145.10107	0.3
146.03769	0.5
147.04518	1.2
149.02412	0.3
149.04494	0.4
151.04005	1.3
152.80235	0.4
159.04500	2.1
161.06119	0.4
164.04817	2.2
164.27780	0.4
179.05632	0.5
179.07137	1.8
180.07887	0.7
223.09850	0.3
238.06290	0.5
240.04289	2.0
253.08635	0.6
254.05792	0.5
255.06673	2.5
263.07037	0.8
265.08734	1.5
266.05908	0.5
267.06668	1.3
268.07419	4.8
269.08206	7.3
270.08917	2.0
271.09668	1.4
275.07404	0.5
280.07431	1.4
281.08221	12.1
282.08960	3.9
283.09753	7.2
284.10263	0.4
293.08252	3.4
294.09058	1.4
295.09814	4.1
296.07541	0.3
296.10522	2.6
297.11264	1.2
299.09265	6.3
300.10001	1.5
302.07898	1.2
309.11389	0.7
311.09250	5.0
311.12650	0.6
312.09991	0.7
313.10846	0.7
314.07953	2.3
314.11639	9.4
315.12433	5.2
325.10931	0.5
326.11609	8.7
327.12476	7.2
328.09586	0.4
329.10110	0.6
329.13998	16.5
330.14310	0.4
340.09534	1.3
341.13950	9.5
343.11853	3.1
355.11893	5.3
357.13156	0.4
359.15079	0.4
368.12640	0.4
369.13403	1.3
445.15097	0.6
461.14645	2.7
473.14359	3.8
476.16940	14.7
477.17102	0.4
488.16919	7.5
491.19290	100.0
492.13779	0.4
492.19775	3.6
503.19308	74.6
504.19440	3.2
521.20367	6.9
545.26215	3.0
581.23730	3.7
581.31940	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92049	0.4
55.01886	0.9
57.03465	0.8
58.00602	3.5
59.01387	100.0
61.98837	21.1
64.34118	0.5
69.82185	0.4
71.01384	55.3
72.99310	3.7
73.02954	1.9
74.80403	0.4
77.34897	0.5
79.77199	0.4
83.01392	2.1
85.02950	10.7
87.00890	2.7
89.02441	73.6
90.02738	0.6
95.01380	4.4
101.02439	24.3
113.02450	21.1
119.03493	27.1
128.20920	0.5
131.03519	3.2
135.04568	0.8
136.01701	2.9
143.03493	5.4
145.02934	3.2
146.03795	1.0
149.04593	2.1
151.04022	4.5
151.55173	0.5
156.29449	0.4
159.27129	0.4
161.02528	0.7
161.04585	5.9
164.04785	0.7
170.14893	0.4
175.04034	0.4
179.03474	0.8
179.03815	0.9
179.05635	22.4
179.07025	1.4
189.05658	2.5
191.78590	0.5
194.05989	0.7
209.08255	0.9
222.06903	0.9
223.07640	0.4
224.04895	2.9
224.08626	0.5
225.09218	0.7
227.10889	0.7
233.83986	0.5
238.06436	2.9
239.10915	2.2
241.08871	2.6
251.07294	0.8
252.04466	0.7
253.08904	0.6
255.10298	8.9
266.06006	3.0
266.09482	0.6
267.10376	0.9
269.11737	4.2
270.12741	2.4
281.08212	1.0
283.09799	37.7
284.10315	0.8
293.08148	0.7
294.09128	2.9
295.09857	4.5
296.10638	4.2
297.11432	2.4
298.12158	4.2
302.98663	0.5
308.10504	0.9
309.07898	2.3
309.11392	0.9
310.08368	4.0
310.12292	2.0
311.09299	83.3
312.09805	2.5
325.10822	11.2
326.11630	54.8
327.12152	0.9
339.12473	0.7
340.12915	0.9
341.13971	64.4
342.14633	1.0
491.19745	0.7
521.20355	5.8
521.33643	0.9
581.24615	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82680	0.3
57.03448	0.3
57.17415	0.3
59.01388	2.1
62.56321	0.3
63.72808	0.3
63.96245	0.6
69.03462	0.7
69.10981	0.4
71.01382	8.5
73.02943	2.2
73.70896	0.3
78.95900	0.4
78.98588	7.4
79.95732	13.1
80.33305	0.3
80.96518	86.8
81.03456	0.7
85.02943	3.4
87.00884	2.8
94.98082	21.1
95.01350	0.4
96.96008	2.4
97.02948	1.8
99.00871	0.7
100.87294	0.4
101.02440	2.8
103.09074	0.3
104.44604	0.3
106.98084	4.6
122.97565	7.4
125.02440	4.2
127.03974	0.6
134.97569	6.3
136.99142	1.5
148.99149	7.2
152.98604	10.9
152.99658	0.8
164.98628	15.7
165.00046	0.7
182.99707	3.0
188.98653	0.4
206.99695	4.1
225.00772	20.9
236.98029	0.4
243.01834	2.1
255.23315	1.7
281.24881	5.7
299.04422	3.6
358.56244	0.4
471.07626	0.4
483.27551	0.6
540.34839	0.4
581.30078	100.0
582.30560	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	581.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.6
59.01388	43.6
61.98839	5.6
71.01375	21.8
73.02943	11.7
83.01373	10.8
85.02945	17.2
89.02434	5.7
90.34237	3.0
92.11722	3.1
96.96019	13.7
99.00926	3.0
101.02453	21.5
113.02423	10.7
125.02415	2.9
150.03275	6.3
165.05539	3.3
174.19557	3.1
249.19029	3.0
273.18631	4.6
280.39600	2.9
285.59274	2.6
328.16656	2.6
389.25433	3.4
505.29480	2.6
581.31921	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82678	0.3
56.04062	0.2
56.26118	0.2
59.01374	0.4
151.26349	0.3
157.40077	0.2
204.48869	0.3
212.64253	0.3
261.22214	0.3
279.23315	100.0
280.23679	1.7
393.30777	0.3
407.32889	0.3
483.66092	0.3
581.45612	48.0
582.45831	1.7
604.78229	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41378	0.3
53.94839	0.2
54.82669	0.4
55.82352	0.3
85.69233	0.3
92.11572	0.4
116.92847	1.3
117.91418	0.3
227.20181	100.0
228.20502	1.3
268.97241	0.4
474.14499	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.4
61.29453	0.3
66.46903	0.2
68.24507	0.2
71.01383	2.1
73.02955	0.5
79.77999	0.2
81.03455	0.5
84.25720	0.2
85.02966	2.3
86.11150	0.2
93.03455	0.5
95.01360	1.4
99.00891	0.3
101.02443	1.3
108.02173	90.9
109.02957	28.0
109.03544	0.3
111.00915	0.3
113.02445	1.3
121.02941	1.0
123.00854	0.6
123.04504	1.0
133.02917	0.4
134.03728	0.3
135.00905	0.4
135.04521	0.4
151.03978	1.5
152.01158	76.0
153.01949	23.7
163.04025	1.2
165.01970	1.9
167.03569	0.3
194.00871	0.3
315.07266	100.0
316.07507	2.1
440.97632	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82451	0.4
57.97555	0.4
59.01390	100.0
60.01720	0.4
60.26687	0.5
60.49960	0.4
61.98847	2.4
65.95840	0.5
71.01345	0.6
74.95806	0.4
84.95119	0.5
85.72150	0.5
92.11706	0.8
98.61893	0.5
117.94550	0.4
152.61159	0.5
164.19157	0.4
167.68422	0.5
169.76414	0.5
184.91280	0.5
202.90927	0.5
208.88402	0.5
279.23309	19.9
280.23691	0.5
406.04193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94723	0.6
54.82532	0.4
59.01386	17.5
78.95900	18.6
152.99574	2.9
168.04317	2.5
213.49716	0.6
224.06894	7.9
242.08078	2.4
250.73424	0.6
283.26450	100.0
284.26761	3.2
477.26337	0.7
508.34131	53.3
509.33920	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	4.7
71.01363	1.4
74.77159	1.0
78.95899	100.0
96.95991	2.2
96.96947	5.5
99.92566	10.1
100.93346	2.0
115.92066	39.9
116.92097	1.6
116.92848	32.0
150.97974	4.5
152.99585	46.5
156.25002	1.1
171.00644	5.4
172.95421	4.9
178.88440	2.3
179.89211	36.3
180.90009	24.5
181.90781	5.5
196.89493	56.7
204.90123	1.4
205.90816	6.2
208.89500	1.5
216.94908	1.3
234.91226	1.6
235.91847	8.3
236.92625	18.8
252.92142	1.7
255.20924	1.3
255.23248	11.8
266.51059	1.4
278.93649	1.4
286.77005	1.3
289.53867	1.2
304.76480	1.3
309.95438	2.0
311.81522	1.3
475.15540	7.8
492.15826	6.4
535.17786	5.1
547.17859	5.3
583.19897	89.9
584.20129	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	583.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05541	1.6
53.48259	1.4
58.30212	1.5
59.01376	3.3
61.98821	9.8
73.66446	1.4
78.44412	1.6
80.63769	1.7
85.02882	1.4
92.64272	2.4
92.64893	1.8
96.96009	2.0
102.02910	1.7
121.02965	11.8
122.03709	14.3
123.04478	2.2
133.02945	2.1
135.04494	8.7
136.01651	11.9
137.02434	1.8
139.05157	3.2
149.02448	36.9
150.03235	100.0
151.04013	12.1
163.03960	2.5
164.04755	3.0
165.04153	2.8
165.05571	73.9
166.02715	8.5
167.03421	2.4
176.44351	1.6
180.04294	7.5
181.05045	8.0
190.06429	2.7
195.06636	24.7
233.23433	1.8
271.01743	1.9
328.42603	1.8
329.10645	2.4
357.13464	3.9
387.14612	19.7
503.33624	2.1
535.19788	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.4
59.06609	1.4
59.98277	1.4
61.98831	12.9
64.34373	1.6
64.91728	1.5
71.01378	2.5
92.12372	3.2
93.03443	1.9
93.35749	1.7
121.02964	6.6
122.03760	15.3
132.24118	1.6
134.56587	1.7
140.18590	1.6
149.02444	37.7
150.03230	100.0
164.04805	8.0
165.04193	2.7
165.05563	69.8
177.05611	2.3
180.04315	4.0
195.06644	38.3
236.16333	1.7
268.07532	2.2
312.06378	6.0
325.10883	2.7
326.11737	2.7
327.08737	7.3
339.08774	9.0
342.10980	7.2
354.11118	2.3
357.13483	18.1
369.13339	13.3
467.28854	1.8
503.47733	1.9
505.18823	6.0
535.19751	33.6
547.27411	2.2
583.25104	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	583.332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15298	0.4
52.32424	0.4
61.98834	0.7
88.43855	0.5
98.26200	0.5
101.78011	0.6
149.02448	2.0
164.04776	4.6
179.07182	2.2
184.17477	0.5
253.16980	0.6
439.32275	0.8
487.34344	100.0
488.34558	4.5
489.34933	0.7
501.31830	0.7
517.34137	0.5
583.30054	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86961	0.1
54.82122	0.1
58.28827	0.2
59.01368	1.1
61.98798	0.2
62.76368	0.1
76.81623	0.1
76.90131	0.2
83.05026	0.7
124.71244	0.2
159.33670	0.2
171.88850	0.2
212.08730	0.2
235.20732	0.4
253.21739	100.0
254.22014	1.8
349.53589	0.2
384.58676	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	4.9
59.01681	0.2
60.01726	0.4
61.01806	0.3
61.98836	100.0
71.01381	0.3
85.02981	0.2
89.02480	0.3
92.11753	0.2
92.39299	0.2
94.55518	0.2
99.45074	0.2
101.02441	0.2
108.66750	0.2
132.95544	0.2
136.01700	0.2
141.96651	0.2
150.03311	0.3
163.71976	0.2
164.04819	0.2
176.01208	0.4
187.27237	0.2
191.03555	0.4
329.14059	0.3
330.14655	0.8
331.14841	0.4
332.15152	0.4
342.14581	0.3
446.66776	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48122	0.1
53.82664	0.1
59.01385	1.3
61.98837	100.0
63.99256	0.2
66.70151	0.1
71.01384	0.6
85.02965	0.2
89.02465	0.6
95.01422	0.1
96.96005	0.2
101.02441	0.5
108.92592	0.1
119.03590	0.2
121.03990	0.2
149.02525	0.2
150.03296	0.2
151.04080	0.1
152.74435	0.1
164.04839	0.7
166.02815	0.3
167.03479	0.2
168.27252	0.1
179.07162	0.3
181.05130	0.2
225.53325	0.1
301.11118	0.1
312.09567	0.1
313.10089	0.2
328.12238	0.3
330.82013	0.1
367.08194	0.1
421.15219	0.2
584.21124	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47441	0.1
54.82795	0.1
59.01392	1.2
61.98841	100.0
71.01412	0.3
85.02967	0.2
88.98798	1.1
89.02499	0.2
167.03510	0.3
180.07771	0.2
181.05165	0.4
217.81570	0.2
239.85112	0.1
421.15121	0.3
494.20654	0.3
545.38861	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97039	1.0
58.02981	1.0
59.01387	22.2
61.75507	0.8
61.98835	2.4
63.08477	1.0
71.01380	13.5
85.02949	3.7
87.00907	1.4
89.02444	9.2
95.01371	4.2
96.95972	3.8
101.02442	6.4
104.24480	1.0
109.02964	1.4
113.02450	4.8
113.06038	1.1
119.03474	2.3
121.02946	14.4
123.00883	23.1
124.67407	1.0
125.02444	1.7
135.04527	5.7
136.01649	9.8
137.02435	22.1
138.03233	15.6
147.04572	1.5
149.02469	4.3
150.03217	7.3
151.04030	13.8
151.07632	1.3
153.05597	13.0
153.09193	1.9
163.03998	7.6
164.01163	1.1
164.04807	8.7
165.01929	93.3
165.05594	5.3
166.02689	5.6
166.99844	22.3
167.03526	1.0
171.08125	1.1
176.04820	5.0
177.05609	1.3
178.02791	1.0
179.03510	28.6
180.04292	63.3
181.01450	5.3
181.05043	5.1
182.02234	70.7
191.03473	1.0
193.05067	1.7
194.05824	5.4
195.03006	2.1
195.06642	70.2
196.03827	5.4
197.04573	100.0
202.02710	11.0
209.08266	1.6
210.05362	19.1
211.06227	2.1
217.05092	15.1
224.03311	2.3
225.05577	2.1
225.07713	42.8
239.05611	16.4
243.17227	2.2
273.07806	1.4
285.15088	1.2
301.07303	6.8
312.06696	1.2
315.14624	4.8
316.09543	3.9
327.08331	1.2
330.11206	1.9
339.08743	1.2
341.08841	1.7
342.11081	3.7
345.13522	3.9
357.13406	2.2
375.11179	2.4
375.14676	26.5
423.13043	44.0
447.20471	2.0
479.22946	5.9
525.23010	7.7
549.16321	11.7
585.18640	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	585.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.3
57.03449	0.4
59.01393	6.4
61.98838	38.2
64.87520	0.3
69.03461	0.3
71.01383	4.7
71.03350	0.2
72.99321	0.3
73.02951	1.4
75.00861	0.4
79.30566	0.3
80.68164	0.2
83.01380	1.2
83.05025	1.4
85.02950	1.5
87.00854	0.5
88.98803	0.4
89.02445	1.4
95.05038	0.4
96.95989	0.4
97.02944	1.3
99.00905	0.3
99.04510	0.5
101.02434	1.7
102.05674	0.3
102.69895	0.3
107.05019	0.4
107.08672	0.5
108.02179	0.4
109.02956	0.6
111.04494	0.3
113.02410	0.6
114.38897	0.3
120.05804	0.3
121.02951	1.9
121.06643	0.4
122.03761	2.3
123.04507	0.4
124.01666	0.3
125.02447	0.6
128.03548	0.3
129.10329	0.4
130.08734	1.1
133.10213	0.5
135.04500	0.7
135.08182	1.4
137.02444	8.8
138.03258	0.3
147.04539	0.5
149.02452	0.4
149.09720	1.7
150.03246	1.6
151.04022	0.6
153.09224	8.8
157.10254	0.4
159.08182	0.5
161.06053	2.0
165.01942	78.9
165.05548	2.8
166.02753	2.2
166.05856	0.6
167.10677	0.4
175.07646	0.5
175.11342	0.5
177.09233	5.6
179.03534	1.1
179.07187	1.2
180.04301	60.7
181.05048	5.3
183.06671	0.6
193.08711	1.6
195.06650	100.0
196.06955	1.6
197.08231	2.3
210.05446	0.4
221.08208	3.5
229.07085	0.4
239.09273	1.8
243.08763	4.3
253.10789	0.4
271.42432	0.3
273.59515	0.3
281.10349	2.1
292.67957	0.3
341.12497	3.5
346.14124	0.3
347.14685	0.3
361.16556	1.5
362.16962	2.5
363.17252	2.2
379.03351	0.3
524.22314	3.1
525.22540	7.4
525.29730	0.5
549.29016	0.6
585.21973	15.7
585.30963	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25605	0.2
58.00597	0.3
61.98827	0.3
77.39545	0.2
82.95377	0.2
97.06559	0.3
153.09076	0.4
159.86696	0.2
230.28635	0.2
242.98540	0.2
261.98703	0.2
311.23856	1.3
375.30637	1.8
393.31711	0.9
409.34665	1.7
423.28830	0.5
437.30707	2.1
439.32166	3.5
451.32312	1.1
453.33780	13.3
454.34222	1.1
469.33188	4.1
471.34827	100.0
472.35162	5.6
489.36057	2.3
497.32391	0.3
515.33844	32.1
516.34100	2.3
597.84283	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4867
Annotation	Tenuiphenone D
Peak:m/z	Relative Intensity
56.13937	0.3
57.00621	0.3
71.71246	0.3
72.27811	0.3
116.92889	0.4
119.65119	0.3
120.55555	0.4
199.13358	0.6
281.24878	100.0
282.25275	0.8
289.18051	1.9
307.19202	3.3
329.07654	0.3
585.48724	46.6
586.48615	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96333	0.5
57.03448	4.6
59.01375	3.7
59.30013	0.6
65.03889	0.6
69.03452	0.7
69.10966	0.6
77.16411	0.6
81.03437	3.6
83.01381	5.2
93.03472	1.4
95.01373	0.7
95.05024	7.6
96.54348	0.7
96.96006	1.4
97.02934	10.9
105.03468	1.1
105.28203	0.7
108.02141	1.1
109.02213	1.6
109.02952	41.0
114.05674	0.7
119.05050	1.0
121.02959	6.8
122.03706	3.0
123.04518	27.7
125.02436	27.0
130.08740	1.6
135.04517	2.9
137.02444	17.6
138.03223	1.6
139.03976	6.6
145.02965	3.8
146.03694	1.2
149.02501	7.1
150.03250	3.0
151.04027	14.2
152.29068	0.8
157.06596	0.8
159.04478	4.9
160.05307	3.9
161.02483	1.4
161.04985	0.8
161.06082	7.0
162.03206	1.5
163.04060	1.6
164.01166	7.2
165.01897	4.3
165.05637	0.9
166.02725	1.2
167.03487	1.5
172.09862	1.0
173.06120	1.3
175.04015	3.4
175.07654	3.2
177.05559	0.8
179.03545	8.1
185.06123	0.8
187.03970	8.5
188.04808	4.7
195.06564	0.8
201.05573	0.7
202.06349	3.3
203.07170	17.9
205.05061	9.7
221.08252	6.9
223.07973	0.8
227.07182	3.3
245.08177	23.5
247.06100	1.2
289.07211	100.0
290.07532	4.0
517.72986	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75214	0.5
53.81177	0.5
54.36922	0.6
54.79779	0.6
54.82623	0.6
57.21392	0.5
57.41434	0.5
58.02967	1.0
59.01106	1.3
59.01386	29.5
60.99314	1.3
61.98848	0.8
71.01387	3.4
71.27026	0.6
73.02933	0.7
74.02477	3.2
78.69029	0.6
87.05646	2.7
88.98814	5.9
89.02436	1.0
96.96017	3.2
101.02465	1.2
111.08167	0.9
113.02446	1.5
119.05097	0.8
121.02942	11.8
122.03718	3.9
127.05151	5.6
128.03535	3.5
130.08731	1.0
131.04604	0.8
131.71085	0.7
133.02975	1.3
134.03731	59.1
136.01672	3.4
137.02412	10.0
139.04037	3.0
141.01707	10.7
141.06659	1.1
149.02422	18.0
149.03535	0.8
149.06071	19.1
150.03217	42.4
151.04016	2.8
164.04840	5.1
165.01929	3.0
165.05556	54.4
166.02373	1.0
178.02710	39.6
179.03661	0.7
180.04306	4.2
180.10294	0.9
182.02177	0.8
183.11385	0.8
187.42787	0.7
193.05057	100.0
195.06610	22.6
200.14095	3.7
202.02771	1.5
210.12372	0.8
217.05138	1.6
223.11014	1.0
236.86786	0.7
239.07234	1.0
240.30501	0.8
250.06352	2.7
253.08607	1.0
255.06520	0.7
267.06561	2.3
282.08997	8.6
311.17276	1.6
329.18161	0.9
341.10333	22.0
355.16525	0.9
389.12439	45.9
527.24493	1.2
549.16370	2.5
551.17664	14.2
557.29480	1.3
587.30597	14.6
597.28601	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61866	1.0
59.01388	14.2
61.98840	9.9
69.14781	1.0
69.64301	1.0
71.01380	11.1
71.02341	1.0
73.02959	1.5
77.76454	1.2
89.02441	7.1
90.02383	1.3
93.03442	5.6
96.96020	5.5
101.02418	4.8
113.02417	1.7
119.03505	2.0
121.02966	7.5
122.03735	14.0
123.04613	1.4
124.01714	1.7
135.04510	1.5
149.02444	28.7
150.03235	100.0
151.04013	2.6
163.03996	2.7
164.04817	8.4
165.05571	81.1
176.43657	1.2
180.04298	6.7
191.03407	1.5
192.04375	1.6
195.06635	25.7
223.07690	1.3
225.05550	1.7
239.03500	2.3
239.07268	2.0
240.04272	22.2
251.07210	1.9
253.05080	5.2
253.08829	4.5
254.05844	5.6
255.06575	2.7
265.05185	2.4
267.06671	9.2
268.07056	1.6
269.08249	2.9
271.10114	1.4
278.05936	1.9
280.07532	1.7
281.04980	1.4
281.08093	3.6
283.05997	9.5
287.09314	2.9
295.06201	27.4
297.07721	6.4
298.08542	28.1
299.09314	2.0
310.08527	18.8
311.09244	2.6
313.10834	30.2
325.10797	20.5
343.11963	1.6
361.12961	27.0
373.12991	29.6
379.19614	5.4
403.11966	2.0
417.13632	1.6
446.13745	43.6
461.16144	68.4
491.17050	2.5
509.18121	13.4
521.18146	4.6
527.24878	1.9
539.19324	24.1
551.28229	9.2
551.29846	8.7
557.20465	1.6
579.72510	1.7
585.04669	1.4
587.21735	12.6
587.28766	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	587.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04666	0.9
59.01379	16.7
61.98840	9.3
68.66280	1.2
69.76776	1.0
71.01372	9.3
75.00871	4.6
85.02953	1.6
87.04492	1.5
89.02443	8.9
89.02904	1.1
90.85369	1.0
93.03455	5.2
96.96015	2.5
101.02457	4.9
113.02444	1.8
116.94122	1.2
119.03493	1.6
121.02949	6.9
122.03769	10.0
137.02452	4.8
147.04565	1.4
149.02440	28.6
150.03224	100.0
163.04008	2.8
164.04817	8.4
165.05554	73.6
177.05484	1.6
180.04306	7.7
195.06639	21.9
207.06760	1.4
225.05435	1.7
237.05565	1.5
239.03462	1.4
239.07204	2.5
240.04285	20.9
253.05014	2.1
253.08693	4.6
254.05855	2.9
255.06599	7.3
265.05093	3.0
267.06677	9.1
269.08154	4.8
270.08813	1.6
280.07571	2.8
281.08194	2.7
283.06061	8.6
287.09137	1.9
294.09048	1.2
295.06161	25.6
295.09460	1.6
297.07730	7.3
298.08438	22.9
310.08475	22.8
312.10236	2.1
313.10754	31.5
325.10764	16.2
343.11871	5.0
361.12897	28.0
373.12921	32.4
379.19553	4.0
417.13461	2.2
418.14487	1.7
419.44269	1.2
431.11295	2.9
446.13779	38.4
461.16092	79.7
491.17307	6.6
509.18066	10.5
521.18170	2.1
527.25024	7.4
539.19391	31.6
551.18231	1.4
551.30414	9.2
557.20068	1.6
587.21680	14.6
587.28662	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	587.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49338	0.6
56.59430	0.6
57.03456	0.7
59.01113	0.9
59.01387	21.3
61.98844	1.0
63.62686	0.5
66.27654	0.6
71.01382	22.0
71.57405	0.6
72.99292	1.1
73.02937	0.7
78.95918	0.6
85.02962	2.5
87.00877	0.9
88.98763	0.6
89.02438	26.8
95.01362	0.8
101.02438	8.3
104.93491	0.7
113.02440	5.7
119.03473	2.9
119.38819	0.6
123.04545	0.6
150.03206	1.3
161.04507	1.2
165.05536	1.1
312.49252	0.7
389.21927	1.4
461.16290	1.4
549.25494	3.8
551.27124	100.0
552.27417	1.4
587.24768	88.8
588.25043	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.8
57.03112	0.5
57.03453	1.2
58.00602	2.1
59.01387	59.2
61.81545	0.5
65.22948	0.5
66.03623	0.6
71.01383	43.0
72.99303	3.1
73.02939	7.5
83.01360	5.2
85.02953	13.4
86.54262	0.5
87.00875	2.3
89.02442	43.9
95.01395	2.7
96.96004	2.5
97.02940	1.0
99.00900	4.3
101.02440	30.1
107.73997	0.6
113.02453	16.9
116.92873	7.9
119.03500	12.4
125.02434	1.1
125.22478	0.5
128.03642	0.6
128.07205	0.8
129.01965	0.5
131.03488	2.3
131.23041	0.5
143.03522	2.8
159.02979	0.9
161.04556	9.0
177.01967	1.3
179.05637	6.2
235.11882	21.0
319.57333	0.6
367.16132	23.1
381.08051	0.7
398.18463	0.6
458.17667	0.7
527.10718	0.7
529.21436	100.0
530.21765	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	589.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70512	0.4
55.01885	0.8
57.03440	0.6
58.00591	2.1
59.01386	49.1
61.98831	1.9
71.01382	35.0
72.99299	0.9
73.02944	12.4
75.16780	0.4
82.95409	0.8
83.01375	1.0
83.88140	0.4
85.02949	6.6
87.00877	2.0
88.32636	0.4
89.02441	70.8
92.12329	0.6
95.01382	1.0
96.04315	0.4
96.95970	0.6
97.02914	0.9
99.00877	20.7
101.01765	0.9
101.02435	24.8
113.02447	9.3
119.03484	7.9
125.02428	3.8
131.03508	8.5
133.47446	0.4
134.58556	0.4
143.03545	0.7
149.04555	21.4
161.04562	2.7
179.05608	0.6
191.05640	8.0
221.06665	0.9
233.06584	0.7
235.17163	0.5
251.07767	1.9
274.69678	0.5
291.36542	0.6
293.08948	0.5
311.09927	0.6
500.81158	0.6
529.26611	100.0
530.26843	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	591.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64899	1.0
55.01883	5.9
57.03452	2.1
59.01384	55.0
59.01682	1.8
59.12403	1.0
61.98832	4.3
69.03442	1.4
71.01378	52.2
72.99306	1.9
73.02941	13.8
83.01379	8.9
85.02943	25.8
85.49992	1.1
87.00858	2.4
88.98728	1.5
89.02435	34.2
90.42240	1.0
95.01368	5.8
96.95992	4.3
98.72472	1.4
99.00871	5.8
101.02430	37.8
110.55238	1.0
113.02460	19.1
119.03484	13.0
131.03505	2.1
143.03467	1.7
149.04532	2.1
159.02849	1.2
161.04495	9.9
162.58910	1.1
171.76700	1.2
179.05580	6.6
197.64970	1.0
201.15585	1.0
221.06699	7.1
232.49921	1.1
263.07690	1.2
300.65555	1.0
376.58224	1.2
415.38986	1.1
422.28403	1.2
482.09299	1.2
531.24402	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	592.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55326	0.3
53.96761	0.4
59.01387	1.6
61.98835	100.0
66.86499	0.4
70.76135	0.4
71.01386	1.8
79.06760	0.4
79.18742	0.3
85.02958	0.4
89.02423	1.5
96.96040	1.9
101.97931	0.4
104.63194	0.4
131.89235	0.5
521.47504	0.4
532.28186	1.7
581.04504	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39016	0.1
63.51530	0.1
74.14152	0.1
77.03970	0.1
88.16914	0.1
91.01908	0.2
102.79703	0.1
120.02129	0.8
121.02948	100.0
122.03294	0.5
125.78070	0.1
136.01614	0.2
165.01929	3.2
165.64761	0.1
180.05820	0.8
181.05078	0.2
181.06589	2.9
197.06071	2.4
206.07327	0.1
207.04510	1.1
207.08128	0.4
209.04576	30.5
210.34605	0.1
223.04028	0.2
225.05614	2.0
251.07047	0.2
257.09698	0.7
285.09308	0.1
285.85437	0.1
301.08710	0.2
311.09137	0.2
313.07233	1.6
322.29736	0.1
329.08304	0.1
357.06165	0.6
373.10834	0.4
383.07669	0.7
417.09726	1.2
505.11371	2.3
549.10443	4.8
593.13049	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	593.1313
Annotation	CHEBI:75667
Peak:m/z	Relative Intensity
50.32980	0.6
54.81878	0.7
57.03461	12.7
64.08128	0.6
65.03951	0.7
66.87774	0.6
69.03473	0.8
71.01408	0.7
81.03445	2.4
83.01374	4.9
88.98837	0.6
93.03479	2.4
95.05043	1.2
96.95996	5.8
97.02923	2.7
101.02453	1.4
106.04530	0.6
107.05019	1.5
109.02936	13.4
111.04514	4.3
114.38831	0.6
116.05014	1.0
119.04978	0.7
121.02937	3.7
123.00876	4.5
123.04520	3.3
124.01652	2.4
125.02437	100.0
131.05009	0.7
133.02991	4.6
135.04526	1.6
137.02441	30.0
137.03456	1.4
138.03174	1.4
139.04004	12.9
147.04591	0.8
149.02451	4.0
149.06140	1.0
150.03249	1.2
151.04047	7.1
158.43739	0.7
159.04501	1.2
161.02435	18.0
162.03247	1.3
163.00398	1.3
163.04024	1.6
164.01135	6.8
165.01924	13.5
165.05333	0.7
167.03488	13.6
173.06046	2.5
175.02640	0.9
175.03976	8.1
176.00989	0.9
177.01936	14.6
177.05568	3.4
179.03500	8.7
187.03979	4.2
189.02109	0.8
191.03572	1.2
191.07123	0.8
193.04976	0.8
199.04062	1.3
201.05638	1.5
203.03583	4.9
203.08273	4.2
204.04271	1.1
205.01486	1.6
211.03969	3.1
213.05714	1.1
215.03510	2.9
215.07053	0.7
217.05084	2.8
219.06616	7.7
221.04553	4.2
225.05457	1.1
227.03572	1.4
228.04196	1.2
229.05099	4.3
241.05278	0.9
243.03021	7.5
243.06738	0.7
245.04527	6.1
245.08221	0.7
255.02986	21.0
256.03818	5.5
257.04538	3.9
261.07745	1.0
269.04593	5.0
271.06018	1.0
273.04111	2.6
283.02481	10.4
285.04120	3.2
287.05533	4.6
288.02805	1.0
289.07263	3.5
297.04044	5.6
299.05640	2.7
305.06699	47.4
355.08105	1.0
423.07236	48.9
425.08899	3.0
441.08206	6.3
467.09888	12.1
549.14368	0.9
575.12445	1.5
593.12866	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	593.1518
Annotation	kaempferol-7-O-neohesperidoside
Peak:m/z	Relative Intensity
51.88881	0.3
55.01901	0.3
56.47083	0.3
59.01376	2.2
60.05643	0.3
63.02396	0.6
65.00305	0.6
73.02959	0.5
77.06000	0.3
83.01367	0.6
85.02937	0.7
89.02422	0.6
93.03447	1.9
101.02428	1.5
107.01389	2.9
109.02915	0.8
113.02444	1.3
114.30605	0.3
118.36826	0.3
132.02203	1.7
135.00877	2.0
143.05028	1.4
144.16277	0.4
145.02911	0.4
151.00363	2.9
157.06598	1.4
159.04510	1.6
161.02457	0.6
163.00380	3.9
167.04994	0.5
168.05847	0.4
169.06642	0.8
173.06039	0.4
183.04503	2.0
185.06052	3.5
187.03978	4.0
189.05652	0.8
195.04486	0.7
197.06131	1.3
199.04002	1.9
201.05580	0.6
205.25351	0.3
211.03998	4.0
212.04793	0.4
213.05659	2.1
227.03514	46.0
228.03882	1.5
229.05055	17.2
239.03427	2.7
240.04285	1.4
241.05098	2.6
243.03160	0.4
255.03000	78.7
256.03729	4.8
257.04562	9.0
267.03006	1.5
267.37860	0.4
277.47797	0.4
283.02484	0.4
284.03275	89.0
285.04056	100.0
286.04474	1.6
327.05222	1.7
371.20645	0.7
385.67593	0.3
405.30283	0.4
533.26007	4.1
593.15198	96.5
594.15509	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93434	0.6
62.55736	0.7
65.41106	0.6
75.50516	0.6
78.95905	100.0
89.87547	0.7
92.40387	0.7
113.34757	0.7
116.92826	1.2
136.93211	3.7
152.92697	4.1
152.99631	4.8
167.95889	0.7
178.94281	14.0
194.93761	32.0
194.95479	1.4
196.89497	1.0
196.95271	1.6
212.94861	6.9
250.96382	3.9
253.12267	0.7
254.95863	3.9
259.73822	0.7
268.97455	38.9
271.16904	1.0
281.24774	1.2
293.23621	0.8
354.88434	0.7
401.17645	3.9
417.17355	4.7
435.18259	1.2
459.18488	10.3
473.19946	1.7
475.29321	1.1
477.19547	0.9
533.21851	3.2
535.31091	3.0
557.29816	1.1
586.52509	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95899	73.9
81.69926	0.5
85.30343	0.5
96.96947	16.3
114.38976	0.7
122.09265	0.6
128.07924	0.6
150.98044	2.0
152.99590	100.0
164.30363	0.5
171.00661	3.3
223.00098	9.2
241.01196	23.5
259.02261	2.3
277.21738	67.9
278.22095	2.4
299.44427	0.6
315.04959	11.8
333.06161	1.3
430.20038	0.6
450.22806	0.6
560.67395	0.6
593.27380	98.0
594.27948	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	593.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95913	0.3
55.01883	1.4
55.59143	0.3
56.80455	0.3
57.03456	0.7
58.00607	2.8
59.01393	100.0
61.98851	2.4
71.01385	48.7
72.92365	0.3
72.99307	3.3
73.02951	2.0
79.76996	0.3
83.01385	2.6
83.31287	0.4
85.02953	10.2
85.42201	0.3
86.73862	0.3
87.00887	2.3
89.02444	62.5
95.01378	4.0
95.16125	0.4
96.95995	0.5
99.00902	0.5
101.02441	25.6
111.00842	0.4
113.02448	21.1
119.03491	22.9
125.02480	0.4
131.03580	2.3
136.18317	0.4
143.03523	3.9
149.04639	2.1
161.04568	4.0
179.05615	15.7
190.99883	0.5
193.05089	0.6
225.14581	0.4
246.05872	0.4
299.09412	2.4
308.54977	0.4
353.19934	1.5
533.26080	48.1
534.26788	2.2
593.19324	0.9
600.51086	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52765	0.5
55.01899	4.7
57.03460	3.3
58.00604	2.7
59.01395	100.0
61.98833	2.3
68.21053	0.5
68.60983	0.6
71.01389	79.5
72.99308	2.8
73.02950	15.9
75.00887	0.9
83.01389	8.0
85.02959	25.8
86.00070	0.7
87.00883	10.7
89.02445	83.3
90.53107	0.6
92.12363	1.3
95.01390	5.7
96.96004	2.3
97.02934	1.0
97.28614	0.5
99.00887	5.1
101.02441	60.5
113.02447	39.0
119.03496	30.0
125.02452	2.8
129.01920	0.7
131.03494	14.7
131.04393	1.0
143.03499	6.0
149.04591	2.7
150.03233	0.8
159.03015	3.1
161.04549	26.7
179.05621	70.7
195.19098	0.6
199.86223	0.8
221.06676	39.7
263.07742	22.6
279.95633	0.7
281.08820	0.7
323.09738	1.4
341.10950	2.2
344.38785	0.7
371.20630	0.7
509.21283	0.7
533.26050	56.8
534.26318	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	593.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.1
57.03442	5.6
59.01383	50.8
61.98841	8.5
69.03439	1.0
71.01381	52.2
71.34345	0.7
72.39856	0.8
72.99287	1.4
73.02944	12.4
74.02459	1.3
79.55098	0.8
81.82790	0.8
82.95402	0.8
83.01376	9.6
83.04930	0.7
85.02463	1.4
85.02943	28.1
87.00863	4.1
89.02444	21.9
92.12337	1.2
95.01371	5.3
96.95990	3.2
97.02943	1.6
99.00890	6.2
101.02433	35.9
110.07207	0.9
113.02446	24.1
119.03468	7.6
125.02395	3.8
131.03439	1.1
143.03465	3.1
150.03253	8.1
154.06241	1.6
159.02969	1.8
161.04552	11.6
165.05547	14.0
185.06084	1.2
200.09644	0.8
209.15448	6.7
227.03502	7.1
229.05042	1.3
232.03716	1.0
255.02959	7.8
257.04529	1.2
284.03271	10.7
285.04022	11.0
371.20795	21.9
414.97971	0.8
533.26044	100.0
534.26489	4.0
555.21027	5.2
557.21558	1.2
557.31067	1.0
593.15021	10.2
593.34924	1.2
604.41101	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	7.0
57.03448	4.5
58.00590	1.0
59.01384	46.9
61.98550	0.5
61.98832	12.4
69.03431	0.9
69.88108	0.5
71.01377	59.6
72.99285	3.2
73.02940	18.8
75.00884	0.7
75.62490	0.5
82.95416	1.2
83.01380	11.1
85.02941	27.5
87.00861	4.3
89.02428	23.0
92.65385	0.6
93.03425	1.5
93.33411	0.6
95.01369	4.8
96.96001	5.2
97.02930	1.5
99.00865	8.2
101.02425	53.5
102.02802	0.8
107.01395	3.0
111.00880	0.7
113.02431	23.5
119.03484	8.6
120.03818	0.6
122.40733	0.5
125.02428	4.3
129.01898	0.8
131.03445	1.2
132.02179	0.8
135.00873	1.0
143.03473	3.1
143.05029	0.7
145.02959	0.6
151.00371	2.4
159.02982	4.3
159.04480	2.5
161.04556	16.0
163.00339	3.2
164.01042	0.7
167.04970	0.7
169.06601	1.0
171.04539	0.6
173.06067	0.8
179.05640	6.5
185.06078	3.2
187.04021	3.8
189.05557	0.8
195.04384	0.7
199.03946	1.1
205.98534	0.9
209.15437	3.2
211.04015	3.0
213.05612	1.2
221.01041	1.0
221.06613	2.4
227.03510	38.0
228.03877	1.4
229.05049	12.7
239.03520	2.8
241.05103	2.4
255.02992	62.0
256.03574	8.2
257.04544	8.2
263.07654	0.9
284.03271	63.0
285.04041	70.4
286.04428	5.6
323.09851	1.0
338.07974	0.9
353.10367	2.6
371.20792	23.0
372.20947	0.9
451.78613	0.7
521.76965	0.7
533.26068	100.0
534.26361	6.1
593.15143	45.6
594.15570	8.7
614.31348	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65640	0.9
59.09752	1.0
78.95902	2.3
81.71896	1.0
84.03767	1.0
125.09669	2.0
277.21735	100.0
278.22113	1.9
293.77347	1.3
352.53122	1.1
593.40051	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08036	0.1
50.31504	0.1
50.51173	0.1
59.01387	4.0
71.01387	0.5
73.79095	0.1
97.41310	0.1
152.93083	0.1
153.74466	0.1
221.19099	0.9
239.20200	100.0
240.20514	2.2
277.21631	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.2
66.08002	0.2
71.01363	0.5
76.56828	0.2
85.02961	0.2
88.46836	0.2
89.02441	0.3
91.01824	0.3
92.11731	0.3
96.96004	2.6
96.96949	0.3
101.02394	0.3
120.02143	1.0
121.02945	100.0
122.03281	0.9
123.98548	0.2
129.44043	0.3
136.01674	0.8
171.49557	0.2
172.42641	0.2
209.04575	56.6
210.04913	0.3
232.15369	0.2
440.35394	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2896
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
52.61435	0.3
54.82232	0.4
56.24113	0.4
62.47985	0.4
69.04122	0.4
78.95901	72.8
82.68871	0.4
90.36613	0.4
96.96960	14.6
100.44901	0.5
102.55409	0.4
102.69771	0.4
135.46310	0.4
145.79582	0.4
150.98013	1.0
152.99591	88.5
154.25360	0.4
171.00636	2.1
205.35106	0.5
223.00166	10.0
241.01212	23.4
242.22426	0.4
259.02200	0.9
269.29874	0.4
279.23309	78.6
280.23663	0.6
315.04929	12.6
333.05814	0.8
414.49103	0.4
595.28992	100.0
596.29529	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	595.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85866	0.5
55.01885	5.7
57.03431	3.9
58.00594	1.0
59.01389	44.3
59.01687	1.7
59.63294	0.6
61.98833	9.4
63.02381	0.5
63.79806	0.7
69.03444	1.4
69.61047	0.6
71.01382	51.5
72.99303	1.5
73.02945	17.0
75.00854	0.8
81.03437	1.0
81.04354	0.7
83.01383	9.0
84.95090	0.7
85.02951	30.6
87.00862	3.3
88.98753	0.8
89.02443	20.5
93.03446	2.5
95.01337	2.7
96.95992	1.5
97.02937	1.3
99.00865	6.0
101.02434	43.7
107.01349	2.8
108.01704	0.7
109.02953	0.8
111.00868	0.9
113.02444	22.3
119.03496	5.7
121.84412	0.7
123.59016	0.7
125.02393	2.6
128.07133	0.8
129.01944	0.8
131.03455	0.7
132.02164	0.7
135.00859	1.4
143.03447	2.8
149.02380	0.8
151.00362	3.1
157.06580	0.8
159.02972	3.4
159.04422	1.3
160.04819	0.7
161.04559	15.2
163.00346	3.0
166.02663	1.2
167.04980	0.8
169.06575	1.2
171.04442	0.9
175.03993	1.0
179.05551	2.9
181.05066	1.0
184.04845	0.9
185.06024	2.6
186.06374	0.8
187.04015	1.2
188.04425	1.1
198.06357	0.6
199.03973	1.0
211.03963	2.6
212.04407	1.3
227.03531	28.6
228.03848	22.1
229.04169	13.4
230.05455	7.2
231.05626	4.8
233.08133	0.9
239.03551	0.9
241.04979	0.7
242.05243	0.7
253.04922	0.8
255.03014	45.0
256.03360	39.6
257.03574	27.6
258.04504	5.8
259.05023	3.0
279.06693	1.0
284.03293	38.3
284.06503	1.3
285.03897	65.5
286.04169	65.0
286.08859	0.9
287.04599	38.1
288.04861	1.3
295.05988	0.8
325.10837	1.2
337.10916	1.5
355.11957	1.4
373.22314	16.2
417.21649	0.9
460.44601	0.7
535.27557	100.0
536.27954	3.3
595.15643	93.5
596.15771	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	596.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07588	0.5
54.78193	0.5
54.82902	0.6
59.01373	2.6
61.98836	38.0
63.08262	0.5
71.02511	1.0
72.00909	2.7
74.02470	3.5
76.66256	0.6
82.02982	16.5
85.04065	0.6
88.17487	0.5
89.02427	0.8
91.05523	0.7
92.12424	0.7
93.03455	3.5
99.02024	0.9
108.00931	2.6
111.42959	0.7
113.07211	22.3
116.05025	1.3
119.05016	12.5
125.03591	0.9
128.85329	0.6
133.05399	1.0
134.06119	7.0
139.04066	1.1
139.05139	31.3
146.06113	23.1
160.07697	3.1
162.05632	0.9
163.04004	9.4
178.78027	0.6
179.08250	5.0
180.06665	44.9
189.06689	3.2
191.08286	3.5
205.06223	11.0
222.08891	1.4
225.10368	0.7
243.11450	9.6
249.34685	0.6
265.13464	0.8
266.11874	44.1
283.14496	0.7
301.21353	0.6
318.14685	2.7
327.13474	12.9
352.13162	2.5
361.85129	0.6
380.20020	1.1
408.44315	0.6
424.18805	42.0
425.19235	2.8
450.16705	1.3
465.56808	0.7
533.20490	100.0
534.20850	6.6
536.31982	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44271	0.3
53.56484	0.3
58.00586	0.7
59.01385	37.5
61.06858	0.4
70.31245	0.3
71.01382	27.0
72.00906	11.8
72.01663	0.4
72.99306	0.9
73.02946	8.7
73.10160	0.3
74.02470	20.2
75.06110	0.3
85.02937	2.0
87.00843	0.5
89.02440	65.9
90.02763	0.5
92.11952	2.0
96.95996	0.5
97.02930	0.6
99.00874	18.9
101.02440	22.4
103.04005	0.7
113.02438	3.6
115.03880	0.5
116.05064	57.8
117.05411	0.9
119.03489	1.7
125.02460	3.5
130.06638	0.8
131.03502	8.5
142.06624	15.0
143.03467	1.5
149.04559	43.7
157.07735	0.7
159.09270	12.1
161.04597	4.4
163.06079	0.4
172.04033	0.5
186.05594	2.6
190.05058	0.5
191.05635	10.1
203.08286	100.0
204.08685	3.7
204.91161	0.4
221.06696	6.7
231.30452	0.4
251.07744	5.5
281.08948	0.5
290.75165	0.4
293.08743	3.1
307.10342	0.8
311.09921	5.9
330.55872	0.4
392.15677	2.6
455.66687	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07996	0.1
55.45051	0.1
58.02997	0.9
59.01390	1.9
59.93291	0.1
75.06101	0.1
96.96014	0.2
128.10825	2.6
130.08733	100.0
131.09074	0.9
146.53867	0.1
171.10309	0.1
172.09798	67.4
173.10144	0.7
174.99251	0.6
215.09235	0.6
216.08728	1.2
217.00298	1.4
270.05743	0.2
280.84653	0.1
477.12552	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34108	0.2
54.49746	0.2
58.38073	0.2
59.01385	3.1
61.98836	100.0
64.40376	0.2
71.01402	2.2
73.67100	0.2
74.35032	0.2
75.00892	0.2
75.71970	0.2
75.79972	0.2
75.83463	0.2
78.95874	0.3
85.02972	1.0
89.02451	1.7
96.23469	0.2
96.95979	0.4
101.02470	1.0
113.02472	0.5
118.98316	0.2
119.03529	0.2
138.43100	0.2
149.50984	0.2
179.05655	0.3
278.09180	0.2
340.91919	0.3
363.07547	0.2
424.19208	0.3
481.54529	0.3
535.27155	0.3
536.27222	0.7
559.03302	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93316	0.2
59.01391	1.3
61.39758	0.2
61.98846	0.3
66.64516	0.2
69.31303	0.2
73.25949	0.2
73.70742	0.2
74.45009	0.2
85.06594	0.4
87.68837	0.2
91.05529	54.9
91.91827	0.3
93.03421	0.4
93.36636	0.2
96.95991	1.2
101.02412	0.2
119.05024	0.3
121.32246	0.2
125.02442	0.3
130.08788	0.2
131.07137	0.5
135.04518	5.8
141.03784	0.2
145.43326	0.3
163.04012	100.0
164.04362	1.8
166.79025	0.2
172.03375	0.2
190.05104	13.0
192.97484	0.2
195.39496	0.2
213.78206	0.2
220.67557	0.2
223.75502	0.2
258.40125	0.3
267.06543	0.3
345.13504	0.8
356.08368	0.4
357.13568	0.3
386.09848	0.4
436.81812	0.2
485.46344	0.2
596.17218	0.4
620.59735	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82497	1.5
57.03462	1.6
59.01146	2.2
59.01391	38.0
59.12850	1.9
61.98820	13.0
68.31896	1.6
68.99813	1.8
71.01384	29.8
73.02933	9.6
74.52858	1.9
75.00864	4.7
78.95901	2.2
81.03471	4.0
83.01370	8.8
85.02943	11.2
87.00843	2.9
89.02440	18.7
93.03452	8.0
95.01363	4.1
95.05014	7.2
97.02949	8.6
97.44052	2.0
99.04465	2.1
101.02425	13.5
109.02929	2.8
110.72347	1.7
113.02451	11.2
116.96977	1.9
119.00195	2.0
119.03522	2.0
119.05019	8.9
121.02950	18.6
123.04519	12.5
125.02432	19.4
135.04498	8.4
137.02422	10.2
137.06053	8.4
139.04007	9.2
143.04990	2.9
147.04524	4.8
149.02460	2.7
149.06087	3.4
150.03181	2.3
151.03992	7.6
152.01183	2.2
160.34828	2.2
161.02457	2.6
161.04617	2.2
165.01944	2.7
165.05574	11.4
166.02713	22.4
167.03487	48.8
177.02112	3.2
177.05585	3.8
179.03506	20.8
179.05641	3.6
179.07094	2.4
180.04288	2.3
181.05037	19.5
189.05553	9.6
191.07246	2.0
193.05070	8.0
195.06535	2.6
197.04465	7.5
207.01248	15.2
209.04532	20.0
221.04550	4.5
221.06610	2.4
224.75768	1.8
239.05595	16.1
269.06552	3.4
273.07724	9.7
276.86533	2.2
291.97504	2.6
309.07828	2.2
311.09286	2.0
315.08817	25.5
327.08725	12.1
327.12445	7.5
330.11133	2.5
341.10306	2.2
342.11212	2.5
345.09781	14.9
357.09842	16.9
357.13498	3.0
375.14352	2.4
387.10895	100.0
387.15921	3.6
395.78378	2.2
399.10526	9.8
417.12021	37.7
435.12988	4.1
459.12418	2.6
477.14111	12.9
489.14047	8.7
507.15311	12.2
519.19043	2.7
537.28192	15.3
556.66772	2.2
597.18475	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	597.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.4
61.98844	0.5
64.63583	0.4
68.99817	1.1
69.03466	0.9
71.01360	3.7
72.24028	0.5
73.02938	0.8
75.00869	4.7
79.05513	0.6
81.03460	10.1
83.01388	9.0
83.05023	0.6
85.02961	2.6
92.12305	0.8
93.03445	7.8
95.01402	2.6
95.05017	7.0
97.02938	6.8
99.04508	3.9
101.02438	0.8
105.03472	1.0
107.05016	2.3
108.02197	0.5
108.75884	0.5
109.02945	4.6
109.06576	0.8
111.00880	0.8
111.04520	3.5
113.02439	2.3
119.05021	11.5
121.02961	5.2
121.06595	2.0
122.03694	1.1
123.00947	0.7
123.04521	21.3
124.01693	0.7
125.02435	15.7
125.06026	0.5
133.06554	0.7
135.04515	7.9
137.02446	7.2
137.06084	12.0
139.04013	13.9
141.05565	0.6
147.04500	4.5
147.23447	0.6
149.02434	2.8
149.06073	1.2
150.03191	0.6
151.04019	5.6
153.05608	3.2
155.03517	0.9
157.81572	0.5
159.04561	0.7
161.06084	2.4
163.04036	5.0
163.07686	2.3
164.04851	0.8
165.00655	0.5
165.01959	3.1
165.05573	10.5
166.02722	2.2
167.03502	37.8
173.06078	0.6
173.22095	0.5
175.03940	0.8
177.01884	0.6
177.05580	3.9
179.03508	13.4
179.07083	0.7
180.04202	1.1
181.05067	3.8
185.08209	0.9
187.04008	0.6
189.05565	12.3
190.02881	0.7
191.03513	2.6
191.07150	0.8
193.05060	7.2
195.06572	0.6
197.04605	7.8
203.03618	0.6
205.05080	2.8
207.03073	1.1
207.06641	2.2
209.02576	1.3
209.04570	35.3
219.02963	0.7
219.06657	0.9
220.03824	0.9
221.04619	6.7
223.06192	2.5
227.29008	0.7
229.08704	2.2
233.04599	2.1
235.06084	1.1
239.05602	13.3
243.43849	0.6
245.04733	0.6
251.05598	6.9
263.05637	2.9
269.06750	3.3
271.10071	0.6
273.07803	4.7
281.06638	1.1
285.07755	2.6
299.09274	0.8
315.08807	19.6
327.08771	10.7
328.09381	0.5
341.10336	1.9
345.09799	7.0
357.09851	100.0
358.10007	2.3
369.09631	4.2
371.11475	0.8
387.10910	65.7
388.11368	1.0
399.10895	3.3
417.11948	21.8
429.12158	0.8
459.12915	9.8
471.12186	0.7
477.14124	20.7
489.14090	5.4
507.15253	0.8
537.33069	0.8
579.16949	1.1
597.18054	9.5
597.25970	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	62.5
64.51337	0.3
69.33579	0.3
71.01371	1.9
85.04248	0.3
89.02438	1.4
90.78276	0.3
93.03451	0.5
95.01364	0.3
96.95987	0.4
120.86111	0.3
121.02959	8.5
122.03719	3.6
133.02934	0.6
136.01610	0.5
138.03262	0.5
146.03741	11.5
146.04826	0.6
147.04466	0.7
147.60043	0.3
148.01707	0.5
149.02444	62.4
150.03226	40.3
150.77544	0.3
153.05618	0.4
161.06082	3.2
164.04802	22.9
165.05566	53.3
179.05550	0.8
179.07124	13.8
180.04240	4.6
195.06625	27.8
203.09378	0.4
227.12872	0.4
236.28047	0.4
268.07416	1.3
269.08157	1.3
280.07370	1.7
281.08353	1.2
283.09811	3.2
288.04523	0.4
296.69986	0.4
297.07697	1.4
297.11017	0.6
304.74878	0.4
312.10083	31.5
327.12418	100.0
328.12857	1.3
357.13602	0.5
363.51450	0.4
375.14529	29.6
597.17914	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
55.11349	0.3
56.57678	0.2
57.03458	1.4
58.00607	3.0
59.01387	100.0
61.98825	0.4
71.01382	50.9
72.99308	3.5
73.02945	0.7
83.01387	1.4
84.02180	0.3
85.02945	10.3
86.14403	0.3
87.00868	1.5
88.98826	0.4
89.02441	68.5
92.11698	0.8
95.01392	3.6
101.02441	21.8
108.10805	0.4
113.02447	19.8
119.03489	25.2
121.02988	2.6
123.04539	0.4
127.07693	0.3
131.03487	2.2
134.03825	0.4
135.46733	0.3
136.01614	0.6
143.03517	3.3
146.03743	1.3
149.02434	6.8
149.04517	2.0
150.03119	0.3
151.03969	1.2
161.04549	5.1
161.05865	0.5
164.04750	2.1
165.05482	0.4
179.05620	28.6
179.07050	1.3
193.05106	0.4
209.04565	0.6
312.09955	1.8
324.09998	0.4
327.12509	2.8
339.12216	0.7
357.13150	1.9
375.14575	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2327
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
53.83598	2.9
58.32256	2.7
59.01380	24.1
61.98837	5.2
68.48686	2.6
71.01370	18.7
73.02940	7.0
85.02945	15.8
85.44460	2.4
87.00869	4.4
89.02435	10.9
93.88013	2.8
96.95986	13.8
98.92947	2.8
101.02448	12.4
113.02452	17.8
161.04527	2.6
161.69051	3.1
166.59158	2.8
250.29759	2.9
499.22006	46.8
511.21906	38.7
531.24664	11.9
543.24371	6.0
555.63171	3.7
597.23322	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	597.3051
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
53.57487	0.4
59.01389	3.7
65.06631	0.4
71.01379	1.9
78.95901	100.0
89.02422	1.6
89.39727	0.4
95.21769	0.5
96.96957	21.3
98.20279	0.4
101.02449	1.0
111.47313	0.5
143.44765	0.4
150.98033	1.6
152.99590	83.5
154.71881	0.4
171.00635	3.4
223.00137	8.1
241.01207	19.4
259.02237	0.9
281.24878	77.3
282.25275	2.2
315.04910	22.4
333.05914	2.0
538.51654	0.5
597.30548	84.8
598.30804	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	597.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02407	0.9
55.01889	2.7
56.14778	0.9
57.03469	7.9
58.00600	2.5
59.01388	93.2
61.98836	32.5
69.03454	1.3
70.80822	1.0
71.01382	55.4
72.99297	1.6
73.02937	11.9
75.00858	1.3
78.95885	1.8
80.30865	1.1
82.83478	1.1
83.01396	8.1
85.02949	22.9
87.00864	2.5
87.04530	1.9
89.02443	50.8
90.02753	1.0
95.01385	5.6
96.95950	1.4
97.02933	1.3
99.00873	5.6
101.02446	43.1
113.02444	27.0
116.92868	1.4
119.03492	20.4
123.08174	2.8
125.02494	1.2
137.09674	2.0
143.03529	1.3
148.03410	1.2
149.09700	2.3
152.10735	1.2
159.02975	2.6
161.04576	12.7
164.04805	25.6
165.05093	1.1
167.10817	2.2
179.05606	6.3
179.07141	22.8
187.13347	1.7
217.14471	11.7
231.16008	29.9
243.56390	1.1
285.07315	1.3
305.16165	20.9
306.16776	1.2
319.17627	5.9
331.11823	1.3
375.23434	1.4
375.27792	10.2
396.08942	1.4
448.34894	1.4
498.08813	1.2
537.33276	100.0
538.33173	6.9
597.31464	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56400	0.2
53.93807	0.2
55.10501	0.2
58.02989	0.3
59.01389	2.5
60.99295	0.3
61.98837	3.6
67.32835	0.2
71.01376	1.5
75.00874	2.5
78.02756	0.2
80.05090	0.3
81.03453	17.8
81.26063	0.2
82.06628	0.2
83.05025	58.9
85.02928	0.4
88.25347	0.2
88.98800	2.5
89.02439	0.8
100.07684	9.8
101.02435	1.1
105.20846	0.2
108.04578	0.3
111.09303	0.3
113.02456	0.8
119.03513	0.2
125.07172	0.4
126.05608	1.2
127.04033	0.3
145.05074	0.2
157.13467	0.4
173.81920	0.2
182.15495	0.5
192.75456	0.2
199.18179	12.2
207.15079	1.0
224.17688	1.6
225.16106	11.3
226.14589	0.4
226.16547	0.3
242.18619	0.2
243.17143	27.6
244.17470	0.3
269.15051	2.2
282.01666	0.2
291.20889	0.3
308.23303	0.2
309.21805	1.7
335.19720	0.3
341.29205	0.3
353.20840	10.4
375.27551	0.3
425.34995	0.4
433.32205	0.3
451.04834	0.3
451.33112	2.9
452.30963	0.2
469.33978	21.8
470.34149	0.3
493.58124	0.3
495.31854	0.4
535.38989	0.3
537.32654	2.1
553.40051	0.7
575.42352	0.2
579.37610	5.5
597.38818	100.0
598.30341	0.3
598.39178	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	597.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13350	64.3
55.04078	61.9
56.00523	58.3
89.50411	74.1
280.70773	100.0
328.95294	83.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58940	0.4
54.95883	0.5
55.01870	0.7
57.03455	0.5
58.00616	0.6
58.73388	0.4
59.01386	34.3
69.03442	4.3
71.01381	31.4
72.00524	1.0
72.00905	19.0
73.02941	5.9
75.00858	1.1
81.03456	2.8
83.01395	2.8
85.02946	4.8
87.00889	0.8
89.02439	41.8
91.05489	1.0
91.40287	0.6
92.65220	0.5
95.01363	2.2
96.95994	1.0
97.02953	5.4
99.00865	6.6
99.04512	0.8
101.02426	7.5
111.02048	0.5
113.02437	3.8
115.04016	4.6
122.67733	0.6
123.00851	2.0
124.01649	9.7
125.02436	24.1
127.07607	0.9
130.08704	1.3
131.03473	2.4
134.49423	0.6
138.03177	0.6
139.03998	4.0
143.03506	1.1
147.04521	64.5
149.04521	4.9
161.04538	1.1
164.07172	100.0
165.07475	1.0
171.06593	0.7
173.04550	0.6
183.86696	0.6
189.07582	0.8
191.05600	4.7
233.06686	13.9
244.13130	2.0
293.08801	56.0
294.09186	1.3
307.43619	0.6
351.13348	2.6
366.45004	0.5
433.13556	31.8
434.14438	0.8
521.74438	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
55.29216	0.9
57.33321	0.9
59.01384	7.8
61.98835	100.0
70.89410	0.9
71.01379	2.6
73.02934	1.3
84.62866	1.2
85.02943	2.0
87.36060	1.0
89.02427	1.0
92.12444	2.3
96.96002	1.1
101.02434	3.8
103.44229	1.0
113.66553	1.0
146.90746	1.1
168.25792	1.1
227.16493	2.4
250.31192	1.2
301.14401	1.3
376.68539	1.1
389.21701	4.7
535.27704	48.0
536.28052	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	598.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55501	0.2
54.44420	0.3
54.47416	0.3
55.01883	0.3
57.03468	0.4
59.01392	4.7
59.29787	0.3
61.98836	100.0
64.33631	0.4
71.01382	3.9
73.02950	1.8
80.01440	0.3
83.01391	0.8
83.55469	0.3
85.02955	2.6
87.00880	0.5
89.00341	0.3
89.02457	0.6
96.96032	0.7
101.02467	2.2
113.02456	0.6
125.02412	0.4
167.47417	0.3
181.16179	0.4
227.16513	3.6
230.81119	0.3
371.20917	0.4
389.21860	5.5
517.26935	1.2
535.27667	46.4
536.27850	2.6
623.18292	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02715	0.6
58.02984	13.8
58.99601	0.5
61.22427	0.4
61.98826	0.9
66.02789	0.4
66.03474	0.8
70.02980	0.7
71.01374	0.7
72.00895	2.8
74.02476	23.6
74.26038	0.4
81.04576	1.0
82.02979	3.2
83.51048	0.5
84.00920	0.6
84.04539	0.8
86.02486	10.1
86.06125	1.0
86.99108	2.4
87.05650	8.1
88.04039	1.0
90.00178	2.7
96.04557	0.7
97.04058	3.5
99.05642	25.3
101.07206	3.7
102.05605	4.0
107.06123	1.1
109.04066	3.5
109.07707	0.9
111.05626	2.5
112.04031	3.7
113.07214	1.0
116.01760	1.3
123.05643	3.6
124.04040	2.2
125.03555	3.5
126.01971	0.8
127.05138	4.7
128.03539	66.1
131.04601	1.0
135.05647	8.4
137.07188	2.2
139.05098	0.6
141.06677	6.6
143.04631	88.1
145.06204	3.5
146.04575	6.9
153.06720	7.6
160.00748	20.6
166.09880	4.3
167.04611	6.1
167.08286	2.3
171.04050	1.1
171.07738	0.9
171.47318	0.6
177.03404	8.4
179.04637	15.8
180.07939	0.6
181.06209	3.2
184.10817	1.8
185.05670	3.3
192.07770	1.3
197.05623	2.3
198.08813	0.8
210.06984	0.8
210.08867	15.2
224.31766	0.5
228.09918	0.6
242.07793	2.2
254.07852	14.9
272.08914	27.9
273.18631	0.7
288.06589	7.9
306.07700	100.0
307.08002	0.9
312.53525	0.6
382.30215	0.6
598.19202	0.8
598.28137	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	598.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02714	0.7
58.02986	15.9
59.01375	0.7
59.77147	0.6
61.98828	0.8
64.37606	0.6
66.03506	0.9
68.05090	0.8
70.02985	0.8
72.00909	0.9
72.97518	2.7
74.00693	1.2
74.02076	1.0
74.02480	25.6
81.04577	3.3
82.02968	4.4
84.04540	1.3
86.02489	10.9
86.06108	2.8
87.05661	7.2
93.60590	0.8
96.04524	1.0
97.04066	4.4
98.98831	0.7
99.05647	32.2
100.00393	1.7
101.07201	5.4
102.05605	4.3
107.06161	0.9
108.04543	0.9
109.04079	5.6
109.07720	2.7
111.05646	1.7
112.04024	1.5
113.04321	0.9
116.92914	0.7
123.05636	3.1
124.04041	1.3
125.03576	3.7
126.04341	0.8
126.92638	0.7
127.05130	4.4
128.03543	69.2
135.05669	10.6
137.07188	3.2
141.06746	5.4
143.04637	100.0
145.06195	3.0
146.04590	7.5
149.07162	1.0
151.05154	1.4
153.06735	6.0
155.08237	1.3
166.09859	4.1
167.04616	3.0
167.08298	5.9
168.12764	0.7
171.04153	1.3
179.04633	19.6
181.06264	1.6
183.20683	0.8
184.10909	1.1
185.03944	0.9
185.05672	1.2
192.07828	1.1
197.05617	1.7
210.08861	18.1
223.13420	1.1
228.09804	1.0
254.07864	38.3
256.11368	2.9
272.08914	76.8
291.19821	3.6
325.18570	6.0
469.24146	5.2
580.27130	4.6
598.28137	50.5
599.28583	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	599.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75985	0.5
56.97240	0.5
57.03456	0.5
58.00594	0.6
59.01110	0.7
59.01395	16.6
59.07727	0.4
60.01721	1.1
61.01785	0.5
61.98843	28.1
63.60231	0.5
64.34757	0.5
71.01392	9.0
72.01736	0.6
72.99260	0.5
85.02956	1.0
89.02448	9.1
92.11706	1.0
93.03430	0.9
98.02176	0.5
99.00809	0.6
101.02450	3.9
108.02180	0.6
109.02924	3.3
112.56738	0.5
113.02436	2.9
119.03484	3.2
121.02945	5.2
122.03722	7.3
123.00869	1.3
123.04535	10.9
137.02411	2.6
137.22310	0.6
138.03242	3.9
139.00356	0.7
139.04008	2.5
146.03728	1.3
149.02449	8.8
150.03223	40.7
151.00383	4.7
151.04045	8.9
153.05582	34.6
154.02757	0.7
161.04590	1.0
161.97391	0.5
164.04848	2.4
165.01933	4.2
165.05563	51.8
166.02716	83.2
167.03488	40.6
177.05606	1.3
179.05624	3.1
179.07053	0.9
180.04294	6.0
180.05742	0.7
181.05070	100.0
182.05835	14.4
182.63370	0.7
183.14766	0.5
193.01414	2.3
195.06654	13.2
196.07265	0.6
208.03862	4.6
209.04570	1.0
212.03476	0.6
223.06111	6.5
225.04053	18.5
226.04858	28.4
240.06375	2.3
241.07184	8.8
306.65961	0.5
310.11636	0.5
315.08728	0.7
330.10834	0.6
422.12161	1.1
437.14542	35.6
521.19531	0.6
538.29779	0.9
539.34711	2.1
584.17407	2.3
599.19934	65.8
600.20288	3.4
617.88263	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90091	0.5
53.73097	0.6
54.10915	0.5
54.82661	0.5
59.01112	0.7
59.01385	17.2
61.98837	0.7
71.01371	4.2
75.00838	0.8
82.09287	0.6
84.30293	0.6
87.06240	0.5
87.75856	0.5
89.02429	3.3
93.03498	0.7
95.05099	0.7
96.95963	0.8
101.02431	1.4
109.01677	0.6
109.02958	1.3
109.68204	0.7
110.02438	2.6
113.02442	0.9
115.00352	0.8
119.03439	1.1
119.91808	0.6
121.02950	5.4
122.03734	6.5
123.00918	1.2
123.04510	11.5
125.02409	1.0
131.07135	0.8
133.01421	3.4
137.02449	3.5
138.03203	3.7
139.04012	3.9
147.04483	1.0
149.02451	15.0
149.06097	0.8
150.03223	40.1
151.00409	5.4
151.04012	10.9
153.02000	0.7
153.05574	33.4
153.75729	0.6
154.05862	0.8
163.03993	1.3
164.04787	5.7
165.01913	4.9
165.04138	1.1
165.05565	50.6
166.02713	79.3
167.03493	61.3
168.03922	1.0
174.99246	0.8
177.05557	1.1
180.04333	5.4
181.05063	100.0
182.05852	19.8
192.00618	3.1
193.01353	2.5
195.06616	16.4
197.08260	0.7
203.08339	1.4
207.02963	3.8
208.03743	3.9
209.04549	0.8
217.00331	1.2
223.06168	6.9
225.04030	18.1
226.04843	43.2
227.05240	1.0
240.06406	1.1
241.07179	15.2
283.07175	0.8
301.08185	1.3
314.11517	1.0
315.08789	6.8
319.09213	0.7
321.26230	0.7
329.13968	2.8
330.11218	2.8
345.13403	1.0
356.38562	0.7
369.35861	0.7
371.11261	4.4
374.10001	3.6
377.16040	3.4
389.12512	1.5
419.13510	1.0
422.12222	3.0
437.14548	57.4
438.14786	2.4
584.17310	1.2
599.19904	60.5
600.20557	3.5
626.05817	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57792	0.4
55.01883	0.9
57.03461	1.0
58.00594	3.3
59.01389	100.0
61.98830	1.3
67.23636	0.5
71.01382	56.7
72.99301	3.9
73.02951	0.8
83.01391	1.2
85.02950	10.3
87.00874	2.6
89.02441	62.7
92.12364	0.6
95.01392	4.1
99.65637	0.5
101.02441	27.1
101.53841	0.5
108.02213	0.7
112.14923	0.6
113.02448	18.2
113.03242	0.6
119.03495	24.0
121.02957	4.8
123.04533	0.9
131.03513	4.0
132.85092	0.6
143.03525	5.5
145.02966	3.5
145.94604	0.7
146.03812	0.9
147.04616	0.7
149.02469	1.1
149.04565	2.2
150.03215	1.0
161.02483	3.0
161.04530	5.0
162.03227	40.8
165.05569	0.8
166.02652	0.7
166.06361	12.6
166.07681	0.7
177.05573	22.7
179.05620	25.1
180.04289	0.8
181.08696	4.6
195.06610	2.5
199.70813	0.5
329.13794	0.8
357.12119	0.8
359.14709	0.8
539.21326	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	599.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03446	2.9
58.00594	0.8
59.01389	51.5
61.98839	40.3
71.01388	27.9
72.99289	3.0
73.02934	2.9
83.01382	2.6
85.02970	8.8
87.00855	1.2
87.04552	2.2
88.98780	2.7
89.02449	29.3
92.11791	1.3
94.18713	0.7
95.01370	2.5
96.96002	1.5
101.02433	19.0
113.02452	11.5
119.03485	10.4
126.91575	0.8
167.03519	0.9
169.12282	0.7
179.05591	1.6
184.71112	0.6
187.13362	1.5
239.68236	0.7
362.06656	0.8
375.27487	1.6
377.29089	14.6
538.94324	0.7
539.34381	100.0
540.34747	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	600.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96360	0.3
59.01390	3.4
60.04803	0.3
61.98838	100.0
71.01376	3.2
73.02955	0.8
83.01415	0.6
85.02962	0.5
89.02445	0.5
96.96020	1.6
97.88142	0.3
101.02427	1.3
109.02977	0.4
109.05730	0.5
116.92811	0.5
127.84622	0.4
130.17079	0.4
134.07022	0.4
163.28232	0.4
165.88470	0.4
229.18123	5.7
361.62436	0.4
373.22226	0.7
391.23538	6.0
519.28113	0.5
537.29236	38.8
538.29742	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59899	0.6
58.02748	0.8
58.02987	15.8
59.01360	0.7
63.74892	0.8
65.60447	1.0
66.03476	1.3
69.43995	0.8
72.00891	1.1
74.02484	28.0
81.04575	1.7
82.02972	5.1
84.00909	0.9
84.04531	1.1
86.02480	12.7
86.06107	1.0
86.99084	3.8
87.05628	7.9
93.04671	0.8
95.88847	0.8
96.04561	1.0
96.96059	1.0
97.04051	4.1
99.05644	28.6
100.00421	3.3
101.07193	4.5
101.15694	0.8
102.05605	7.9
107.06148	1.5
109.04062	5.0
109.07711	1.2
111.05640	2.0
112.04031	3.4
115.05861	4.5
118.90964	0.9
123.05627	1.5
124.04008	1.4
125.03540	4.1
127.05138	2.2
128.03531	75.4
135.05664	10.6
137.07137	1.4
141.06723	3.7
143.04626	100.0
144.06111	6.0
145.06244	3.8
146.04588	7.9
153.06735	6.9
155.08246	0.9
166.09863	5.2
167.04599	4.6
167.08302	7.4
169.06180	1.0
170.03282	3.5
171.04060	1.1
179.04645	21.6
181.06161	4.1
185.05690	3.4
192.07884	2.0
197.05688	2.0
210.08855	19.8
211.13376	0.9
213.05960	0.9
229.14415	1.0
254.05370	1.8
254.07840	31.8
272.08902	70.5
293.21252	5.6
327.19974	9.6
471.25250	3.8
556.36987	1.0
582.28473	7.1
600.29688	57.3
601.29559	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49124	0.9
57.26909	0.9
59.01386	100.0
59.78929	0.9
61.95810	1.2
71.01388	1.4
78.66956	1.2
78.95915	1.3
79.33093	1.2
96.96006	2.5
103.35432	1.1
103.40041	1.1
106.87283	1.2
117.00438	8.6
120.10999	1.1
136.94019	2.1
145.78133	1.2
152.86432	1.2
155.64029	1.2
157.03548	1.5
159.01500	66.5
160.01567	1.2
174.99277	17.1
178.95024	1.5
201.02573	32.5
217.00320	39.2
272.85458	12.4
273.85657	1.7
274.85083	11.1
274.99405	2.6
276.03476	1.3
276.88605	2.2
290.86450	11.1
291.86539	1.8
292.86182	11.1
301.02701	38.6
314.86502	18.1
315.86655	2.4
316.86163	12.7
316.89545	2.1
317.00452	30.3
332.87500	7.4
333.87918	1.3
334.87277	5.7
359.01675	10.8
374.85275	1.6
420.40671	1.3
456.87445	9.0
457.87982	1.6
458.87576	20.8
459.01434	9.6
459.87582	2.1
541.00739	24.7
599.43597	1.5
600.88892	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	601.3911
Annotation	Lup-20(29)en-28-al-3beta-yl caffeate
Peak:m/z	Relative Intensity
50.36827	0.2
54.64637	0.2
59.47062	0.2
110.51942	0.2
116.92807	0.2
117.03455	18.0
119.05022	2.9
121.02943	2.9
123.04519	0.9
133.02927	0.8
145.02962	56.1
146.03296	0.5
153.09306	0.3
162.03188	0.3
163.04021	0.9
175.62814	0.2
209.89526	0.2
217.12946	0.2
285.15366	0.2
405.35687	0.2
423.27905	0.2
437.34326	1.0
447.29123	1.9
527.34991	0.2
557.40057	2.5
601.39069	100.0
602.39441	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	602.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34119	0.1
54.40627	0.1
54.78839	0.1
58.97785	0.1
59.01385	2.1
60.08870	0.1
61.98837	100.0
71.01392	1.0
72.01712	0.2
85.02943	0.2
89.02438	1.2
91.02892	0.1
92.11819	0.2
92.22218	0.2
94.99160	0.1
96.96008	0.3
98.65193	0.1
101.02460	0.6
108.91519	0.1
113.02479	0.2
116.59430	0.1
119.03495	0.3
121.02993	0.2
128.03612	0.2
136.58682	0.2
152.33014	0.1
162.03235	0.2
169.09770	0.1
186.86014	0.2
217.94798	0.2
281.16885	0.2
334.57394	0.2
448.78091	0.2
482.94574	0.2
492.33017	0.2
547.46613	0.2
581.17261	0.2
602.31012	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84297	0.3
60.66346	0.2
62.62236	0.2
73.02952	0.6
73.67711	0.3
81.99630	0.3
88.48735	0.3
97.22909	0.3
99.92574	10.3
99.93221	0.4
116.92852	100.0
117.01909	0.7
117.92841	1.1
142.65752	0.3
146.43724	0.3
453.33582	2.3
454.34210	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	603.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	16.2
61.98536	6.2
61.98833	100.0
69.15292	3.1
71.01372	15.3
75.72169	3.1
77.81951	3.4
83.01469	3.1
88.98800	5.6
89.02434	5.1
96.95998	6.0
101.02393	4.9
121.02973	47.1
122.03265	7.5
133.02956	8.0
135.69278	3.6
144.11147	3.4
149.02385	3.8
150.03215	17.4
151.04059	3.8
165.05560	26.8
176.12132	3.8
177.02036	4.3
178.02705	3.7
180.04218	4.0
195.06668	14.9
209.04636	17.5
209.08212	4.4
210.04964	6.6
223.78392	3.8
249.14764	3.6
314.05243	4.1
330.92023	4.0
344.80847	3.3
357.13568	5.3
438.82687	3.5
468.62997	4.2
573.19647	6.5
603.19415	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16726	0.2
57.03460	3.6
57.33316	0.2
59.01398	0.4
61.98841	1.3
68.08463	0.3
71.01364	0.8
81.03455	0.4
83.04583	0.4
83.05040	8.4
89.02454	0.3
92.12483	0.3
109.06581	2.1
111.08160	78.4
112.08511	1.0
120.50909	0.2
129.09222	4.8
135.04549	0.3
155.07118	0.4
162.66997	0.2
173.08186	100.0
174.08548	1.7
183.03906	0.2
215.12901	0.4
306.28525	0.3
479.54312	0.2
511.77475	0.2
521.00494	0.3
543.24634	0.4
594.73450	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96400	0.6
58.02986	17.6
58.99612	6.3
61.98840	1.1
66.03500	1.3
69.95248	0.6
70.02982	1.0
70.96785	0.6
72.00925	2.4
73.59250	0.6
74.02071	1.2
74.02481	29.3
76.57677	0.6
81.04574	2.8
82.02988	4.0
84.04560	1.1
86.02483	12.6
86.06117	3.2
86.99086	2.3
87.05639	7.9
88.04039	0.8
90.00181	1.3
95.02504	0.6
97.04078	4.3
99.05650	28.7
101.07217	5.0
102.05587	3.2
107.06100	1.4
107.22974	0.5
109.04074	4.5
109.07729	0.8
110.06093	0.7
111.03227	0.6
111.05679	1.0
112.04039	3.8
113.07257	0.8
116.01778	1.0
120.01302	0.9
123.05642	3.9
124.04034	1.5
125.03576	3.6
127.05111	5.5
128.03542	75.3
131.04660	0.8
135.05649	9.2
137.07202	3.2
139.05060	0.8
141.06718	5.0
141.62999	0.7
143.04633	100.0
145.06175	4.9
146.04619	9.3
153.06680	8.3
155.08188	0.9
160.00752	21.0
166.09869	5.7
167.04601	8.6
167.08218	5.0
170.03342	1.4
171.04170	1.0
177.03423	5.9
179.04628	19.2
181.06187	2.4
184.10883	1.1
185.05669	3.7
192.07773	3.2
197.05724	1.6
198.08855	1.4
210.08870	22.8
222.59746	0.6
224.04738	0.6
236.06886	0.9
239.07187	1.4
242.07797	1.2
243.10313	2.4
254.07826	20.3
256.07483	11.2
267.06662	64.3
268.06836	1.2
271.09793	37.8
272.08896	32.1
272.65735	0.8
282.09000	63.8
283.09625	1.2
288.06610	10.1
288.74429	0.7
297.07980	1.1
297.11340	25.0
306.07706	78.4
307.08200	1.0
331.10156	6.1
475.15503	2.9
586.18689	8.5
604.19781	89.3
605.20105	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	604.271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62759	0.7
57.73274	1.0
58.02998	6.1
59.01387	13.4
61.98841	1.3
66.03497	1.0
71.01395	5.7
74.02477	15.5
82.02988	1.5
85.02943	1.4
85.04096	1.1
86.02491	7.3
86.99121	1.2
87.05622	5.3
88.04037	1.2
89.02435	6.0
90.00210	1.3
92.65681	1.0
97.04076	1.6
99.05639	16.8
101.02431	5.5
101.07209	1.1
102.05600	1.5
109.04082	1.8
111.05678	1.4
112.04050	2.0
113.02449	1.9
116.01750	1.4
119.03461	1.1
123.05646	1.6
125.03539	1.2
127.05146	4.7
128.03534	40.3
131.99825	0.8
135.05641	3.8
141.06645	1.9
143.04633	63.9
145.06223	3.6
146.04611	6.5
153.06711	4.3
160.00745	14.7
163.04024	7.7
166.09908	3.5
167.04594	6.1
167.08401	1.2
177.03407	4.0
178.06305	8.6
179.04630	12.8
193.08749	6.3
198.09001	0.9
210.08855	13.0
242.07756	1.1
254.07784	10.7
272.08926	15.9
272.85995	0.9
288.06686	6.1
301.14575	10.5
302.14835	7.9
306.07693	100.0
391.44550	1.0
418.14172	1.0
472.15869	1.1
545.22406	1.3
604.31750	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	607.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.6
58.00591	0.4
58.18997	0.2
58.47678	0.2
59.01384	25.0
63.36857	0.2
63.80396	0.2
71.01383	10.3
72.99299	0.4
73.02918	0.3
83.01385	0.3
85.02953	13.9
87.00889	0.7
87.36896	0.2
89.02444	16.5
90.02766	0.2
95.01378	1.2
99.04523	0.3
101.02438	8.3
103.04012	24.7
113.02456	5.3
117.05569	0.5
119.03496	6.8
128.34052	0.2
131.03540	0.3
143.03473	0.4
145.05075	0.9
160.44469	0.2
161.04482	0.3
162.04779	0.2
169.15553	0.2
179.05620	0.5
265.09305	100.0
266.09625	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	607.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02985	38.1
59.01370	0.7
66.22947	0.3
70.02958	0.3
79.90395	0.3
79.92866	0.3
80.62407	0.3
89.04630	0.3
89.99759	0.4
102.61148	0.3
109.43642	0.3
131.83769	0.3
168.13940	37.0
171.04491	0.4
186.06879	0.4
189.03279	0.3
199.03999	1.8
212.04904	0.6
212.12952	0.7
213.05612	0.5
214.06442	0.4
226.05038	0.4
227.03621	4.2
227.07169	1.8
239.03577	0.4
240.04292	0.7
241.05049	2.0
242.05882	14.9
243.06435	0.6
255.06712	11.6
256.07391	1.2
257.08234	13.1
258.07892	0.5
270.07614	4.0
302.08020	0.6
312.08975	0.4
337.14371	1.6
351.24863	0.3
380.18918	0.6
384.24133	0.4
408.18106	2.6
411.20670	0.4
421.22263	0.3
423.20581	6.3
426.23056	3.3
438.22894	31.7
439.22647	2.4
501.35687	0.4
592.35712	0.5
607.37640	100.0
608.38031	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	609.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58564	0.7
57.03460	11.8
58.85434	0.7
59.01373	3.6
71.01362	1.0
78.95861	1.4
81.03439	1.7
83.01372	3.6
93.03449	3.8
95.01353	1.4
95.05022	1.1
96.96004	4.3
97.02937	4.2
107.05000	3.1
109.02953	16.3
111.04501	5.1
121.02941	8.1
123.00869	4.8
123.04537	0.9
124.01680	1.4
125.02438	100.0
133.02919	1.2
135.87984	0.8
137.02440	30.5
139.04015	14.8
147.04535	1.3
149.02446	10.0
149.06073	1.1
151.04015	7.5
159.04491	1.4
161.02486	2.0
163.00334	1.9
163.03964	3.7
164.01198	4.7
164.07146	2.0
165.01932	14.2
166.02693	0.9
167.03487	17.0
175.04022	12.0
175.05449	1.0
175.06046	0.8
177.01936	70.9
177.05510	3.2
178.02536	1.2
179.03517	9.1
187.03999	5.7
189.05557	1.4
191.03438	1.4
193.04811	1.1
199.04054	1.9
201.05595	1.2
203.03535	3.6
205.05077	1.2
211.04010	2.1
213.05539	1.4
215.03537	5.0
217.05046	1.9
219.06599	7.8
221.04550	3.2
227.03497	1.8
228.04332	1.1
229.05115	5.5
231.90689	0.9
241.05299	0.8
243.03000	9.2
255.03023	25.0
256.03751	7.0
257.04648	4.1
261.03952	1.4
269.04639	1.4
273.04044	4.9
282.01822	1.8
283.02487	14.8
285.04077	5.5
297.04160	6.1
303.05188	7.8
305.06693	48.6
315.05045	1.6
355.07965	1.3
397.09235	1.7
423.07294	74.8
424.07928	1.2
441.08395	17.6
483.09265	3.6
483.34674	1.0
609.12366	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	609.1468
Annotation	Rutine
Peak:m/z	Relative Intensity
59.01377	0.3
61.98838	0.2
63.02391	0.3
65.00321	1.4
66.28515	0.2
72.78683	0.2
83.01383	1.4
91.01866	0.4
92.12371	0.5
93.85032	0.2
100.72239	0.2
104.46973	0.2
107.01389	3.4
108.02165	2.3
109.02935	1.7
120.02152	0.2
121.02951	2.3
124.01646	0.4
135.00870	1.2
148.01685	2.1
149.02495	0.5
151.00369	15.0
152.01006	0.5
153.01935	0.3
159.04434	0.4
163.00357	2.7
163.04071	0.2
164.01125	0.6
169.01364	0.6
173.37000	0.2
178.99857	6.1
183.04475	0.5
187.03984	0.5
190.99843	0.3
192.00584	0.5
199.03944	1.2
203.03581	0.5
211.04025	1.6
215.03445	1.2
216.04289	0.6
226.02727	1.2
227.03465	3.6
229.01523	0.3
229.05038	0.4
242.02328	0.3
243.02982	13.4
244.03461	0.4
245.04527	1.2
254.02257	2.4
255.02997	33.2
256.03561	0.6
266.02289	0.3
271.02481	69.3
272.03140	3.0
273.03958	1.6
283.02432	1.5
298.98920	0.3
299.01852	1.8
300.02759	100.0
301.03528	29.2
302.03973	0.5
346.81647	0.3
350.35196	0.3
506.57034	0.3
609.14716	71.3
610.14880	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.22
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36412	0.3
51.72713	0.2
53.87161	0.2
57.03473	1.9
58.45301	0.3
58.79999	0.2
59.01396	100.0
60.01724	0.3
61.98849	3.9
71.01402	1.4
75.00883	0.4
76.08675	0.3
85.02992	0.6
87.00897	1.6
87.04540	0.3
88.98806	0.4
89.02454	0.7
96.96028	1.6
99.04530	0.5
101.02460	0.6
107.09603	0.3
113.95667	0.3
119.59148	0.3
123.04523	0.6
125.02499	1.4
128.24979	0.3
140.57831	0.3
161.04596	0.3
187.07634	3.6
213.14845	0.3
215.07101	0.4
240.07967	0.3
268.07452	1.1
279.06915	0.4
283.09964	1.4
284.07031	0.5
296.07086	0.4
299.09296	0.4
300.02975	0.5
303.12381	7.6
303.15482	0.3
308.07053	0.7
309.07944	1.2
311.09265	0.3
312.06555	1.8
322.08563	1.0
323.09393	1.8
324.06735	0.7
324.10214	1.1
327.08804	3.8
339.08777	6.9
339.12521	1.1
342.11118	5.5
353.10367	0.3
354.11200	2.7
357.13480	14.5
358.99045	0.3
369.13464	13.9
370.13513	0.4
434.21512	0.3
609.14600	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81786	0.2
53.34212	0.2
66.24581	0.3
66.67525	0.3
73.02947	0.5
73.81380	0.2
75.58365	0.3
99.92575	8.8
116.92846	100.0
116.97231	6.7
117.01946	1.3
117.92861	1.9
118.36292	0.3
146.92938	0.3
155.19257	0.3
221.90405	0.4
260.13541	0.3
290.74234	0.3
368.65353	0.4
569.25677	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82380	0.2
55.96758	0.2
70.30406	0.2
119.50546	0.2
165.53256	0.2
171.61893	0.2
172.90810	0.2
201.07816	0.3
253.21767	0.9
279.23300	100.0
280.23569	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	611.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03226	0.7
57.03456	10.9
59.01145	0.8
59.01389	11.9
60.06262	0.7
61.98831	1.8
63.02367	1.0
65.00311	4.7
69.03450	0.8
71.01389	6.8
73.02943	1.1
81.03383	0.7
83.01391	7.8
85.02959	1.4
89.02460	7.2
92.66294	0.8
93.03443	5.2
95.01350	3.2
96.96039	5.9
97.02943	1.0
99.00854	1.3
100.28479	0.7
101.02428	4.2
107.01363	5.9
109.02958	3.3
110.54256	0.7
113.02433	1.9
115.33755	0.9
118.40553	0.8
121.02950	7.5
122.03672	1.0
123.00903	3.1
124.01633	7.4
125.02437	78.4
135.43979	0.9
136.01625	5.1
137.02444	7.6
148.01683	1.2
149.02449	7.3
150.03255	1.2
151.00372	34.1
151.04005	5.6
152.01151	26.4
153.01920	14.9
161.04465	1.1
163.00357	3.3
165.01926	35.9
165.05563	1.3
166.02679	0.9
167.03471	3.5
169.01469	1.5
176.01178	1.0
178.99820	13.9
192.04346	0.8
207.06673	0.8
209.04591	3.5
211.03943	1.6
212.04868	1.2
214.06300	1.6
225.07797	1.3
225.11365	1.4
227.03471	3.6
228.04414	1.1
230.05872	3.5
231.06602	1.5
239.03575	0.8
240.04300	1.4
245.08044	0.9
255.02975	1.4
255.06779	1.7
256.03854	11.9
258.05438	1.8
271.06113	1.3
273.07663	4.2
274.04779	6.9
283.02472	1.6
284.03268	42.2
289.07220	68.8
299.05646	100.0
300.06387	0.9
317.06760	15.3
350.62692	1.1
551.19250	0.9
551.26544	5.9
583.16644	1.5
587.57507	1.0
593.15497	7.6
611.16278	99.6
612.16699	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	611.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01158	0.5
61.98829	1.1
63.02381	1.1
78.95889	1.4
86.09849	0.6
102.88358	0.7
108.02226	0.9
121.02951	1.0
122.02914	1.2
122.03734	18.0
125.02430	0.8
135.00836	1.1
136.01573	0.7
137.02444	1.4
137.06073	19.0
149.02469	2.9
151.04041	1.2
161.02464	0.7
162.03235	1.3
163.03993	4.4
163.07684	4.5
177.01979	0.9
178.99850	7.8
179.03380	1.1
180.00638	3.6
191.03543	1.0
191.07138	14.8
192.07834	0.6
193.05061	6.8
195.06598	3.2
207.06615	19.0
208.07150	0.8
220.07385	0.9
221.08089	0.7
235.06128	33.0
236.06882	16.1
237.07692	1.2
250.08470	1.3
251.09207	7.2
351.08713	0.7
358.06915	3.4
370.14246	1.2
391.42020	0.8
414.13260	68.8
429.15564	100.0
430.15921	4.6
449.14197	0.8
471.31021	1.1
515.30371	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	611.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
89.37405	2.9
93.03459	3.1
97.02924	4.0
110.00041	3.7
121.18046	3.1
123.00854	5.0
125.02456	5.5
125.99568	4.9
137.02437	45.6
137.99565	5.6
139.00363	3.2
139.03990	3.4
149.02428	17.1
151.00333	12.4
153.01935	100.0
153.99060	4.3
155.03470	7.1
163.03918	4.6
166.02719	36.7
167.03439	5.1
168.04265	64.2
177.01958	81.3
178.02686	27.4
178.61687	3.3
179.47572	3.8
181.05028	35.3
191.07202	4.1
192.04297	93.3
193.05063	5.9
207.06628	86.2
221.96812	3.2
253.04553	3.3
373.12985	5.8
388.15204	13.3
403.17657	23.8
463.15887	3.6
611.25024	74.4
619.40778	3.4
631.70587	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	611.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
72.00909	7.4
74.02469	12.3
90.06411	0.1
92.11835	0.1
92.12309	0.2
98.30611	0.1
102.40158	0.1
116.05058	34.8
117.05424	0.2
129.05858	0.1
130.06616	0.7
132.08183	0.2
134.68805	0.1
142.06618	10.1
157.07669	0.6
159.07945	0.3
159.09274	7.8
186.05594	1.6
203.08282	100.0
204.08572	1.8
269.07263	0.1
323.27890	0.1
435.05042	0.2
459.03958	0.2
629.27399	0.2
634.74530	0.1
638.95056	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16214	0.2
52.10536	0.2
53.53025	0.2
53.59212	0.2
55.01887	0.6
55.32315	0.3
57.03462	1.5
57.61506	0.2
58.00615	1.8
59.01395	47.6
61.98827	2.3
71.01388	47.0
72.99323	2.2
73.02950	2.9
74.17243	0.2
75.00850	0.3
83.01395	1.6
85.02955	7.4
86.50216	0.2
87.00868	2.5
89.02444	51.2
95.01384	1.8
96.96014	3.2
97.02932	0.5
99.00876	1.1
101.02441	12.0
108.41155	0.3
111.00833	0.8
113.02443	11.9
116.19271	0.3
119.03496	4.1
125.02428	0.4
128.03595	0.3
129.01912	1.2
130.86884	0.3
131.03499	1.6
143.03503	1.5
149.04559	1.1
159.03036	0.4
161.04521	2.4
169.28691	0.3
176.01102	0.3
179.05623	1.8
227.16515	0.4
371.20828	0.6
389.22003	2.6
440.45493	0.3
551.27148	100.0
552.27454	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	611.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85125	72.5
153.08177	80.5
161.38933	85.9
217.96846	80.6
246.37427	89.5
289.89432	88.0
298.49136	88.0
315.51013	88.9
323.82004	100.0
354.51642	86.1
404.91425	91.2
405.37598	97.9
542.45831	90.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08629	0.6
55.01887	0.7
57.03447	1.2
58.00597	1.0
59.01389	42.1
69.03487	0.7
71.01391	61.4
72.00902	2.7
72.01730	0.6
72.99318	0.9
73.02959	3.7
74.02478	4.3
77.02538	0.4
81.03480	0.6
83.01379	2.5
85.02477	0.6
85.02966	18.9
87.00893	4.6
87.01312	0.6
89.02452	54.7
95.01387	4.5
96.95998	1.0
97.02925	2.2
99.00884	6.6
101.02443	12.6
113.02454	33.8
116.05063	12.1
117.05382	2.8
119.03525	1.2
125.02411	0.7
129.01917	0.6
131.03503	3.1
137.14549	0.6
140.47437	0.6
142.06650	3.6
143.03473	4.0
143.06975	0.7
149.04582	0.8
159.09274	2.5
161.04559	12.7
173.08086	0.5
179.05595	6.7
203.08298	28.4
204.08598	10.6
235.46957	0.5
246.09845	0.7
323.09863	0.7
408.15149	100.0
409.15466	2.1
439.75143	0.6
530.42944	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80910	0.2
73.02943	0.8
78.95910	0.3
99.00916	0.2
99.92592	5.7
110.18658	0.2
114.40707	0.2
114.93412	0.3
116.07192	0.2
116.92863	100.0
116.97236	5.8
117.01920	1.5
117.92874	1.9
137.64865	0.2
152.99588	0.3
191.34309	0.2
209.85350	0.2
219.02512	0.2
255.23354	0.8
633.53809	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63338	0.5
57.03455	13.2
59.01373	0.8
62.32017	0.6
68.79372	0.5
69.03473	0.4
71.01353	0.8
78.95901	3.3
81.03482	0.7
83.01382	4.7
85.02985	0.6
85.09734	0.5
90.17068	0.5
93.03439	1.2
95.05031	2.5
96.96002	29.5
96.96971	3.6
97.02956	5.5
101.02447	0.7
107.04996	1.1
108.02218	0.7
109.02952	25.4
117.03536	0.7
121.02939	5.7
122.03740	1.2
123.04516	18.1
125.02435	100.0
125.06051	1.8
133.02946	4.7
135.04529	2.6
137.02449	23.5
138.03267	0.7
139.03978	4.9
145.02963	1.1
146.03745	1.0
147.04561	0.6
149.02458	8.8
149.06004	0.6
150.03294	2.0
150.72600	0.6
151.04002	16.8
159.04549	3.6
160.05374	0.9
161.02452	29.9
161.06070	6.8
162.03206	3.7
163.00397	3.3
163.04054	4.0
164.01117	7.0
165.01938	6.7
165.05466	0.9
167.03519	1.0
173.06058	1.2
174.03281	0.8
175.03999	12.8
175.07677	1.3
177.01942	7.5
177.05663	0.9
179.03510	5.9
183.04575	0.6
185.06093	2.0
187.04010	8.3
188.04776	4.2
189.05577	0.9
190.02562	0.6
193.05096	0.8
199.04077	1.3
199.07698	0.8
201.05643	1.2
202.06374	2.4
203.03510	2.2
203.07150	13.3
205.01413	2.3
205.05070	10.1
211.04039	1.2
212.04994	0.7
213.05548	2.9
214.02673	1.0
215.03503	2.9
217.05078	2.3
219.03065	0.8
221.08177	3.4
225.05611	1.1
227.03476	2.7
227.07076	2.3
228.04500	0.9
229.05103	4.7
231.03001	0.9
243.02977	4.1
243.06667	0.6
245.04666	3.9
245.08199	18.6
247.06114	1.0
253.05074	0.7
255.03008	11.4
255.06558	0.9
256.03714	6.3
257.04453	2.8
269.04529	1.4
271.06177	1.0
272.68661	0.6
273.04050	3.6
281.04559	4.5
283.02551	1.3
285.04095	5.0
285.06989	0.9
287.05685	7.4
288.02881	0.8
289.07205	53.7
290.07361	0.8
299.05530	4.7
309.04736	0.7
329.06686	1.1
339.08585	3.9
363.08606	0.7
381.09863	1.0
407.07773	49.4
408.08179	0.9
425.08862	34.3
451.10416	13.5
559.11664	0.7
575.12164	0.7
577.13629	24.3
606.10553	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95287	0.6
59.01393	79.9
61.98816	0.6
71.01383	2.6
72.99294	0.8
74.77715	0.6
89.02438	1.2
90.32488	0.7
96.95980	1.3
102.31104	0.6
109.02936	0.7
118.94279	0.7
120.99644	1.1
121.02962	6.0
123.04679	0.6
125.02393	0.8
126.42665	0.6
140.75101	0.7
145.02994	1.0
146.03658	0.7
149.02457	1.0
161.02437	0.6
163.04039	1.0
164.04797	0.7
165.01904	3.4
170.49178	0.8
174.08772	0.6
192.19511	0.8
197.11111	0.7
203.08723	0.7
207.06641	1.5
211.07727	1.0
212.04790	0.9
224.04756	0.8
237.05563	2.7
239.03519	1.2
239.07191	5.5
240.04285	37.2
248.04823	0.8
249.05624	2.8
250.06371	1.1
251.07167	0.9
252.04544	0.9
253.04991	0.9
254.05844	1.0
255.06659	11.3
265.05045	5.5
266.05875	3.0
267.06622	21.1
269.08139	4.6
270.05667	0.8
270.08926	6.4
277.05023	2.6
278.05875	1.1
279.06583	4.1
280.07434	2.9
282.08951	2.5
283.06155	21.3
285.07669	0.9
293.08127	1.2
294.08972	3.3
295.06140	61.5
295.09473	2.9
296.06293	1.0
297.07721	1.1
298.08481	48.5
299.08722	1.0
309.07635	5.3
310.08490	57.5
311.09167	1.4
313.10858	86.9
314.11136	2.5
325.07391	3.8
325.10843	53.0
326.11191	1.1
340.09451	3.3
343.11899	7.5
344.61569	0.7
361.12967	88.6
362.13303	3.3
373.12961	100.0
374.13104	4.6
391.14014	9.3
528.46118	0.8
553.11041	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34503	0.9
58.00600	1.6
59.01384	95.5
61.98833	49.4
71.01380	55.6
71.01714	1.5
72.99318	2.7
73.02947	2.9
74.02465	1.4
75.00867	28.8
77.63552	1.3
83.01394	2.9
85.02956	13.9
85.05798	1.1
87.00894	1.7
87.66367	1.2
87.85854	1.1
88.73113	1.2
88.98828	1.3
89.02437	76.9
95.01396	2.6
95.31661	1.3
96.96021	3.1
99.01985	1.3
101.02436	29.2
106.54758	1.2
108.02144	5.5
111.00882	1.5
112.59183	1.2
113.02438	24.0
116.92847	1.8
119.03483	28.4
123.04496	7.0
124.91021	1.4
125.02428	1.8
128.03568	1.4
131.03532	4.1
132.22130	1.2
135.04532	2.5
136.01662	1.3
137.02437	2.7
143.03558	2.3
145.02937	1.7
149.02438	3.0
149.04578	2.8
150.03230	1.7
161.04539	9.3
162.03220	1.9
163.04001	11.0
164.04802	7.8
165.05565	5.1
176.04738	1.7
179.05638	30.7
179.07066	4.1
191.03548	2.6
192.04276	2.8
193.05078	3.1
195.06589	1.5
204.04222	2.0
207.06604	17.4
210.05254	1.5
211.07727	1.3
216.52661	1.3
216.95253	1.2
219.06609	6.1
223.07712	1.4
224.04831	2.7
225.05476	2.4
237.05629	1.4
239.07109	12.4
240.04291	37.0
240.06569	2.5
241.04984	1.2
249.05643	3.2
250.06427	1.7
251.07156	2.4
255.06615	6.8
265.05121	5.9
266.05875	5.7
267.06625	30.9
268.07043	1.6
269.04666	1.4
269.08105	2.9
270.09012	2.4
277.05093	5.5
278.05853	2.9
279.06555	8.9
280.07327	1.5
281.08243	2.8
282.08807	4.4
283.06122	16.4
294.05725	1.4
294.09103	2.2
295.06137	100.0
296.06503	1.7
297.07599	1.6
298.08481	32.7
299.09158	9.2
309.07864	8.9
310.08481	73.5
311.08554	1.7
313.10855	45.2
314.11230	1.5
324.31564	1.5
325.07187	4.9
325.10794	53.7
326.11139	1.7
340.09515	5.2
343.11896	56.4
344.12262	1.8
355.11978	6.4
373.12958	37.8
412.01447	1.4
419.19968	1.4
461.54318	1.6
500.57913	1.5
505.17163	7.0
523.18219	2.0
535.18433	6.8
553.21222	1.6
553.28442	11.8
591.29620	1.5
613.32593	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	613.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
63.57338	0.2
64.81656	0.2
65.04378	0.2
67.01870	0.2
67.21882	0.2
74.92321	0.2
75.69268	0.2
84.23891	0.2
123.00870	0.2
123.04524	6.5
124.01664	0.2
135.04576	0.2
137.02417	0.8
139.00362	0.9
151.00392	1.8
151.04010	18.6
152.01155	1.3
164.01135	0.3
165.05524	1.8
166.02715	5.8
167.03438	0.5
176.04901	0.2
179.03506	100.0
180.03896	1.6
181.05069	4.0
189.08397	0.2
190.06412	1.7
191.07158	1.1
193.05116	0.9
194.05852	60.7
195.06245	1.2
202.59248	0.2
205.08711	0.8
207.88989	0.2
209.08214	47.3
210.08493	0.9
373.13071	1.5
388.15274	1.1
403.17661	8.4
438.41470	0.2
613.26953	0.4
631.51978	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.7
59.52860	0.3
70.46403	0.3
71.01377	0.6
78.95901	5.7
82.02999	4.0
82.06628	0.3
84.04540	2.0
88.04044	4.9
96.96029	0.5
96.96963	11.4
100.04046	2.4
100.59906	0.4
101.07200	2.3
109.06628	0.4
110.02475	0.6
112.04082	1.5
127.05128	3.3
128.03529	7.4
129.10294	0.3
130.08736	100.0
131.09074	1.3
134.30461	0.3
141.10373	4.0
154.12413	2.0
157.13445	0.6
167.11900	0.7
169.09833	1.9
169.13474	1.3
171.15033	9.0
180.10301	3.0
197.12973	26.5
207.17978	0.4
215.14064	2.1
217.15904	0.4
241.11961	37.2
242.12204	0.7
258.14590	5.2
259.02365	3.9
259.13016	77.7
260.13400	1.6
265.04681	0.4
638.58838	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.5421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94749	0.2
70.27392	0.1
177.38438	0.2
219.80394	0.2
255.23331	100.0
256.23611	1.6
274.29102	0.2
381.02817	0.2
402.54193	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88681	0.2
59.01386	3.0
60.01712	0.3
61.98834	100.0
64.33379	0.2
65.49473	0.2
71.01382	2.1
72.99323	0.2
73.27969	0.2
75.00860	2.0
76.03807	0.2
79.12192	0.2
79.59065	0.2
85.02958	0.5
89.02440	1.9
96.96008	0.8
101.02448	0.4
113.02483	1.0
121.02979	0.3
128.03519	0.2
150.03241	0.4
152.00073	0.2
165.05586	0.3
195.06708	0.9
393.57504	0.2
511.11728	0.2
536.32336	0.3
551.26947	0.3
553.28125	1.1
554.27551	1.6
614.25824	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15709	0.3
57.08497	0.3
59.01373	0.4
71.09712	0.3
76.66467	0.4
78.95896	49.0
89.02430	0.4
89.48791	0.3
96.96952	7.1
116.92892	0.4
132.04601	0.4
150.98004	2.2
152.99585	100.0
157.78520	0.4
166.52274	0.4
171.00668	3.6
172.87532	0.3
200.67477	0.4
255.23164	0.5
269.24747	0.7
281.24857	1.6
341.10992	0.5
374.34714	0.4
435.25180	28.2
562.95734	0.4
615.32141	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62986	0.2
56.10674	0.2
59.01388	0.3
71.01385	0.6
73.02926	1.0
85.02940	0.3
89.02432	1.2
101.02441	3.7
110.55019	0.2
113.02438	0.5
115.92138	0.3
116.92864	0.3
130.97485	0.3
131.03537	0.3
153.09200	0.4
160.84212	0.4
161.04524	0.9
162.83978	0.3
207.63052	0.2
368.03836	0.3
453.33804	100.0
454.34045	3.8
455.34479	0.4
472.32285	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07134	0.7
52.60345	0.7
53.66236	0.7
57.13737	0.7
58.02992	9.2
59.01380	1.7
61.03329	0.8
61.98843	8.9
64.74235	0.9
71.01386	1.0
72.00918	1.5
72.37983	0.8
74.02481	18.3
75.11986	0.8
82.03003	1.6
85.04089	0.9
86.02473	8.1
86.99107	1.1
87.05650	6.3
89.02478	0.9
90.00183	1.1
96.96022	5.0
98.05995	1.0
99.05645	18.9
101.07189	1.7
102.05654	1.4
109.04062	1.9
109.07679	0.9
112.04033	2.1
123.05672	1.2
127.05105	3.4
128.03529	42.8
131.04599	1.0
135.05630	4.6
137.07191	1.6
141.06715	4.9
143.04636	61.0
145.06270	1.3
146.04590	5.5
150.03206	1.2
153.06715	4.4
155.08348	1.3
160.00732	16.2
163.44775	1.0
165.05611	1.7
166.09845	2.3
167.04665	6.7
167.08264	1.5
177.03392	5.8
179.04617	11.3
181.06261	1.2
184.10773	1.0
185.05640	2.0
195.06705	1.3
210.08881	12.9
223.82692	0.9
254.07774	8.7
272.08908	16.9
288.06531	7.5
306.07690	100.0
451.63431	1.0
459.14545	0.9
529.12781	1.1
538.60016	1.0
581.19971	1.2
616.28516	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	617.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15064	0.3
59.01387	2.5
60.32560	0.3
61.98823	2.6
62.40666	0.4
63.29210	0.4
71.01388	0.7
82.95420	2.4
89.02440	0.5
92.11662	0.7
93.03445	2.6
96.95982	1.7
101.02404	0.4
121.02960	4.5
122.03739	12.5
123.04528	0.5
128.03528	0.6
133.02956	0.7
135.04596	0.5
136.01682	0.9
137.02473	0.7
145.03012	0.5
149.02451	19.5
150.03236	100.0
151.03928	0.5
158.89064	0.4
161.02475	0.9
163.04053	1.5
164.04768	4.1
165.01907	1.5
165.05574	84.0
173.20998	0.4
180.04312	7.8
186.73190	0.4
195.06648	37.2
206.05920	0.4
207.06630	0.7
225.05682	0.6
226.06331	0.6
241.05042	0.5
253.05148	0.6
254.05829	2.9
255.03058	1.6
263.03552	0.4
265.05005	0.6
266.05743	0.8
267.06821	0.7
269.04498	0.8
269.08154	2.2
270.05502	3.3
281.04587	0.9
282.05490	0.9
284.06870	0.5
285.07764	1.9
293.04550	0.8
294.05429	2.8
294.89993	0.4
295.06122	2.2
297.04013	0.4
297.07761	0.7
298.04770	2.6
298.08130	0.5
300.09814	0.7
308.06931	1.9
309.07660	5.0
310.04803	2.5
310.08475	1.7
313.07300	9.3
313.10861	0.6
321.59283	0.4
324.06339	0.5
324.10001	0.9
325.07233	11.7
327.08691	0.6
328.09546	12.6
339.08661	0.7
340.06216	0.5
340.09607	8.9
341.33051	0.4
343.11923	14.2
355.08313	0.8
355.11938	10.7
373.13040	1.0
391.14053	16.6
392.85736	0.4
403.14056	19.5
408.07846	0.4
420.30951	0.5
421.14459	0.5
476.14737	1.6
491.17139	4.1
539.19214	2.5
569.20514	4.2
617.22351	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	617.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71770	0.3
56.00600	0.3
57.85649	0.4
59.01374	2.4
61.28157	0.4
61.98845	12.5
71.01382	1.1
73.39353	0.4
82.95423	0.9
88.98802	0.5
89.02464	0.6
91.32185	0.4
92.11744	1.0
93.03449	3.1
96.96005	2.6
97.62856	0.5
101.02467	0.7
104.28016	0.4
113.02514	0.5
121.02939	4.4
122.03732	13.5
123.04543	0.8
124.01667	0.5
128.23219	0.4
132.02142	0.9
133.02972	1.8
134.03764	0.9
135.04527	0.7
136.01657	0.9
137.02484	1.0
147.04501	2.2
149.02449	25.4
149.06110	0.6
150.03229	100.0
151.03989	0.5
160.01646	0.7
161.02467	2.1
162.03218	0.6
163.04008	2.4
164.04790	5.9
165.05571	79.2
175.04063	0.7
175.25700	0.5
176.01183	4.0
177.05542	0.5
180.04285	6.9
191.03535	4.6
192.04262	0.5
193.05037	0.6
195.06630	26.5
207.06563	0.8
210.05287	0.6
221.04375	0.5
225.05457	0.7
226.06364	0.8
227.74474	0.5
235.04312	0.5
237.05490	0.6
238.06320	0.8
240.04234	0.7
241.05032	2.8
241.08612	0.6
242.05937	0.8
249.05501	0.4
252.04065	0.6
253.05077	1.9
253.08873	0.6
254.05815	2.3
255.03058	1.5
255.06551	0.6
262.55655	0.5
263.03275	0.6
265.05078	0.9
267.06595	1.9
268.07404	0.6
269.04654	3.5
269.07962	3.3
270.05316	5.1
281.04599	2.4
282.05322	3.6
282.08661	0.4
283.06683	0.6
283.09793	3.0
284.06931	0.7
285.07712	2.6
293.04602	0.7
294.05377	3.4
295.06235	2.7
296.06982	0.8
297.07620	1.8
298.04907	3.2
299.09256	0.8
300.10019	0.8
308.06946	2.1
309.07669	6.2
310.04913	4.2
310.08572	2.4
311.09323	3.7
312.06485	0.9
312.09872	1.0
313.07208	13.1
314.08069	0.5
321.11255	0.5
323.09442	1.1
324.10199	1.7
325.07187	16.7
325.10846	1.1
327.08691	4.0
328.09546	17.0
329.10367	1.0
329.13931	0.5
340.09543	8.7
341.10095	0.7
342.11139	1.8
343.07883	1.0
343.11899	17.1
355.07983	0.8
355.11935	12.3
373.12952	1.8
380.08832	0.7
391.14029	19.3
395.11212	3.0
403.14026	27.1
413.12256	0.9
425.70496	0.5
447.14716	0.8
448.15210	0.8
461.12622	2.7
476.14853	17.8
491.17197	37.6
521.18207	2.5
529.13751	0.5
529.32672	0.5
539.19348	8.7
551.19495	1.8
569.20355	14.0
599.21649	0.9
617.22443	9.9
617.30518	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82806	5.0
58.02976	6.1
59.01388	8.4
61.04239	4.2
61.89003	4.5
61.98826	22.0
64.38585	4.5
71.01371	9.9
73.02938	4.9
74.02460	22.2
74.45861	4.2
85.02954	7.0
85.51194	5.0
87.56411	4.6
96.95985	7.4
99.05650	20.6
101.02412	6.3
127.05193	5.3
128.03551	62.6
129.03957	7.0
129.23381	4.6
137.47375	5.3
143.04619	98.8
144.05022	10.2
149.02396	7.3
150.03239	21.4
160.00731	9.6
164.02058	6.4
164.04802	5.8
165.05551	7.4
173.95209	5.6
177.03534	7.1
179.04646	9.4
195.06529	8.7
221.89963	4.8
254.07730	8.4
272.08884	13.1
273.18631	11.0
306.07724	100.0
307.07990	47.0
581.29694	56.9
617.27161	97.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87845	1.3
57.03439	1.6
59.01390	18.6
61.98831	10.3
69.03433	1.8
71.01384	15.5
73.02932	2.8
80.43729	1.7
83.01385	2.4
85.02948	5.7
87.18613	1.5
89.02445	2.4
96.96053	1.8
97.02943	1.9
97.59985	1.4
98.34596	1.6
99.00861	2.0
101.02402	13.1
113.02467	8.3
125.02446	2.6
136.83882	1.4
201.12651	1.8
204.74173	1.3
219.13869	1.4
227.16501	12.6
247.13199	85.0
249.14713	57.5
261.14648	2.8
291.15936	14.1
293.13562	14.9
389.21860	12.3
411.19965	15.3
535.27698	68.3
542.56635	1.5
557.25800	100.0
565.47864	1.7
601.24896	5.5
617.26440	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	617.3854
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
50.94890	0.1
55.62365	0.1
55.93433	0.1
60.60040	0.1
68.53604	0.1
70.50025	0.1
74.47727	0.1
78.95878	0.4
116.92850	0.5
117.03462	24.0
119.05019	14.0
120.15723	0.1
121.02949	2.2
123.04501	0.5
130.41896	0.1
133.02969	0.3
145.02957	100.0
146.03307	1.3
147.04581	0.4
149.81546	0.1
152.99600	0.7
162.03246	1.2
163.04004	1.0
188.92772	0.1
261.56122	0.1
375.30933	0.1
387.62381	0.1
453.33890	0.6
463.28516	0.2
497.32645	1.0
573.39233	0.8
617.38556	69.2
618.28931	0.2
618.38867	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	617.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58317	0.2
61.98835	1.4
92.11813	0.2
115.19006	0.2
116.92861	0.4
117.03471	25.6
117.92902	0.2
119.05024	6.7
121.02968	2.1
123.04562	0.7
133.02992	0.2
145.02965	100.0
146.03339	1.2
162.03264	0.2
163.04001	1.6
195.00220	0.2
211.80064	0.2
219.86978	0.2
244.99448	0.2
404.89508	0.2
453.33755	0.4
463.28595	0.3
497.33365	0.6
533.83075	0.2
573.39801	0.4
617.38556	82.2
618.38770	4.0
647.96619	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86666	0.5
61.98833	0.7
63.36336	0.5
75.58491	0.5
87.77026	0.6
91.52017	0.5
112.43098	0.5
115.92038	0.6
117.03451	24.2
117.04285	0.9
119.05018	15.6
121.02921	1.1
145.02950	100.0
163.04025	0.7
182.36253	0.6
205.29956	0.7
276.02753	0.5
288.35495	0.6
418.08377	0.5
617.38580	79.8
618.38550	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16606	0.8
53.36381	0.8
58.02978	9.9
59.01386	2.0
60.51257	0.9
61.18652	1.0
61.98828	4.5
70.02987	2.0
72.00888	1.0
73.02904	1.2
74.02472	19.7
81.04559	1.1
82.02995	1.5
83.05060	1.0
86.02469	8.7
86.06121	1.1
86.99113	2.3
87.05633	6.4
87.65571	0.9
90.00168	1.6
96.96004	1.2
97.04098	2.0
98.02551	0.9
99.05640	18.3
101.07212	2.1
102.05592	3.8
107.96223	1.1
109.04107	1.1
109.07709	1.0
111.05636	1.7
112.04059	2.3
116.01788	1.3
123.05638	1.3
125.03606	1.3
127.05137	2.1
128.03537	50.2
131.04652	1.1
135.05644	5.6
137.07198	1.3
141.06731	6.0
143.03513	2.4
143.04628	68.6
145.06148	1.5
146.04614	8.5
153.06657	6.7
160.00735	16.1
166.09857	1.9
167.04636	4.9
167.08214	2.2
171.04041	1.1
177.03410	4.7
179.04636	12.3
181.06172	2.0
185.05714	1.5
192.07784	1.6
197.05624	1.5
210.08849	11.1
226.35002	1.1
249.14708	5.0
254.07828	10.1
272.08908	19.6
288.06549	7.0
306.07690	100.0
307.07922	1.3
417.21082	1.1
458.84628	1.0
499.31494	1.0
502.20197	1.0
559.27228	1.2
618.21301	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	618.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07973	0.3
57.45687	0.4
58.02985	7.1
59.01383	2.2
61.98842	7.2
66.03471	0.6
69.44096	0.5
70.02973	0.7
70.27771	0.5
71.01382	1.1
74.02470	15.2
80.03839	0.5
81.04572	1.1
82.02970	1.0
84.04510	0.7
85.02924	0.5
86.02486	5.9
86.06120	1.9
86.99107	2.2
87.05621	5.4
88.04068	0.4
90.00172	0.8
94.02976	0.5
96.00976	0.5
96.95983	0.5
97.04073	2.3
98.02455	0.6
99.05640	14.5
101.07198	2.1
102.05608	2.3
107.06107	0.5
109.04068	1.1
109.07697	0.8
111.05646	0.9
112.04057	2.5
113.03520	0.7
116.92892	0.7
123.05644	0.8
124.04056	0.9
125.03543	1.2
126.96269	0.5
127.05131	2.5
128.03532	38.8
130.18793	0.5
131.04628	0.8
135.05663	3.8
139.08649	0.6
141.06711	3.6
143.04628	55.9
145.06194	2.4
146.04602	5.1
153.06693	3.9
160.00743	14.2
166.09885	2.0
167.04633	4.9
167.08279	2.1
177.03395	4.2
179.04639	10.0
181.06155	0.9
185.05667	1.1
192.07852	0.9
197.05745	0.7
210.08841	10.4
221.97131	0.5
228.09947	0.5
242.07762	0.9
247.13199	1.0
254.07832	9.6
272.06149	1.0
272.08923	16.0
281.11899	1.8
288.06650	6.0
306.07706	100.0
307.07913	1.8
536.28113	0.6
558.26318	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	618.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82471	0.2
57.10629	0.2
59.01377	0.4
61.98836	100.0
64.34220	0.2
70.34938	0.2
78.95918	1.6
85.40353	0.2
93.66621	0.2
96.96008	6.1
96.96953	0.4
117.03436	1.9
119.05041	1.3
141.27007	0.2
145.02950	10.1
145.04044	0.4
146.03374	1.6
152.99654	1.6
155.94447	0.2
211.20306	0.3
284.14389	0.3
558.30927	0.4
617.38654	2.9
618.38849	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	618.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67896	0.8
58.02980	7.9
70.43368	0.9
74.02471	15.6
78.95876	0.9
82.02965	1.1
86.02479	6.0
86.06157	1.1
86.99113	1.3
87.05626	4.8
99.05627	17.7
101.07195	1.9
102.05562	3.6
102.84029	0.8
109.04041	2.2
111.05628	1.5
112.04055	1.6
115.36829	0.9
116.35935	1.0
124.04082	1.1
127.05143	1.9
128.03531	46.0
128.04486	1.7
135.05643	5.8
141.06697	4.1
143.04626	59.5
145.06201	1.3
146.04597	5.6
153.06691	4.5
160.00737	14.8
166.09953	1.8
167.04694	3.7
167.08223	1.7
168.76822	0.9
177.03380	2.2
179.04645	15.2
192.07828	2.0
210.08852	13.4
242.07890	0.9
248.60005	0.9
254.07863	13.3
272.08896	18.1
288.06613	7.9
306.07697	100.0
307.07886	2.0
328.24609	1.0
345.45523	1.1
346.45959	0.9
357.86221	1.0
618.30756	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	618.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.94667	0.2
61.98837	100.0
62.51213	0.2
62.78011	0.2
66.64785	0.2
78.95914	1.4
79.91585	0.2
85.29923	0.2
92.67993	0.2
93.26126	0.2
107.72826	0.2
169.79411	0.3
171.74776	0.2
185.16972	0.3
197.38655	0.2
200.39232	0.2
272.44949	0.2
284.14404	0.3
285.14789	0.3
286.14929	0.3
380.28879	0.2
386.53445	0.2
539.31335	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11652	0.2
54.92019	0.2
58.02990	8.0
59.01389	0.6
61.98832	1.2
66.03491	0.6
70.02980	1.4
71.01396	0.6
72.00905	1.5
74.02476	18.1
81.04557	0.7
82.02994	2.0
83.02473	0.3
84.04546	1.1
86.02475	6.8
86.06112	1.4
86.99110	2.2
87.05627	4.9
88.04034	0.6
90.00182	1.9
96.04533	0.3
96.35201	0.3
97.04056	2.1
98.68286	0.3
99.04987	0.6
99.05637	16.4
100.04021	0.3
101.07201	2.2
101.71800	0.3
102.05621	2.5
107.06160	0.5
109.04072	2.8
109.07742	0.3
111.05651	1.7
112.04047	2.3
113.03556	1.1
113.07204	0.4
116.01753	1.9
120.01221	0.6
123.05640	1.7
124.04049	1.2
125.03558	1.4
126.01923	0.5
127.05126	2.8
128.03529	43.3
129.03804	0.3
131.04675	1.0
135.05621	4.5
137.07191	1.3
141.06708	4.4
143.04623	63.1
145.06183	2.3
146.04614	5.5
149.07222	0.4
153.06705	4.9
155.08264	0.6
160.00737	14.9
164.08365	0.3
166.09875	2.7
167.04584	4.6
167.08243	2.5
170.03392	0.5
171.04092	0.4
171.07820	0.5
174.37671	0.3
177.03378	4.8
179.03149	0.3
179.04630	10.5
181.06128	2.3
184.10915	0.5
185.05672	2.1
192.07805	0.7
197.05713	1.6
198.08850	0.7
210.08855	11.2
228.10085	0.4
229.05582	0.3
242.07878	1.9
254.07831	9.3
259.86481	0.3
272.08893	15.1
288.06625	7.3
302.39825	0.3
306.07678	100.0
307.08176	0.6
538.15112	0.4
620.26819	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40811	0.5
58.02746	0.5
58.02987	8.0
59.01387	7.9
61.98840	4.8
66.13035	0.4
71.01395	5.0
72.00901	0.8
73.02942	2.3
74.02477	14.5
78.95894	1.9
81.04588	0.9
82.02985	2.1
82.95428	2.3
83.01444	0.6
85.02983	0.8
85.04091	0.5
86.02482	5.4
86.06116	0.5
87.00880	0.6
87.05650	3.6
88.04061	0.7
88.98793	0.7
89.02435	2.9
90.00178	0.5
96.96012	24.9
96.96986	2.2
97.04071	2.2
99.05642	16.5
101.02449	5.1
101.07191	2.5
102.05589	2.4
103.04012	1.1
107.06120	1.0
109.04066	2.8
109.07706	0.8
111.05618	0.8
111.91187	0.4
112.04060	2.5
113.03574	0.7
113.07186	0.6
123.05642	1.9
124.04037	1.1
125.03594	0.8
126.01928	0.4
127.05092	3.7
128.03540	38.0
131.03488	0.9
131.04602	0.6
135.05634	4.0
136.33171	0.4
137.07170	0.7
141.06726	5.0
143.04630	58.0
145.06224	3.0
146.04611	4.4
153.06682	3.7
155.08273	1.2
160.00751	14.3
163.06117	3.8
165.05614	0.9
166.09808	3.3
167.04611	4.3
167.08290	2.2
171.04092	0.5
171.07730	0.5
177.03391	3.7
178.72314	0.5
179.04604	10.0
181.06287	1.0
184.10916	0.6
185.05701	2.1
192.07878	1.0
197.05693	1.1
198.08864	1.0
205.07256	0.8
210.08833	12.2
242.07797	0.7
254.07887	8.9
272.08911	14.3
286.41202	0.6
288.06631	4.7
306.07700	100.0
307.07870	0.6
559.27747	0.7
560.28033	3.3
620.30951	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39065	0.1
59.01380	0.9
59.79369	0.1
61.98830	0.2
70.34426	0.1
71.01377	0.6
73.02934	0.2
78.95901	7.4
79.95726	1.9
82.95418	1.0
85.02947	0.2
89.02415	0.7
96.96004	100.0
96.96911	10.3
99.40123	0.1
101.02427	0.3
113.02477	0.2
153.09088	0.2
165.01932	1.4
165.05608	0.2
180.04265	1.2
195.06619	2.3
398.22150	0.1
418.88962	0.1
439.86340	0.1
497.70511	0.2
561.19855	0.2
561.29071	0.5
585.21735	1.0
621.20001	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	621.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20030	0.6
55.01889	8.2
57.03456	7.5
57.60417	0.6
58.00588	1.3
59.01386	40.3
61.98833	1.4
66.95110	0.6
69.03442	3.7
71.01382	57.2
72.99304	9.9
73.02942	20.7
75.00873	3.0
81.03447	1.4
83.01382	10.4
83.05013	2.8
85.02947	40.9
87.00869	15.9
87.38656	0.7
88.98786	3.6
89.02438	22.7
93.03474	0.9
95.01366	3.9
95.05021	1.3
96.95995	11.1
97.02927	4.3
97.06543	1.3
99.00878	10.4
99.04513	0.8
101.02437	31.7
107.05011	0.8
108.02141	1.5
109.02962	0.7
109.06615	0.8
111.00857	1.5
111.04510	1.1
112.01640	0.9
113.02444	32.6
115.03998	3.1
119.03455	1.7
120.20943	0.8
121.02937	1.1
123.04497	7.2
125.02428	5.9
125.06065	3.8
129.01933	2.9
131.03493	2.6
139.03969	1.0
141.05559	2.6
143.03506	5.2
149.04584	0.7
150.03241	0.9
151.03989	1.0
153.05588	0.7
159.02975	2.8
161.04533	4.8
161.13367	0.9
169.05020	1.3
175.11224	2.6
187.11255	0.7
203.14461	1.0
204.97270	0.7
205.12325	3.1
215.14505	0.8
233.06520	1.0
341.19443	0.9
367.17459	2.5
379.17694	7.3
397.18658	1.6
403.86719	0.7
455.22769	0.9
467.23029	12.1
499.21872	57.9
500.22003	1.2
511.21918	100.0
512.22278	3.7
523.27698	2.5
531.24640	10.3
543.24670	20.1
544.24683	1.1
561.28754	3.2
621.30377	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44240	1.1
59.01388	100.0
65.89031	1.0
80.71260	1.1
92.80048	1.2
107.06455	1.1
158.36804	1.1
169.74193	1.1
322.74872	1.3
500.52179	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1626
Annotation	isorhamnetin-3-rutinoside
Peak:m/z	Relative Intensity
50.07677	0.2
50.46436	0.2
52.55147	0.2
55.44736	0.3
59.01384	4.2
61.98833	0.4
63.02393	0.5
65.00338	0.5
65.92113	0.3
71.01378	2.4
73.02952	0.5
78.95881	0.5
82.95430	0.8
83.01389	0.8
84.95120	0.4
85.02916	0.3
85.58624	0.3
89.02438	3.5
90.23779	0.4
96.96004	12.4
96.96954	1.4
98.95584	6.1
98.96431	0.6
99.00849	0.7
101.02406	0.5
107.01391	1.3
108.02168	0.6
113.02430	0.4
116.92937	0.3
119.03477	0.7
119.71251	0.3
125.02434	0.6
135.00867	0.6
139.31601	0.3
143.05016	0.4
145.02974	0.5
147.75558	0.3
148.01668	0.5
151.00368	6.8
157.02951	0.4
159.04518	0.6
160.05363	0.7
163.00357	0.4
164.01157	0.5
165.01862	1.6
167.04999	0.4
169.01378	0.4
171.04529	0.6
175.07588	0.4
179.05640	0.6
180.04228	0.7
183.04509	2.1
184.05368	0.3
187.03922	0.4
195.06590	1.4
197.02512	0.5
199.04033	8.2
201.01979	0.7
203.03534	0.7
211.03996	0.6
215.03557	3.7
217.79869	0.3
226.02730	1.5
227.03546	8.4
228.04245	0.5
229.01247	0.4
242.02213	5.0
243.02988	42.0
244.03593	3.2
254.02199	1.7
255.03003	29.4
256.03644	0.8
257.04562	5.1
259.06076	1.5
270.01688	5.6
271.02496	71.5
272.03207	6.5
285.04077	8.2
286.04782	2.2
287.05576	3.0
293.08752	0.4
299.01993	62.3
300.02759	53.2
301.03116	1.3
313.03275	0.4
314.04364	48.3
315.05145	100.0
316.05429	2.6
329.14047	0.4
440.39679	0.4
563.27319	0.4
623.16248	85.8
624.16577	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	623.3081
Annotation	5-Acetoxy-11,13-epoxy-2,4-dihydroxykleinifulgin
Peak:m/z	Relative Intensity
54.27303	1.1
54.35543	1.1
55.01889	4.7
55.45134	1.0
57.03460	1.2
57.60186	1.1
59.01390	27.3
61.98847	1.1
65.10822	1.3
71.01388	30.9
73.02947	11.1
78.95910	4.9
83.01405	6.1
85.02964	14.3
89.02438	9.8
92.12362	3.7
95.01410	2.6
99.00867	4.4
101.02452	25.3
113.02447	11.5
129.72670	1.2
143.03477	1.5
146.33713	1.3
161.04544	4.8
250.07617	1.8
275.10281	1.3
299.20181	89.3
300.20642	1.9
308.97043	1.3
450.43329	1.5
461.25244	12.4
526.50183	1.4
623.30750	100.0
624.31128	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	623.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28155	0.1
59.01391	0.8
64.87661	0.1
66.03456	0.1
71.01382	0.2
76.10252	0.1
78.95917	0.1
80.05058	0.5
82.06614	0.4
84.08212	0.3
89.02440	0.5
96.96011	0.4
103.92065	0.1
112.07655	0.4
113.02436	0.1
113.06107	0.1
114.09245	0.8
119.05066	0.1
129.10338	2.9
130.08739	32.6
131.09096	0.5
141.10316	0.4
143.81645	0.1
145.96658	0.1
149.04639	0.1
172.13832	0.1
182.15535	0.4
197.16599	0.2
199.18185	20.2
200.18535	0.6
225.16228	0.2
243.17162	100.0
244.17482	3.1
299.14706	0.1
379.15991	0.3
464.51706	0.1
486.99982	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	624.201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65425	0.1
54.82421	0.2
58.17801	0.1
59.01370	0.8
62.93594	0.1
63.61932	0.2
66.00981	0.3
66.52690	0.1
69.46960	0.1
71.01373	0.3
72.99294	0.2
78.95882	0.4
82.04068	0.3
89.02435	0.9
96.96971	0.3
107.03628	2.9
108.02031	1.8
119.03542	0.2
123.04551	0.4
126.03082	4.8
128.03571	0.2
133.01553	20.4
150.04214	100.0
151.02632	0.7
151.04587	0.7
165.47624	0.2
167.75005	0.2
179.05655	0.2
248.69797	0.2
282.08453	49.5
283.08685	0.9
303.14792	0.2
341.11035	1.3
433.13498	0.2
441.93765	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10603	0.6
56.73929	0.6
58.02987	0.9
59.01387	4.0
61.98829	5.0
62.10760	0.6
69.00938	3.3
70.02972	6.5
71.01358	0.7
71.02500	1.3
72.00902	3.0
73.04079	1.3
74.02490	2.9
82.02982	4.4
82.95382	0.9
89.02457	1.2
93.03463	14.0
96.00914	68.5
98.02448	3.7
99.01967	0.8
109.01702	17.7
110.02486	51.8
111.02024	6.9
111.05672	1.5
113.03569	1.8
113.07215	15.8
114.05548	0.9
116.05068	4.8
118.06636	9.6
119.05023	32.1
121.02973	1.6
122.02467	5.4
125.03563	3.6
126.44054	0.8
127.05112	1.5
128.03540	1.7
128.59386	0.8
133.03006	1.5
133.05338	7.6
134.06107	5.7
135.05602	1.2
137.07265	0.9
139.01521	1.2
144.04521	5.4
145.06583	1.7
146.06206	1.5
152.08289	3.9
153.06712	12.9
157.82707	0.8
160.04076	5.0
161.07187	14.8
163.04012	8.8
165.06674	1.8
166.06335	0.9
170.06128	1.0
170.09363	16.2
180.06682	14.5
186.05630	5.4
187.05139	20.0
189.06926	1.2
190.08731	4.3
193.05052	1.4
197.99826	0.9
198.05540	1.9
209.10481	10.5
215.08260	1.1
215.11893	19.2
216.06679	21.8
231.07777	1.5
234.07643	1.8
240.11438	7.5
241.06190	1.4
245.12984	0.9
249.01820	0.8
254.09262	3.4
258.12463	11.2
260.05630	14.0
260.52094	0.8
272.14072	5.6
297.13589	4.1
300.02734	0.8
306.11316	1.2
309.07312	0.8
315.14709	12.1
327.14651	3.6
328.08981	3.0
345.15698	14.3
361.12433	1.0
361.17416	0.7
378.14691	1.0
448.13239	3.8
496.00705	0.8
526.23114	3.8
528.99554	0.8
532.21552	1.2
562.20050	1.1
576.21582	5.9
588.21289	1.2
606.22205	100.0
607.22485	5.9
624.23267	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	624.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.8
61.98843	100.0
63.02226	0.2
71.01401	0.4
85.02995	0.3
89.02431	0.3
93.10966	0.2
101.02428	0.3
113.02505	0.3
185.21469	0.2
297.19565	0.2
513.22418	0.3
624.31464	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.142
Annotation	Myricetin 3-robinobioside
Peak:m/z	Relative Intensity
59.01397	2.4
65.00332	0.8
69.72626	0.3
71.01414	1.0
79.04262	0.3
83.01383	0.4
87.00873	4.7
89.02432	1.4
89.41818	0.3
92.12293	0.7
93.55647	0.4
93.63172	0.4
96.95998	0.8
101.02429	1.4
107.01365	2.1
107.48190	0.3
109.03024	0.5
116.92859	0.8
121.02929	0.5
124.01669	2.5
125.02481	0.8
135.00945	0.4
137.02443	2.4
148.01677	0.3
151.00371	6.9
152.01125	1.4
161.02443	0.5
163.00400	1.5
164.01187	2.2
165.01857	0.5
169.01448	0.4
175.04051	0.4
178.99869	6.2
189.07454	0.3
199.04060	0.5
203.03476	1.5
204.04263	0.4
213.02180	0.3
214.02750	8.8
215.03459	1.3
227.03502	1.6
231.03018	0.4
232.03889	0.5
242.02235	7.5
243.03008	4.8
259.02502	7.4
270.01749	8.6
271.02496	50.8
272.02823	0.7
287.02008	28.6
288.02728	2.1
299.01920	0.8
300.02655	1.4
315.01111	0.4
316.02271	100.0
317.02960	12.1
332.81870	0.4
458.92532	0.4
565.25024	1.7
576.78711	0.4
625.14172	66.9
626.14569	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	625.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08669	0.5
59.01395	8.3
63.69938	0.6
65.34229	0.6
67.01881	4.3
71.01388	5.5
71.01695	0.7
72.99292	1.1
81.03432	1.2
83.01373	2.7
85.02937	0.9
86.84397	0.6
87.00832	0.9
88.04034	1.1
89.02416	6.1
95.01369	4.5
96.96007	3.4
99.41824	0.6
101.02437	2.7
108.02179	23.0
109.02921	1.6
111.00888	5.8
113.02438	3.0
115.04684	0.7
119.03504	0.7
122.03663	1.0
123.00827	3.4
123.04511	79.4
125.02442	3.3
134.03711	3.3
137.02423	4.8
138.03191	1.0
139.00363	5.2
152.01132	4.1
161.04602	0.9
166.02711	4.7
167.03488	33.6
179.05617	1.2
182.05811	1.3
197.08124	1.1
209.04529	1.1
232.11852	1.6
241.07182	100.0
293.12457	1.1
311.07883	0.8
322.19995	0.7
323.09875	6.5
491.14050	3.9
565.17517	6.5
629.22638	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95472	0.4
56.47281	0.4
57.05429	0.3
58.67207	0.4
59.01117	0.4
59.01394	10.8
71.01389	9.1
72.00912	11.5
73.02939	1.7
74.02475	16.1
85.02940	1.8
87.00878	0.6
89.02445	9.9
96.82057	0.5
99.00828	0.6
101.02443	7.0
113.02451	3.4
116.05058	52.2
117.05454	0.9
119.03505	4.0
119.61788	0.5
125.02422	2.8
130.06586	0.9
132.08173	0.6
135.62297	0.5
142.06624	15.4
147.18335	0.5
159.09285	11.8
161.04596	2.7
166.46782	0.5
179.05606	7.5
186.05579	2.9
203.08286	100.0
204.08644	3.5
212.88638	0.5
221.06648	2.3
264.97623	0.4
279.52267	0.5
284.16006	0.6
323.09897	9.0
388.70938	0.5
421.20786	0.9
422.16754	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	626.258
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82226	0.4
55.01884	0.4
59.01113	0.5
59.01387	11.6
71.01379	10.1
72.00906	12.1
73.02940	1.0
74.02071	0.9
74.02473	18.4
75.79653	0.5
84.60452	0.5
85.02946	3.1
87.00888	0.7
89.02444	13.1
97.02957	0.6
101.02433	7.8
113.02450	5.1
116.05059	57.1
117.05449	1.2
119.03485	5.4
125.02434	3.7
130.06625	0.8
131.03459	0.8
142.06636	16.6
144.04591	1.0
149.04523	0.6
159.09286	10.2
161.04619	2.3
179.05592	5.4
186.05615	2.9
190.45807	0.5
203.08290	100.0
204.08591	3.4
221.06627	2.7
233.43353	0.6
260.59729	0.5
271.24936	0.6
323.09863	14.8
421.20831	0.8
422.16708	16.0
422.22028	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
56.71992	0.2
57.03466	0.3
59.01395	2.2
61.98791	0.3
71.01040	0.4
71.01394	8.3
72.04559	2.6
82.02988	1.1
85.02952	0.3
96.00916	3.3
98.02476	0.7
99.00880	1.4
99.51421	0.3
109.01693	26.7
112.57820	0.3
114.01969	2.6
114.09238	4.5
115.00360	1.6
130.08733	100.0
131.09073	1.5
138.09232	1.2
140.10818	13.6
142.08746	16.4
156.10265	0.7
166.08736	6.7
168.06696	1.2
184.09782	5.7
186.07767	3.0
199.18193	0.4
200.09293	0.5
200.18602	0.3
210.07739	27.3
211.08076	0.6
228.08795	18.1
243.17139	2.4
244.17406	2.0
245.17654	0.6
246.09836	44.4
260.68344	0.3
516.15045	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91743	0.2
59.01388	91.0
60.01737	0.2
60.99305	0.2
71.01386	1.0
75.00871	1.3
85.02973	0.3
88.98809	2.3
89.02454	1.0
93.03456	1.5
96.95990	0.3
101.02439	0.3
105.03465	0.5
108.02229	0.3
121.02947	4.9
122.03748	8.0
123.04533	0.4
124.74016	0.2
133.02960	1.6
134.03752	1.0
135.04526	0.3
136.01685	0.3
147.04559	0.5
148.01703	0.3
149.02449	39.4
150.03232	80.9
151.04025	1.7
160.05260	0.5
161.02448	9.4
161.04503	0.3
162.03204	0.3
163.04065	0.3
163.07677	0.5
164.04803	10.3
165.05573	100.0
166.05930	1.5
174.49493	0.2
175.07681	2.3
176.04770	5.9
179.03503	16.1
180.04279	7.1
185.57854	0.2
191.07179	2.6
192.43642	0.2
193.08734	0.3
194.05853	18.7
195.06636	71.2
196.06973	1.3
209.08208	35.6
210.08481	0.4
264.07419	0.2
281.07950	0.2
295.06110	0.3
310.08383	1.1
313.10776	1.0
342.11115	8.8
343.11450	0.4
357.13480	43.2
358.13739	0.9
387.14294	0.5
405.15588	28.1
406.15848	0.5
533.47992	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.23
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03296	0.3
54.14626	0.4
59.01388	52.9
61.62920	0.4
71.01370	2.3
73.02935	0.7
75.00861	0.4
77.14722	0.4
85.02951	1.0
87.00883	0.4
88.04026	0.9
88.98809	1.1
89.02446	1.0
93.03457	1.6
98.55154	0.4
105.00683	0.4
105.03426	0.6
111.08149	0.9
113.02476	0.7
116.92852	0.6
121.02947	2.0
122.03754	7.3
123.04509	0.5
128.03519	0.7
133.02925	1.9
136.01649	0.6
138.14003	0.4
149.02441	10.5
150.03227	79.4
151.03806	0.7
161.02460	8.8
161.04552	0.5
164.04811	4.8
165.05566	100.0
166.05815	0.7
173.08195	1.9
176.04790	5.0
179.03488	13.7
180.04333	6.8
191.07146	2.8
194.05846	17.0
194.07509	0.8
195.06636	78.9
196.06972	0.8
206.99393	0.8
209.08212	39.2
222.01711	0.7
236.09273	0.8
311.16177	0.5
357.13449	0.9
362.96426	0.5
405.15570	9.1
622.34485	0.5
627.34613	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13289	1.3
53.56887	1.2
58.00588	3.6
58.65452	1.3
59.01386	100.0
62.64958	1.1
68.33237	1.3
71.01382	66.0
71.87579	1.3
72.99304	2.5
75.00873	1.4
82.18391	1.4
83.01359	2.2
83.65061	1.4
85.02946	11.3
87.00861	2.9
87.04491	1.2
89.02438	82.5
92.11712	2.9
93.25204	1.4
101.02438	33.2
111.08150	14.4
112.08473	2.2
113.02444	23.4
119.03477	26.8
125.02437	1.9
131.03487	1.7
136.96754	1.5
143.03506	2.3
143.26485	1.5
145.02917	3.4
150.03163	1.6
157.08621	1.7
161.02449	23.9
161.04535	8.3
162.03215	42.7
165.05490	3.2
173.08176	18.1
174.08521	6.0
174.88931	3.0
176.01173	2.8
176.04791	12.6
177.05565	22.6
179.03484	33.0
179.05579	25.3
191.07144	2.7
193.66957	1.9
194.05835	32.5
195.06668	5.3
209.08191	36.1
231.29716	1.5
297.87473	1.7
357.11920	8.1
357.94370	1.8
627.34741	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	627.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23916	2.4
59.01387	48.7
60.18221	2.6
60.98923	2.6
61.98841	24.7
71.01389	31.2
71.64748	2.7
72.99319	2.9
73.02932	2.9
78.95880	2.9
83.53807	2.7
85.02942	11.9
89.02445	37.3
96.96000	11.8
97.02985	3.2
101.02444	29.9
113.02457	20.6
116.92876	3.0
119.03496	19.0
143.03542	4.6
153.09232	4.8
161.04485	3.6
179.05643	29.2
241.15904	24.6
271.72983	3.0
281.25922	3.2
303.08765	3.8
303.16147	27.5
426.81229	3.9
449.05368	3.4
567.23328	3.4
627.25031	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	628.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.3
70.16438	0.2
70.38778	0.2
99.92578	9.7
102.89986	0.2
103.49508	0.2
114.93356	0.3
116.92857	100.0
116.97189	1.7
117.01939	0.4
117.92879	1.2
143.65317	0.2
156.00560	0.2
289.83539	0.3
314.97711	0.3
348.08698	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21299	0.6
55.01900	0.7
58.28352	0.6
59.01385	86.1
60.01725	1.2
61.98830	4.7
71.01369	3.4
85.02938	1.0
87.30740	0.6
88.98785	1.3
89.02456	6.8
93.03467	1.2
95.05000	0.7
101.02435	2.6
104.41013	0.8
105.03452	4.2
113.02464	1.2
121.02985	0.8
122.03727	7.7
133.02965	16.5
136.78722	0.7
149.02440	11.9
150.03221	68.6
151.03722	1.1
162.03082	1.4
164.04794	4.6
165.05562	100.0
166.05841	0.9
176.01106	1.4
177.01978	7.9
177.05519	1.4
179.03534	1.4
180.04285	7.7
181.05078	3.2
194.05836	1.4
195.06625	86.2
196.07446	1.5
209.08163	1.0
210.08507	1.0
211.09769	3.0
263.61597	0.7
303.39923	0.7
359.15054	3.7
407.17130	32.8
536.03723	0.9
629.35077	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	629.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29035	0.4
59.01386	77.1
61.98825	2.9
71.01363	1.9
71.06209	0.4
81.35220	0.5
85.02930	0.7
88.98777	0.7
89.02409	0.8
93.03448	1.0
96.95994	0.9
121.02946	0.8
122.03730	5.9
126.05521	0.5
127.05106	0.8
129.10313	0.9
133.02942	0.8
136.01657	0.7
145.06146	0.7
149.02428	14.5
150.03220	69.4
151.03963	0.8
153.01871	0.5
161.04474	0.8
164.04820	5.6
165.05563	100.0
168.04234	0.6
180.04294	6.1
181.05054	1.1
182.02332	0.7
195.06627	81.7
196.07190	1.2
197.04553	0.7
211.09740	1.2
250.11655	0.5
256.25494	0.5
289.66388	0.5
321.19614	0.6
323.15137	0.5
344.12735	0.7
359.14978	4.1
407.17148	32.1
452.45798	0.6
629.35034	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	629.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26625	0.6
59.01385	100.0
60.00242	0.6
60.98244	0.5
60.99312	4.4
61.98829	2.1
71.01373	1.2
83.16206	0.5
88.98294	0.9
88.98804	21.2
89.02442	7.2
96.95985	3.0
101.02384	0.9
116.92847	0.7
121.02900	2.4
122.03709	3.7
125.02460	1.1
135.04572	0.6
149.02437	46.9
150.03220	41.9
164.04785	15.9
165.05560	56.1
169.01454	1.1
180.04242	3.8
181.05069	5.1
191.77289	0.5
193.08691	2.7
195.06625	31.1
195.08411	1.2
196.07370	3.9
197.08215	2.3
197.11641	1.8
211.09853	4.7
216.17883	0.5
241.10805	1.3
312.10056	0.6
344.12665	16.1
359.15024	67.3
389.16010	1.1
407.17136	46.5
543.60150	0.6
629.17529	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88384	0.6
58.02983	4.4
59.01386	7.8
61.98841	11.2
66.03484	1.1
70.02982	0.6
71.01379	4.0
72.83047	0.7
72.99302	4.2
73.04066	3.3
74.02478	1.1
75.00867	0.8
79.06529	0.7
80.42655	0.8
82.02983	5.6
84.00941	0.8
84.04543	1.6
86.06096	1.0
87.05638	20.6
88.04031	4.9
88.98784	0.8
89.02420	3.8
89.18915	0.7
92.66005	0.7
96.04536	1.0
96.96001	1.3
97.04055	1.3
98.02477	1.3
99.05647	0.8
101.02463	1.3
101.07172	3.0
102.90342	0.7
109.04095	9.9
110.02469	9.0
110.06069	0.8
111.05634	1.1
111.78632	0.7
112.04037	8.3
112.07660	1.7
115.08739	1.0
116.07169	86.0
116.92933	0.8
122.09753	4.6
123.03302	2.0
125.07196	1.7
126.05681	2.4
126.06727	13.0
127.05122	19.0
127.08743	5.4
128.03529	16.0
129.06700	30.5
134.03728	1.2
134.27884	0.9
137.07152	3.2
138.09233	1.1
139.08698	0.7
141.06680	1.0
144.07791	16.0
145.06201	1.0
154.07484	3.2
154.09865	7.3
155.08266	4.8
155.11960	1.2
165.05515	1.2
165.10333	4.3
166.08720	27.9
167.03474	1.1
168.07771	4.2
169.06200	1.2
171.15027	18.8
172.10925	1.7
181.09811	3.6
181.13446	3.9
183.11383	14.8
186.08873	1.7
193.04945	1.5
196.10899	9.0
197.10486	12.7
197.12959	3.7
198.08894	1.3
208.10843	1.1
209.09335	21.0
210.16061	0.9
215.11499	3.8
215.14050	5.6
227.10367	6.5
239.11432	14.4
240.09959	1.0
256.20395	1.5
257.12564	12.3
258.10858	2.8
264.17142	1.8
282.18237	18.5
326.17252	27.8
327.24176	1.1
353.22464	0.9
400.91754	0.8
424.22018	1.6
498.25848	0.8
569.31775	1.4
585.28949	71.8
586.29047	3.7
592.42499	1.0
611.30640	4.3
629.31604	100.0
630.32117	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3851
Annotation	(-)-Pleiomutine
Peak:m/z	Relative Intensity
57.40466	0.2
59.01136	0.3
59.01389	3.1
62.89769	0.1
81.03113	0.2
92.12364	0.2
97.55828	0.2
106.33723	0.2
114.39178	0.2
117.03460	27.7
119.05019	0.3
121.02950	3.2
123.04507	1.0
126.74005	0.2
130.56161	0.2
133.02911	0.3
134.03734	0.3
145.02959	100.0
146.03300	1.7
152.15189	0.2
162.03210	2.2
219.17503	0.2
259.31781	0.2
362.09830	0.2
423.32809	0.3
569.36438	0.4
629.38593	53.2
630.38849	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	630.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	7.1
59.01385	1.2
61.98843	3.6
70.02976	1.1
74.02470	19.3
82.02994	1.5
86.02497	7.4
86.06113	1.6
86.99107	1.1
87.05648	6.4
89.02449	1.1
96.96039	1.2
99.05646	16.5
101.07198	1.9
102.05575	1.1
106.51323	0.8
109.04090	3.1
112.04024	1.4
123.52052	0.9
124.04055	1.0
126.26007	0.8
127.05123	3.6
128.03535	43.6
135.05650	3.9
141.06735	3.5
143.04631	64.3
145.06233	3.5
146.04607	4.3
153.06667	5.9
160.00743	16.4
162.02977	1.0
166.09811	1.1
167.04634	5.0
167.08264	1.2
170.81133	1.0
177.03413	4.9
179.04610	12.0
179.64256	0.8
181.06261	1.3
185.05707	1.6
192.07881	1.3
197.05751	0.9
198.08798	1.0
210.08875	13.3
242.07683	1.1
251.11052	1.0
254.07848	9.5
272.08917	17.6
288.06659	6.3
306.07687	100.0
347.55612	0.8
641.88940	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11920	0.4
61.98838	77.0
64.10313	0.5
64.81123	0.4
70.67321	0.4
74.79532	0.4
78.95899	0.8
122.32334	0.5
147.50671	0.5
190.00697	0.5
212.08357	0.8
220.87746	0.5
225.09074	1.7
239.10707	0.7
240.11629	2.7
253.08749	6.9
267.10284	3.2
268.11072	75.0
269.11493	2.5
271.09650	0.5
283.13419	100.0
284.13763	3.4
317.43692	0.5
477.22913	0.5
493.40164	0.5
567.27563	59.8
568.27820	3.6
630.22992	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85513	0.1
61.98856	0.1
73.02954	0.3
78.95876	0.1
92.12390	0.2
99.92580	8.9
114.93418	0.4
116.92856	100.0
116.97231	1.2
117.01933	0.4
117.92854	1.4
123.30792	0.1
136.70230	0.1
192.74406	0.1
211.88881	0.1
256.39426	0.1
639.67938	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
63.54284	0.1
63.72844	0.1
68.94989	0.1
71.26573	0.1
73.02947	0.7
74.21179	0.1
82.82788	0.1
92.11700	0.2
92.98553	0.1
99.00874	0.1
99.92584	9.1
100.92542	0.1
114.93428	0.4
116.92860	100.0
117.01958	1.0
117.40186	0.1
117.92851	1.3
140.10464	0.1
166.50623	0.1
193.92177	0.1
304.95151	0.1
330.95132	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89679	0.1
59.01387	1.5
59.12381	0.2
71.01366	0.2
81.18184	0.2
124.87735	0.2
174.10265	0.2
201.08516	0.2
234.19394	0.2
254.13039	0.2
259.20731	0.4
275.20090	0.4
277.21732	100.0
278.22037	1.1
466.23370	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72392	0.1
58.02991	0.9
59.01387	1.9
59.40247	0.1
61.98833	0.1
82.06631	0.2
87.04530	0.2
89.57554	0.1
116.07130	0.2
128.10829	2.9
130.08734	100.0
130.53847	0.1
131.09087	0.8
148.91061	0.1
172.09801	65.4
173.10120	0.8
174.99207	0.3
199.87888	0.1
215.09242	0.1
216.08751	0.9
217.00334	1.4
217.10690	0.1
385.11514	0.1
525.45190	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	632.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68796	0.6
57.05673	0.6
58.02979	7.4
59.01376	1.4
61.98835	1.1
70.02956	0.8
74.02477	17.3
82.02981	1.5
86.02471	5.5
87.05647	4.1
97.04070	1.0
99.05650	17.9
101.07196	1.2
102.05582	0.9
109.04079	1.5
111.05689	0.9
112.04057	1.6
123.05649	0.8
124.04045	0.9
127.05146	1.6
128.03528	42.6
128.04483	1.4
135.05656	5.3
137.07202	0.9
141.06734	5.0
143.04625	59.4
145.06226	3.2
146.04623	4.5
153.06665	1.7
160.00748	13.0
166.09892	3.4
167.04735	3.4
167.08301	0.9
171.06154	0.9
177.03375	5.8
179.04626	11.4
181.06250	1.1
185.05629	1.6
197.05635	1.3
210.08879	12.6
254.07880	8.2
272.08902	14.9
288.06631	4.9
291.38434	0.9
306.07690	100.0
350.15720	0.9
415.01254	1.0
431.64383	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82527	0.3
58.02709	0.4
58.02984	8.2
59.01363	0.4
61.98827	0.5
66.03477	0.5
70.02972	0.5
72.00916	1.6
74.02473	14.8
80.03783	0.4
81.04581	0.6
82.02972	1.8
84.04541	0.7
85.04076	0.5
86.02477	5.9
86.06123	0.9
86.99077	1.7
87.05628	4.0
90.00172	2.0
96.04556	0.4
96.96003	0.5
97.04065	2.2
98.43165	0.4
99.05640	14.6
100.00393	0.4
101.07179	1.5
102.05579	1.8
109.04063	2.2
109.07711	0.6
111.05622	0.9
112.04031	2.2
113.03607	0.5
116.01778	0.9
120.01235	0.6
123.05625	1.8
124.04037	0.6
125.03545	1.7
126.02003	0.6
127.05104	3.7
128.03531	42.9
131.04633	0.6
135.05650	3.9
137.07196	1.7
141.06726	4.6
143.04628	60.7
144.01299	0.4
145.06186	1.9
146.04596	5.0
153.06664	4.4
155.08279	0.6
160.00752	16.4
166.09909	2.7
167.04605	4.4
167.08260	2.5
167.30188	0.4
171.07724	0.5
177.03387	4.5
179.04611	12.6
181.06172	2.6
184.10909	0.7
185.05687	2.2
192.07796	0.4
197.05659	0.9
198.08754	0.4
210.08878	10.7
239.86584	0.4
241.58322	0.4
242.07693	0.6
248.48967	0.5
254.07811	10.4
272.08932	13.0
272.11880	0.6
288.06628	4.7
306.07693	100.0
307.08047	0.9
341.95303	0.4
423.29816	0.4
582.86646	0.4
632.28223	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73069	0.1
52.06417	0.1
53.03932	0.1
57.33992	0.1
59.01387	0.2
64.26381	0.1
66.12276	0.1
73.02951	1.8
78.68723	0.1
92.11579	0.3
99.00861	0.8
99.92581	9.1
114.93425	0.7
116.03536	0.1
116.92855	100.0
116.97242	0.6
117.01939	2.7
117.92883	1.2
134.14973	0.1
159.78117	0.1
197.53207	0.1
233.78209	0.1
307.15573	0.1
450.49161	0.1
468.10242	0.1
629.18604	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.3
61.98830	0.1
67.02781	0.1
73.02950	0.6
76.57562	0.1
99.00870	0.1
99.92578	8.5
114.93414	0.4
116.07183	0.1
116.92854	100.0
116.97233	1.2
117.01921	0.8
117.92853	1.6
134.20267	0.1
144.09644	0.1
149.93747	0.1
336.45639	0.1
438.16483	0.1
441.36316	0.1
554.44373	0.1
633.40204	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.3
57.03437	0.3
58.00594	0.4
59.01385	26.5
59.71612	0.2
71.01382	12.4
71.05024	4.0
72.99300	0.8
73.02927	0.5
74.34850	0.2
75.46040	0.2
77.91925	0.2
83.01389	0.4
85.02950	3.2
87.00867	0.5
89.02441	19.0
89.80203	0.2
95.01363	1.0
99.00892	0.3
99.04508	11.3
101.01761	0.4
101.02432	11.7
101.06065	0.5
107.05012	0.9
113.02444	7.7
113.06095	0.5
114.05595	0.3
115.00373	0.3
116.07156	0.9
116.92834	0.8
117.05573	27.8
118.05978	0.2
119.03496	8.7
119.05040	0.3
121.84621	0.2
127.08783	0.2
131.03508	0.2
131.07231	0.2
133.01433	0.9
140.62711	0.2
141.88161	0.2
143.03490	0.5
149.04550	0.5
159.06607	1.4
161.04514	0.3
163.04068	0.9
165.37137	0.2
179.05615	1.4
203.92964	0.3
221.10220	0.2
245.88330	0.2
277.11948	1.0
278.12195	0.3
279.10870	100.0
279.13196	4.6
280.11169	1.5
353.14545	0.8
471.47241	0.2
561.37769	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2694
Annotation	Orthosiphol T
Peak:m/z	Relative Intensity
50.70697	2.2
56.30040	2.1
58.76345	2.2
59.01380	13.4
61.98837	4.3
71.01376	9.5
74.02448	3.2
89.02433	5.6
92.12411	2.5
96.95990	21.1
99.05655	5.0
101.02395	3.7
128.03522	11.0
138.44685	2.6
143.04633	17.7
144.76906	2.8
150.03226	3.6
160.00720	5.1
174.05203	2.7
185.44905	2.5
201.67314	2.5
221.17876	3.0
272.08679	3.0
306.07727	25.5
307.07962	13.0
633.26935	100.0
656.86334	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	633.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59061	2.6
59.01392	44.3
71.01383	29.8
71.20796	3.0
73.02937	3.2
73.36383	2.8
76.57294	2.9
89.02445	17.2
92.12322	4.9
93.71138	3.5
101.02441	14.1
105.31207	3.1
108.27812	3.4
110.75349	3.0
113.02446	4.3
119.03533	3.8
125.02454	15.2
149.04567	3.5
155.53938	3.3
174.88246	3.1
211.13251	5.0
247.20654	4.3
291.19666	54.5
293.21240	13.4
309.20767	100.0
315.19623	13.3
333.20792	15.3
381.22672	4.5
402.84399	3.4
411.23807	14.7
453.25027	5.0
471.25803	21.7
633.31415	98.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25974	0.4
50.90624	0.4
59.01395	100.0
70.74561	0.4
76.96970	0.4
78.95940	0.5
92.11691	1.0
96.81660	0.4
114.93438	2.0
129.38991	0.5
141.01707	38.6
148.68515	0.5
170.71457	0.5
228.25301	0.6
245.27512	0.5
255.23502	2.0
281.24902	0.7
337.23755	0.6
358.41647	0.5
396.05362	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3802
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
55.53906	0.3
55.64957	0.4
57.67850	0.3
61.98817	0.6
67.04186	0.3
75.95715	0.3
87.69018	0.4
93.36481	0.4
93.51368	0.5
96.13282	0.4
101.61310	0.4
103.01950	0.3
103.49129	0.4
117.03455	23.7
119.05019	13.2
121.02953	2.5
139.36102	0.4
145.02951	100.0
205.12357	0.4
428.81833	0.5
469.33047	0.8
513.31946	0.5
589.39056	0.9
633.38049	70.8
634.38556	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	633.4016
Annotation	Lucyoside Q
Peak:m/z	Relative Intensity
54.28052	0.2
55.01855	0.3
59.01385	6.2
66.38602	0.2
70.09760	0.2
71.01379	7.0
73.15209	0.3
83.01379	0.6
85.02952	0.6
85.59523	0.3
89.02435	10.5
89.96366	0.3
101.02429	4.2
101.65122	0.3
108.32043	0.3
113.02417	1.4
116.92898	0.3
119.03497	1.3
143.03499	0.5
149.04648	0.3
161.04491	0.7
176.02538	0.3
179.05608	5.9
192.80261	0.3
215.82326	0.3
277.21768	0.7
453.33783	100.0
454.34091	5.3
535.33942	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46598	0.4
54.61842	0.4
56.94211	0.4
57.03706	0.3
59.01370	0.8
61.98834	0.7
64.83746	0.4
65.70591	0.4
67.01044	0.4
78.95891	1.8
99.92570	7.5
116.92850	100.0
116.97223	7.9
117.01948	0.7
117.03465	1.9
117.92870	0.6
119.05019	0.8
138.99329	0.5
145.02972	7.1
146.03293	0.9
224.13940	0.5
494.33441	0.8
514.22528	1.1
554.35858	0.5
593.27264	0.6
633.38342	2.0
634.38623	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	634.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62951	0.4
58.02986	7.7
59.01374	0.6
60.36292	0.4
61.98835	0.6
63.35917	0.4
64.34718	0.4
66.03497	0.5
72.00899	0.7
74.02074	0.7
74.02475	15.0
74.57031	0.5
81.04568	0.7
82.02972	2.0
86.02480	5.5
86.06144	0.6
86.99107	1.9
87.05614	4.8
90.00173	0.8
92.17429	0.5
92.28622	0.5
96.95975	1.0
97.04080	1.1
99.05640	16.5
101.02491	0.6
101.07186	2.3
102.05608	2.7
106.55793	0.4
107.06150	0.6
109.04070	2.8
112.04045	1.1
113.03577	0.6
116.01747	0.8
116.92851	1.2
120.01242	0.6
121.11640	0.5
123.05670	0.9
124.04023	0.7
125.03563	0.8
126.01926	0.5
127.05125	2.5
128.03543	42.2
134.47012	0.5
135.05647	4.0
141.06720	3.8
143.04633	57.3
145.06212	2.9
146.04616	5.2
153.06737	4.7
155.08275	0.6
160.00749	13.8
166.09830	2.5
167.04611	4.3
167.08299	2.3
171.07744	0.5
177.03398	4.5
177.32393	0.6
179.04634	10.8
181.06245	1.1
184.10799	0.6
185.05728	2.2
197.05708	0.9
198.08899	0.6
210.08882	11.3
242.07886	0.8
254.07863	8.4
272.08929	14.7
272.11331	0.6
288.06638	4.7
306.07706	100.0
307.08002	0.5
634.29962	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	635.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13110	0.2
51.63975	0.2
54.82798	0.3
55.01887	0.5
57.03458	0.6
58.00602	1.6
59.01385	54.0
66.15337	0.2
71.01379	25.8
71.05020	0.3
72.99297	1.8
73.02975	0.2
74.02469	0.4
80.75381	0.2
83.01399	1.6
85.02959	4.8
87.00876	1.0
87.04509	0.4
87.05627	0.2
89.02440	35.7
95.01389	1.7
96.49567	0.2
99.00933	0.2
101.02438	19.5
109.01682	0.4
110.02459	0.4
113.02444	12.7
113.03571	1.9
115.04027	0.6
119.03487	14.8
119.05032	1.3
126.04368	0.5
127.05140	0.6
130.08730	2.8
131.03502	2.0
131.09085	0.4
133.01437	0.6
133.05116	1.4
143.03531	1.4
149.04596	0.5
155.38472	0.2
161.04565	1.2
162.69510	0.3
163.04028	1.2
164.07184	0.3
179.05647	1.4
180.06671	4.7
191.08302	1.8
202.10878	0.3
206.68869	0.2
216.06683	0.4
233.09386	0.3
277.08337	3.4
282.65439	0.3
292.16812	0.4
294.10977	0.5
295.10367	100.0
296.10696	1.7
345.35245	0.3
354.82074	0.2
451.37039	0.3
471.22980	0.3
560.86334	0.3
560.95288	0.3
577.13153	0.3
646.12073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82306	0.3
55.01870	0.4
57.03451	0.4
58.00601	1.1
59.01384	45.6
67.84107	0.2
71.01381	23.3
72.99318	1.8
73.02933	0.3
74.02504	0.3
83.01393	1.2
84.01050	0.3
84.02227	0.2
85.02950	4.4
87.00867	1.2
87.04484	0.4
89.02438	29.6
95.01369	2.0
99.00908	0.2
101.02436	16.4
109.01685	0.2
110.02456	0.4
113.02447	11.3
113.03558	2.4
115.00346	0.4
115.03988	0.8
119.03485	13.5
119.04892	0.7
126.04362	1.1
127.05099	1.0
130.08707	0.5
131.03542	2.0
133.01440	0.5
133.05098	1.1
143.03496	1.2
149.04573	0.5
153.98582	0.2
161.04602	0.5
163.04033	1.3
179.05643	1.7
180.06671	4.4
191.08282	1.2
216.06570	0.4
260.05661	0.3
277.08331	4.3
295.10355	100.0
296.10782	1.0
315.50464	0.2
462.28146	0.2
495.21533	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
63.78843	0.1
78.95950	0.1
90.26704	0.1
91.81242	0.1
96.24717	0.1
98.18944	0.1
120.79697	0.1
241.08748	0.2
254.05804	1.1
269.08215	14.0
270.08527	0.2
283.09808	0.2
284.10556	69.7
285.10852	1.9
299.12906	100.0
300.13251	2.8
335.10510	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09529	0.1
59.01391	0.6
73.02950	0.8
78.95898	0.1
82.54278	0.1
88.96671	0.1
93.57390	0.1
99.00857	0.4
99.92580	8.8
112.49800	0.1
114.93382	0.5
116.03514	0.1
116.07166	0.1
116.92857	100.0
116.97241	4.8
117.01940	1.0
117.92863	1.8
152.99492	0.1
194.19025	0.1
256.39554	0.1
265.37338	0.1
281.24783	0.1
284.85315	0.1
466.66968	0.1
560.07043	0.1
602.25043	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	635.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05445	0.1
58.50735	0.1
59.01375	0.4
73.02951	0.8
77.28507	0.1
86.12206	0.1
99.92582	9.4
114.93418	0.5
116.07136	0.1
116.92857	100.0
116.97243	5.3
117.01935	1.3
117.92858	1.3
187.65297	0.1
204.52481	0.1
232.71858	0.1
271.77023	0.1
467.86011	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	635.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74083	2.7
54.82516	3.5
59.01390	24.4
61.98813	2.7
65.68932	3.0
71.01389	24.0
73.02956	3.5
83.77512	3.2
85.02943	3.6
89.02415	4.5
90.22215	2.7
92.65000	3.8
101.02448	6.1
113.02458	3.4
120.96597	3.0
126.96087	3.4
195.13918	6.0
293.21158	25.0
295.22827	26.2
303.98380	3.8
311.22287	100.0
317.21204	29.0
335.22394	18.5
413.25467	15.4
473.27393	17.6
550.50513	3.5
635.32953	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82234	0.2
59.01385	100.0
60.01736	0.2
70.13046	0.2
71.01363	1.9
73.02932	0.3
85.02959	0.3
89.02448	2.7
99.64153	0.2
101.02465	0.9
113.02453	0.9
119.03522	1.0
143.03534	0.3
150.58740	0.2
151.29044	0.2
179.05753	0.3
179.68867	0.2
194.93962	0.2
203.62651	0.2
233.38351	0.2
301.79456	0.3
379.65610	0.3
500.77527	0.3
575.43121	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36138	0.3
59.01359	0.3
61.98823	0.6
63.78889	0.3
67.78767	0.3
74.95312	0.3
86.92099	0.3
89.02486	0.4
106.57899	0.3
111.42298	0.3
124.67264	0.3
137.87381	0.3
201.38858	0.4
219.34892	0.3
279.23303	100.0
280.23560	2.4
405.31558	0.4
453.33694	3.1
454.34448	0.6
455.34531	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	635.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06458	0.2
64.34278	0.2
67.07680	0.2
71.52266	0.2
73.23507	0.2
74.08003	0.2
75.25254	0.2
81.87482	0.2
99.26780	0.3
105.38589	0.2
118.53176	0.2
122.57398	0.2
126.16560	0.2
248.20451	0.2
250.15503	0.2
260.78290	0.2
261.22107	0.3
279.23303	100.0
280.23608	1.7
438.12927	0.2
475.29938	0.2
483.32086	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31134	0.2
56.44220	0.2
58.60728	0.2
72.73104	0.2
73.02946	0.8
78.95901	0.5
92.65961	0.2
99.92574	5.4
100.38394	0.2
114.93422	0.4
116.92851	100.0
116.97245	3.7
117.01938	1.3
117.92873	1.1
131.91635	0.2
141.94310	0.2
152.99585	0.3
279.23303	0.5
311.16879	0.4
345.74628	0.2
346.09674	0.2
496.52353	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97087	0.2
59.01388	0.3
59.22430	0.2
73.02928	0.3
78.03982	0.2
78.95892	0.3
92.12394	1.0
94.95655	0.2
99.92583	5.8
114.93427	0.3
115.24392	0.2
115.38564	0.2
116.92854	100.0
116.97238	3.7
117.01942	1.1
117.92851	2.9
148.52310	0.2
157.56978	0.2
207.80547	0.2
279.23245	0.3
389.39459	0.3
437.91959	0.2
447.28568	0.2
638.87653	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.267
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82600	0.2
55.22296	0.2
58.02983	22.2
70.02601	0.3
70.02978	7.7
72.00910	4.8
74.91776	0.2
91.05532	9.3
91.74556	0.2
92.11796	0.6
94.54896	0.2
96.96001	0.6
147.04530	30.5
148.04921	0.4
162.09271	0.5
164.07182	90.6
165.07539	1.4
206.08246	100.0
207.08556	1.7
245.17520	0.3
250.07182	1.4
257.57587	0.3
545.94122	0.3
546.70044	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53166	0.4
59.01384	96.8
61.98824	1.3
67.20602	0.5
71.01409	1.7
75.76688	0.6
82.95409	3.5
85.02954	0.7
89.02439	2.8
96.96009	4.8
97.02939	0.6
99.00921	0.6
101.02409	1.1
107.01366	1.0
113.02395	0.5
121.02921	0.6
135.00883	7.3
150.03249	3.1
151.04021	0.6
154.89647	0.8
161.02431	1.3
161.04523	0.7
163.00356	17.1
165.05693	0.6
176.04790	2.2
177.01964	0.7
179.03502	5.2
190.99861	79.7
191.07108	1.3
192.00569	4.4
194.05795	5.2
195.06538	0.7
206.02208	100.0
207.02892	7.1
207.06654	0.7
209.08176	9.6
263.03641	0.6
368.78275	0.6
415.10352	5.5
451.11804	0.8
460.02029	0.8
637.30798	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80344	0.2
59.01390	0.3
73.02962	0.3
75.89452	0.2
76.17433	0.2
78.95908	0.6
92.79101	0.2
99.92590	5.5
108.14664	0.3
114.93496	0.4
116.92859	100.0
116.97241	4.6
117.01929	0.5
117.92882	3.0
122.02443	1.3
129.50563	0.2
136.47664	0.3
148.26447	0.2
168.91997	0.3
183.09314	0.3
214.28107	0.2
247.01398	0.3
281.24979	0.3
303.74435	0.3
416.86136	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23571	0.2
58.22321	0.2
65.98119	0.2
73.02947	0.5
73.80460	0.2
74.40878	0.2
78.95908	0.6
79.27828	0.3
82.64734	0.2
82.95416	0.4
99.92580	5.8
101.61700	0.2
114.93416	0.3
116.92859	100.0
116.97227	2.3
117.01918	1.8
117.92863	2.9
122.02480	0.5
152.99614	1.0
153.07465	0.3
255.23454	0.6
281.24875	0.4
393.77350	0.3
413.00455	0.3
421.97269	0.3
638.32806	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.2
52.73707	0.2
53.66572	0.2
55.27469	0.1
55.56334	0.2
56.98403	0.1
58.00591	0.4
59.01390	11.5
71.01385	7.1
72.99298	0.4
83.01393	0.2
85.02945	1.4
87.00850	0.2
89.02439	8.0
95.01405	0.2
95.99529	0.2
96.95988	0.5
101.02441	2.8
107.01397	0.4
113.02454	2.1
116.92771	0.2
119.01363	0.4
119.03510	2.3
135.00885	2.6
143.03534	0.3
150.03197	0.9
156.92763	0.2
162.03218	6.4
163.00394	8.7
165.05647	0.2
177.01901	0.4
177.05565	2.0
178.02684	0.3
178.09535	0.2
179.05652	2.3
190.48811	0.2
190.99875	73.7
192.00211	1.3
205.01439	0.3
206.02220	100.0
207.02509	2.1
221.04572	91.0
222.04906	2.1
416.12683	0.3
496.83545	0.2
594.19824	0.2
609.22119	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82030	0.1
59.01392	1.4
61.98840	100.0
71.01395	0.9
89.02465	0.4
90.64989	0.2
96.96023	0.3
119.03520	0.3
120.01276	0.3
121.02948	0.2
179.07150	1.5
180.07547	0.8
181.07677	0.3
243.45880	0.2
245.13600	0.2
280.36249	0.2
306.95999	0.2
416.16647	0.3
417.16876	0.3
579.21820	0.3
580.22662	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82193	0.8
55.01867	3.3
57.03436	1.1
57.61795	0.6
59.01111	1.4
59.01388	26.5
68.11366	0.7
71.01382	21.1
72.99306	1.5
73.02939	10.7
83.01385	9.7
85.02528	0.9
85.02954	13.5
87.00880	1.1
89.02428	3.1
95.01366	0.9
97.02934	1.5
99.00877	2.9
101.02436	21.3
107.39011	0.8
107.79333	0.7
113.02438	6.8
121.18077	0.7
125.02419	1.6
153.22350	0.7
161.04622	1.5
273.18631	98.1
435.24042	9.3
581.29785	100.0
641.30585	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77663	0.4
64.34582	0.5
69.03461	6.6
71.01373	0.7
86.92121	0.5
97.02945	43.7
97.06542	0.5
97.08904	0.5
109.52548	0.5
111.04515	0.8
115.07587	0.5
121.83493	0.4
125.06062	2.1
127.07664	0.6
152.00896	1.2
165.12772	0.9
178.02548	3.8
181.12451	0.8
191.03236	5.0
195.13914	0.5
210.01527	7.0
211.13383	0.8
212.79250	0.4
214.67729	0.4
219.06422	6.5
223.13066	0.7
233.08034	1.1
233.11594	2.2
234.08678	1.2
237.11354	0.5
261.11099	29.9
262.11871	100.0
263.12219	2.3
291.19748	8.0
294.10883	11.9
309.20749	12.8
313.17953	0.8
331.18967	88.6
332.19421	0.7
496.98996	0.6
572.31677	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.5737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91073	0.1
53.87852	0.2
81.65435	0.2
81.71387	0.2
92.12424	0.2
103.43494	0.2
116.34506	0.2
176.08319	0.2
248.02252	0.2
261.23395	0.2
281.24777	1.6
282.25211	2.2
283.26462	100.0
284.26782	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	643.3318
Annotation	Ervafoline
Peak:m/z	Relative Intensity
50.88589	0.3
58.02976	4.7
59.01386	0.4
61.20393	0.4
61.98822	1.6
62.32454	0.3
71.01365	0.5
72.00883	1.9
73.04066	16.6
74.02074	0.8
74.02470	16.8
75.00874	0.6
79.74825	0.4
80.05055	2.2
82.02982	0.6
82.06593	0.7
83.02511	0.5
84.00892	0.8
85.04082	0.8
86.02477	2.7
87.05630	15.5
96.04556	0.5
96.96000	1.9
97.04056	7.2
98.02441	3.8
99.02011	0.5
99.05631	13.3
104.03526	9.4
109.07680	0.7
111.05594	0.5
113.03566	2.3
113.07199	8.6
114.05611	4.4
114.95643	0.4
115.05125	40.3
117.06681	2.6
123.05646	3.8
125.03552	1.8
125.07194	4.8
126.09316	0.4
127.05142	2.7
127.08749	4.7
128.03531	0.4
129.06659	0.6
129.10349	4.2
130.08708	0.7
131.04614	0.7
135.05592	0.4
136.03993	1.0
138.04303	0.8
139.08788	4.9
140.07167	5.0
141.10353	4.9
143.11925	0.9
145.49767	0.5
151.08736	0.6
152.07155	2.5
153.06693	30.2
153.10304	2.4
155.08267	2.6
155.11909	0.7
156.05457	0.7
165.06673	0.5
167.04701	0.5
167.08212	0.8
167.11911	2.3
168.11427	3.0
169.09845	2.9
169.11412	0.4
170.03271	0.7
170.09383	1.0
171.07742	9.0
172.39967	0.5
179.41139	0.5
181.09995	0.6
182.09500	0.7
183.11330	0.5
184.10905	33.0
186.12485	2.2
195.15053	0.7
196.10924	35.1
197.16620	2.8
200.14061	0.8
207.15062	3.7
208.13361	0.9
209.12953	3.2
210.12506	5.1
211.10956	1.5
212.10452	0.5
212.13968	0.5
214.11978	8.6
221.16512	0.5
222.16183	0.8
224.17659	4.8
225.16064	3.9
226.11951	2.9
228.09908	16.0
228.13565	2.8
238.19231	2.9
240.09644	0.6
240.17236	0.6
242.18816	5.1
254.18845	0.5
258.10965	0.9
280.20358	5.2
281.19882	2.4
288.12241	0.7
299.20963	1.0
309.19232	0.7
313.22705	0.5
323.20834	5.1
341.18280	0.9
341.21985	8.6
353.21719	0.8
379.23441	1.0
395.26797	0.9
422.27652	0.6
436.25677	2.5
438.27237	0.7
454.26685	0.8
496.27835	1.9
508.21616	0.5
508.27792	4.5
520.27966	0.5
521.31097	3.0
539.32050	0.7
553.29877	6.0
556.29980	7.3
565.30212	0.7
583.31012	6.2
595.31073	2.6
613.32086	25.6
614.32849	0.8
625.32428	4.6
643.33179	100.0
644.33722	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82171	0.4
57.03458	5.0
59.01385	1.8
69.03445	0.8
70.02936	0.4
71.01386	0.9
73.04076	0.6
78.56829	0.4
81.03456	2.9
83.01381	4.0
83.05052	0.5
89.02409	0.6
89.25737	0.4
92.12189	2.4
93.03453	1.0
95.01384	1.7
95.05012	2.9
97.02944	2.8
99.04523	0.6
109.02957	13.2
111.04527	4.1
121.02983	3.1
123.00879	4.5
123.04517	1.1
124.01677	3.5
125.02438	83.3
126.02797	0.9
135.04503	2.2
137.02448	24.4
138.03178	1.1
139.04008	19.0
141.06644	0.4
147.04556	0.9
149.06082	0.8
151.03970	2.4
153.01933	3.0
159.04533	0.9
159.28880	0.4
161.02443	2.8
162.03166	0.7
163.07622	0.5
164.01114	6.4
165.01930	18.7
166.02542	0.5
167.03500	22.5
173.06062	0.8
175.03976	2.2
177.01959	2.3
177.05579	4.7
178.02716	2.0
179.03493	16.0
181.05070	0.9
191.07155	1.9
200.04790	0.4
201.05585	2.1
203.03496	3.2
204.04327	3.3
215.07115	0.4
218.05804	0.5
219.06651	14.4
221.04587	6.4
242.82967	0.7
243.06552	1.8
249.53523	0.5
261.07584	3.3
292.13080	2.8
293.13251	0.9
305.06689	100.0
306.07095	3.1
341.09018	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02903	0.6
56.30283	0.5
59.31971	0.6
117.02651	1.3
117.03453	28.5
117.04293	1.1
119.05013	12.8
121.02943	2.6
145.02953	100.0
147.49243	0.8
163.04007	1.6
188.48711	0.7
190.05061	0.7
350.33774	0.8
368.85019	0.7
439.32413	3.0
483.31268	2.7
603.37067	1.4
647.35980	78.8
648.36279	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	649.3967
Annotation	Sutherlandioside C
Peak:m/z	Relative Intensity
51.88730	0.1
55.01870	0.8
55.14858	0.1
57.03457	0.2
58.00592	0.2
59.01110	0.2
59.01386	5.7
71.01383	4.0
72.99307	0.2
73.02943	1.7
83.01377	1.4
85.02951	2.8
86.00094	0.6
87.00857	0.3
89.02435	1.1
95.01376	0.3
99.00876	0.5
101.02447	3.6
109.83344	0.1
113.02435	1.2
290.19742	0.1
294.31027	0.1
323.57507	0.2
439.32379	0.1
487.34332	8.0
488.34375	0.2
649.39673	100.0
650.40033	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	649.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33601	0.3
55.01887	0.5
57.03437	0.5
59.01398	7.6
61.98830	0.4
63.72086	0.4
69.28464	0.3
71.01392	3.2
71.05011	0.6
73.02948	2.0
83.01380	0.4
85.02950	2.5
85.61033	0.4
89.02448	0.7
89.83551	0.4
95.03200	0.4
99.00880	0.5
101.02441	4.5
105.29589	0.4
113.02455	0.9
117.90546	0.3
121.03011	0.4
159.38945	0.4
212.68405	0.4
243.04147	0.4
287.56885	0.4
600.86035	0.4
649.39661	100.0
650.39966	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	651.3161
Annotation	Gnididilatin
Peak:m/z	Relative Intensity
56.62108	1.0
59.01401	14.0
59.70990	1.1
63.99241	1.2
64.90031	1.0
71.01399	11.5
73.02939	2.2
80.56099	1.2
81.38023	1.1
85.02942	1.4
89.02439	24.2
89.05376	1.2
99.00863	6.2
101.02428	5.5
113.02429	2.9
119.03458	1.7
125.02494	1.4
131.03506	2.0
149.04518	7.4
244.45013	1.1
244.65616	1.3
267.22620	1.4
409.37793	1.4
479.73373	1.3
615.33984	72.6
616.34192	1.4
651.31622	100.0
652.31592	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95895	0.2
116.92835	0.3
205.80666	0.2
248.94345	0.2
299.20197	100.0
300.20557	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	652.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27075	0.7
59.01381	3.1
71.01370	1.2
79.70847	0.8
91.01907	1.2
93.03460	2.0
96.95995	15.7
98.95615	1.0
107.37239	0.8
108.02170	36.6
114.99769	0.7
119.23965	0.8
121.02952	5.7
122.03748	12.5
123.04517	70.6
136.01656	5.6
149.02446	41.5
150.03236	100.0
151.03880	4.7
152.01163	4.6
164.04788	5.4
165.05568	87.2
167.03493	5.5
180.04335	9.4
195.02963	23.9
195.06642	22.2
229.15585	1.4
256.07480	8.7
271.09692	8.9
391.10397	58.1
392.10760	1.5
502.25476	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.226
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02988	83.0
58.45137	0.2
59.01389	4.1
61.98814	0.2
66.24775	0.2
70.14799	0.2
70.30810	0.2
71.01398	0.2
71.34303	0.2
90.02622	0.2
96.96011	4.5
96.96947	0.3
98.43459	0.2
98.95611	0.3
118.06629	0.3
130.08765	0.2
147.04530	1.0
164.07178	50.8
165.07532	0.3
172.45830	0.2
206.08244	100.0
207.08502	1.4
210.07889	0.2
235.95363	0.2
250.07224	2.6
289.64935	0.2
537.18781	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52315	0.2
59.01384	2.7
65.35638	0.3
71.01385	10.7
71.04623	0.6
71.05020	15.8
77.74717	0.3
88.04037	100.0
89.02438	0.4
89.04379	0.5
94.03994	0.3
98.06056	0.3
99.04495	5.7
105.86353	0.3
114.38268	0.3
116.03515	0.4
116.07160	2.9
116.92915	0.3
128.66678	0.3
129.05612	1.1
146.08241	55.8
147.08559	0.3
159.44765	0.3
168.67253	0.3
171.69508	0.3
217.77615	0.3
218.10361	88.9
219.10672	2.0
505.84494	0.3
557.71729	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33147	0.5
51.34255	0.5
55.01876	2.3
58.00591	3.1
58.65404	0.7
59.01386	87.6
69.03457	11.8
71.01382	92.3
72.99304	3.6
73.02946	17.0
75.00867	4.1
81.03447	5.7
82.95422	2.7
83.01380	8.2
85.02954	10.5
85.16588	0.6
87.00887	2.5
89.02441	100.0
95.01361	2.4
96.96017	1.2
97.02938	19.6
99.00880	18.4
99.04517	4.1
101.02436	16.7
107.43253	0.6
111.00862	3.0
113.02438	8.0
115.04002	12.5
119.03471	0.8
121.02957	3.9
122.03705	0.9
123.00901	0.7
125.02438	49.0
127.03994	2.7
131.03502	8.3
143.03497	3.9
145.46754	0.6
147.04512	0.7
149.02519	0.9
149.04584	12.8
150.03233	4.2
159.04515	8.4
160.05304	25.9
161.04652	1.5
161.06067	7.5
163.04051	4.5
164.04803	3.1
173.06108	2.9
175.06207	0.9
175.07632	19.7
177.05679	4.6
178.06305	5.2
191.05627	8.9
191.78546	0.6
193.08737	0.7
215.05611	0.7
233.06683	40.0
292.08337	1.0
293.08813	63.6
294.09378	0.8
329.13959	23.6
502.41910	0.6
653.24548	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	653.2458
Annotation	Eruberin C
Peak:m/z	Relative Intensity
52.66952	0.6
55.01884	2.6
57.03445	1.3
58.00590	0.8
59.01385	28.7
63.48306	0.5
69.03455	0.8
71.01379	24.6
72.99302	2.6
73.02943	11.4
75.00890	1.2
83.01365	4.2
85.02957	10.2
86.00101	0.6
87.00858	2.9
89.02435	12.2
95.01385	0.8
96.95978	1.5
97.02926	3.1
99.00877	7.5
101.02434	15.7
111.00888	1.5
113.02430	4.9
115.04008	2.4
117.87170	0.7
121.02960	10.9
122.16367	0.7
125.02428	2.3
131.03450	0.8
145.02924	0.7
149.04544	0.8
159.04509	3.3
221.31743	0.7
240.04236	1.6
255.06619	3.1
267.06677	0.7
268.07468	4.1
269.08228	8.8
270.08896	2.8
280.07321	1.5
281.08258	10.6
282.08978	5.7
283.09723	8.9
294.09082	1.1
295.09750	4.2
296.10583	2.5
297.11243	2.9
299.09283	8.6
300.10022	2.5
302.08081	1.0
309.11252	1.3
311.09262	4.0
312.10141	0.9
313.10678	1.3
314.08032	2.4
314.11636	9.3
315.01416	0.9
315.12390	7.9
325.10599	0.9
326.11591	12.3
327.12335	9.4
329.03027	2.9
329.13947	16.5
339.15887	0.7
340.09348	1.3
341.13919	10.2
343.11923	2.9
345.06140	1.3
355.11850	7.5
369.13474	0.8
381.60983	0.8
450.60638	0.7
461.14703	1.5
476.16837	13.6
477.17709	3.9
488.16776	4.2
489.17487	1.0
491.19296	23.1
503.19308	17.0
504.19492	1.1
608.21228	2.7
623.23499	100.0
624.24316	6.1
635.23517	54.5
635.32294	1.0
636.23859	3.9
653.24597	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	653.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45453	4.3
54.82472	4.6
59.01377	21.9
70.87450	5.6
71.01364	5.9
89.02426	19.1
99.00881	7.9
130.12726	4.9
134.92285	5.6
200.34099	6.2
617.35431	100.0
653.33160	83.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90038	0.3
63.08974	0.3
71.45038	0.4
78.95892	3.5
117.03448	19.4
117.04278	0.8
117.38312	0.5
119.05016	6.7
121.02922	1.1
123.04480	0.6
145.02950	93.3
146.03296	1.0
163.04082	1.0
226.80334	0.4
234.90170	0.5
299.20261	5.9
300.20499	8.2
301.20801	2.4
497.32187	0.7
617.38544	100.0
618.38934	7.8
653.30017	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11144	1.1
54.03563	1.2
55.01863	1.3
56.52071	1.3
59.01111	1.9
59.01392	52.2
60.71780	1.8
69.03431	2.1
71.01033	2.1
71.01389	31.4
72.99311	1.6
73.02945	5.5
78.95901	1.8
81.03389	1.7
83.01382	3.1
85.01521	1.6
85.02951	7.9
87.00871	8.5
89.02435	30.6
95.01331	1.9
97.02963	5.8
99.00867	2.1
100.60065	1.4
101.02433	22.5
113.02431	11.4
114.39102	1.5
119.03482	8.3
125.02411	11.0
133.27258	1.4
134.88387	1.3
143.03494	5.3
150.42578	1.3
156.61163	1.4
161.04559	5.7
206.44463	1.6
235.08202	9.5
255.23302	100.0
256.23541	2.1
305.08972	2.4
365.93259	1.4
397.13544	70.9
399.13101	1.7
415.14658	21.2
617.38611	1.8
629.72772	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	653.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46958	1.1
59.01388	2.5
63.79445	1.2
74.26748	1.0
74.95525	0.9
78.95884	12.2
84.36910	1.2
116.92843	6.6
152.99580	17.0
197.02249	6.6
418.75217	1.4
445.98026	1.4
455.35358	100.0
456.35876	4.3
595.28650	4.4
646.49841	1.4
653.38342	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58658	2.0
54.32031	1.9
60.89968	2.2
61.98840	2.7
76.57364	2.2
84.00048	2.2
96.96004	10.4
270.42068	2.9
315.49341	2.8
367.39584	3.0
586.99866	2.7
653.44336	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	653.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79553	0.9
60.14966	0.8
61.19928	0.7
61.98837	1.9
64.05727	0.7
77.52493	0.9
98.39232	0.9
98.74644	0.8
254.76552	0.9
315.76163	0.9
617.46265	1.2
653.44275	100.0
654.45239	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00605	0.3
59.01387	1.2
69.03436	0.4
71.01379	2.0
73.02938	0.4
76.85277	0.3
79.18323	0.3
81.03414	0.4
84.70705	0.3
85.02955	2.1
93.03448	0.4
95.01373	1.1
101.02438	1.6
108.02174	80.3
109.02961	25.7
113.02442	1.5
120.99647	0.5
121.02971	1.2
123.00838	0.5
123.04532	0.7
133.02937	0.6
133.31956	0.3
135.04544	0.3
142.23019	0.3
151.04056	0.6
151.61600	0.3
152.01155	71.8
153.01949	24.0
163.04002	1.6
163.49731	0.3
164.43265	0.4
165.01888	1.9
175.50632	0.3
186.74956	0.3
191.32652	0.3
200.14346	0.4
223.06137	1.4
315.07266	100.0
316.07706	2.4
591.16321	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.2
55.95436	0.6
57.03458	1.0
58.00604	3.5
59.01392	91.5
63.12348	0.6
69.03471	9.8
71.01391	85.3
72.43777	0.7
72.99303	3.4
73.02953	14.5
75.00871	5.2
77.13848	0.6
81.03476	5.3
82.44627	0.7
83.01382	5.6
85.02963	10.5
87.00877	4.9
89.02449	100.0
92.11626	1.4
93.03417	0.9
95.01373	0.9
97.02959	17.5
99.00882	20.0
99.04508	2.6
101.02445	13.8
108.02177	0.7
109.02956	6.8
111.00922	1.1
113.02457	6.6
115.04021	11.8
116.92838	0.9
118.76115	0.7
119.03503	1.8
119.04978	0.7
121.02943	20.1
122.03736	17.1
123.04510	1.5
125.02438	50.1
127.04017	1.0
127.55337	0.7
131.03500	9.4
135.04533	3.3
136.05316	1.5
137.02423	1.3
143.03490	4.4
147.04529	10.6
149.04564	13.5
149.05972	2.9
154.02673	1.2
154.21416	0.8
161.06068	3.7
165.05580	29.7
169.02884	0.8
173.04585	1.3
179.07130	9.8
191.05600	11.3
191.07181	0.9
233.06680	41.1
249.11888	0.8
271.09851	1.4
293.08820	75.3
301.10760	0.9
315.12488	2.9
346.14197	8.3
361.16629	41.6
613.14801	0.9
619.07574	0.9
655.26245	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	656.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84453	0.3
51.59745	0.4
55.89613	0.5
59.01385	2.0
59.29715	0.4
61.98837	27.0
63.02401	0.5
73.02957	0.5
75.00880	0.9
83.01367	0.6
91.01908	0.4
92.12385	0.6
93.03454	1.7
96.71207	0.5
101.02440	0.5
106.85999	0.4
107.01408	2.3
109.03004	0.6
132.02177	0.8
135.00891	1.8
143.04968	0.8
151.00351	3.0
153.01965	0.7
159.04512	1.0
163.00368	3.0
167.05038	0.7
169.06648	0.8
171.04582	0.8
175.81155	0.5
183.04630	0.6
185.06046	3.9
187.03938	4.5
189.05562	1.7
197.06174	1.1
199.04073	0.9
201.05606	0.5
211.04050	2.3
211.85524	0.5
213.05566	3.0
227.03516	43.6
228.04060	0.9
229.05063	17.3
239.03542	2.1
240.04163	0.8
241.05101	2.4
255.03006	75.6
256.03702	6.6
257.04578	9.6
267.02982	0.8
283.02579	0.6
284.03281	92.7
285.04053	100.0
286.04416	3.5
327.05231	0.8
593.15192	99.7
594.15576	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	657.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.5
71.01382	1.5
73.02932	1.2
74.19191	0.2
81.03461	0.3
85.02927	2.0
93.03443	0.2
95.01388	1.2
101.02419	1.0
108.02168	72.9
109.02959	23.5
110.03306	0.3
113.02441	1.2
121.02933	0.5
123.00876	1.1
123.04482	0.9
125.02428	0.3
133.02956	0.4
135.00839	0.2
135.04523	0.4
141.61095	0.2
151.04024	1.3
152.01154	67.7
153.01941	23.6
153.03246	0.2
154.02269	0.3
163.04007	1.8
165.01942	1.6
178.79178	0.2
181.05061	0.2
185.20258	0.2
190.20078	0.3
197.18678	0.2
312.82895	0.2
314.40771	0.2
315.07251	100.0
316.07678	2.6
317.07388	0.2
502.08783	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34312	0.3
52.75370	0.3
57.03460	3.4
59.01371	1.7
61.96087	0.3
61.98821	1.6
65.77055	0.3
69.03445	0.8
71.01370	0.8
80.02676	0.4
81.03463	3.9
82.82081	0.3
83.01379	5.0
85.02966	0.3
87.30975	0.3
89.02443	0.5
92.11794	0.7
93.03468	2.4
95.01390	0.6
95.05024	5.8
97.02951	10.4
99.04514	0.7
101.02431	0.5
107.05017	0.4
108.02164	1.5
109.02956	40.3
111.04471	0.5
117.03448	0.3
119.53938	0.3
120.99689	0.5
121.02948	5.2
122.03724	1.7
123.04519	27.7
124.01628	0.4
125.02437	26.5
126.06275	0.4
133.02951	0.3
134.03752	0.6
135.04512	3.0
137.02438	16.0
138.03168	1.8
138.60588	0.4
139.04021	5.7
145.02971	2.0
146.03729	2.3
147.04515	0.6
149.02434	7.0
149.06094	0.5
150.03218	2.6
151.04015	15.3
159.04515	4.8
160.05290	2.3
161.02458	1.4
161.06084	7.8
162.03232	2.3
163.04013	2.7
164.01151	5.1
165.01933	5.2
166.02675	0.5
167.03490	2.6
173.06049	0.8
174.03183	0.5
175.03947	3.3
175.07642	2.9
177.05560	0.5
179.03474	8.2
184.05438	0.5
185.06075	1.5
187.04031	7.7
188.04790	7.1
199.07607	0.8
201.05568	1.5
202.06410	2.9
203.07162	19.6
205.05075	10.7
212.04803	0.6
217.08752	1.5
221.08224	7.8
227.07198	3.4
230.05847	0.9
245.08203	23.0
247.06128	1.4
271.06241	0.8
289.07208	100.0
290.07578	1.7
341.10867	0.5
367.16202	1.6
377.42307	0.4
396.67319	0.4
649.32135	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60937	0.3
55.01885	3.2
57.03458	2.7
58.00607	0.3
59.01387	73.3
59.30776	0.3
60.49789	0.3
63.71186	0.3
71.01382	30.0
71.96053	0.3
72.47977	0.3
72.48440	0.3
72.99313	0.5
73.02949	10.8
75.00874	0.6
76.02306	0.3
83.01385	6.9
83.15331	0.3
85.02950	16.8
86.00124	0.6
87.00867	0.7
89.02439	2.5
92.11672	0.6
95.01360	3.0
97.02963	0.5
99.00881	4.3
101.02438	22.6
111.00881	0.4
113.02440	13.5
121.23007	0.3
125.02410	0.6
143.03531	0.8
158.99161	0.3
159.03026	3.4
161.04562	15.0
187.71896	0.4
236.21233	0.4
271.17004	0.4
273.18625	91.7
274.18881	2.4
435.23929	100.0
436.24350	4.0
479.22632	0.6
487.42715	0.4
597.29413	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	657.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39500	0.3
59.01383	100.0
59.42004	0.3
65.18682	0.3
66.37182	0.3
71.01385	0.4
75.48293	0.3
78.95915	1.3
89.67760	0.3
96.99283	0.4
141.01697	40.8
152.99617	0.5
275.06369	0.4
279.23312	3.5
297.40778	0.4
361.23672	0.6
393.21185	0.4
537.29956	1.5
544.30420	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82014	0.4
57.03242	0.4
57.03457	6.7
66.22220	0.3
69.03431	0.5
76.66534	0.3
81.03461	4.0
83.01379	4.7
93.03463	2.9
95.01372	1.9
95.05018	3.7
97.02956	3.8
98.60260	0.3
107.05009	0.5
109.02940	15.7
111.04510	7.1
113.06076	0.6
121.02944	3.0
123.00858	4.7
123.04510	1.7
124.01668	3.7
125.02430	92.7
126.02718	0.8
131.05013	0.4
133.02928	0.8
133.06570	0.4
135.04520	1.9
137.02434	28.6
138.03162	2.1
139.04002	21.8
147.04536	0.7
149.02440	0.9
149.06058	1.9
151.04031	2.4
153.01913	3.7
155.03508	0.4
158.03693	0.4
159.04488	1.9
161.02411	3.7
162.03226	0.6
164.01154	6.4
165.01918	19.6
166.02689	2.0
167.03484	23.5
173.06084	1.5
175.04066	2.7
175.07643	0.5
176.04730	0.5
176.65755	0.4
177.01886	1.8
177.05518	5.2
178.02701	0.6
179.03477	16.3
181.05000	0.6
184.39563	0.3
189.05551	0.5
191.07109	2.6
201.05582	2.0
203.03468	4.5
204.04294	3.8
215.07071	0.5
218.05876	0.9
219.06621	15.3
221.04527	6.4
223.64969	0.3
233.08154	0.8
237.07642	0.8
243.06792	0.6
245.04575	0.8
261.07687	4.7
263.05521	0.4
287.05667	0.9
292.37686	0.4
305.06689	100.0
306.07040	2.0
311.21979	0.4
407.24969	0.4
673.29181	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62609	0.3
57.03463	6.0
59.01383	0.7
67.01908	0.4
69.03446	1.4
71.01380	0.6
73.31914	0.3
73.87112	0.3
74.02456	0.5
77.03962	0.4
80.02682	0.4
81.03459	3.3
83.01385	3.8
83.05029	0.4
89.02456	0.4
93.03455	2.3
94.33315	0.3
95.01385	1.9
95.05029	3.7
97.02941	4.2
99.04507	0.5
107.04999	1.1
109.02952	15.7
111.04520	4.4
116.05074	2.9
120.99616	0.4
121.02941	2.8
123.00875	6.1
123.04519	1.8
124.01668	4.0
125.02440	89.2
126.02766	0.4
133.02992	0.4
133.06638	0.6
135.04529	1.3
137.02448	26.6
138.03183	1.8
139.04024	22.6
147.04533	0.7
149.02463	0.8
149.06073	2.0
151.00406	0.4
151.03998	2.7
153.01950	4.5
155.03502	0.4
157.07680	0.5
159.04472	1.4
161.02441	2.4
162.03200	1.4
164.01163	7.5
165.01936	20.4
166.02692	1.6
167.03499	23.4
171.09311	0.7
173.06131	1.4
175.04033	2.5
175.07544	0.3
176.04721	0.4
177.01950	1.9
177.05580	4.9
178.02623	0.6
179.01917	0.6
179.03503	16.0
181.05075	0.7
183.09230	0.6
189.05550	0.7
189.07111	0.4
191.03542	0.4
191.07158	2.2
193.05057	0.4
201.05597	1.9
203.03499	3.7
204.04254	3.6
215.07144	0.5
218.05786	0.7
219.06628	14.3
219.08609	0.7
220.07027	0.4
221.04550	6.5
233.08220	0.7
237.07706	1.1
243.06566	1.4
243.11415	0.4
245.04665	0.4
245.09282	0.4
247.02231	0.4
261.07544	4.5
261.12411	0.7
263.05527	0.5
287.05615	0.5
305.06683	100.0
306.07068	2.1
306.45789	0.3
314.50766	0.3
505.01318	0.4
618.13519	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.58236	0.2
67.76846	0.3
73.74747	0.2
92.12341	0.4
96.25006	0.2
109.92249	0.2
127.84074	0.2
141.01706	44.3
281.24875	2.7
363.25427	1.2
395.23260	0.4
399.93091	0.3
518.00079	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43822	0.1
51.34158	0.1
52.43541	0.1
54.59100	0.1
56.24604	0.1
59.01389	100.0
60.01719	0.2
66.12112	0.2
82.95415	0.2
82.96532	0.1
107.48502	0.2
113.00885	0.2
141.01707	45.3
142.01999	0.3
196.82802	0.2
275.06403	0.6
281.24899	2.4
363.25156	1.2
395.22644	0.6
539.30792	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55530	0.2
54.82536	0.3
55.65049	0.3
57.01410	0.3
59.01381	1.9
72.86078	0.3
117.03460	31.4
119.04988	0.5
121.02939	4.7
123.04527	1.8
133.02979	1.7
145.02959	100.0
146.03300	2.2
162.03284	2.4
166.75081	0.4
304.17426	0.4
315.21774	0.4
453.33664	2.2
615.40607	1.6
655.93036	0.5
659.39630	76.5
660.39984	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	659.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	12.3
59.52859	1.3
59.58173	1.3
80.62924	1.6
138.94420	1.7
145.02911	3.8
198.39554	1.6
271.02512	1.9
277.21738	100.0
278.22003	2.3
359.22092	32.3
459.97766	1.7
577.42444	38.5
596.07336	1.9
659.38721	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	660.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00139	0.6
56.76991	0.7
59.01392	100.0
60.19920	0.6
61.98821	0.8
65.80430	0.7
66.11964	0.7
72.04465	0.6
73.55447	0.7
78.95915	1.7
119.83893	0.8
132.24025	0.7
139.85892	0.7
141.01701	44.9
152.99634	1.1
161.88007	0.7
193.41025	0.7
276.59775	0.7
279.23334	5.1
324.12161	0.8
504.31052	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	661.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.5
59.24271	0.2
71.01385	15.2
72.00903	0.3
72.99291	2.0
87.00885	0.5
88.98782	0.2
89.02436	2.1
91.05534	0.3
91.37469	0.2
92.11694	0.4
94.47137	0.2
96.95993	0.3
99.00869	0.3
101.02375	0.3
109.01689	3.0
110.02450	1.0
115.00378	41.3
116.00771	0.3
116.03609	0.2
116.05055	0.2
119.05026	35.8
122.06119	0.2
129.10344	1.4
133.01431	100.0
134.01762	0.5
147.04507	1.4
163.04015	30.1
164.07173	2.6
176.07188	0.5
203.08330	1.0
244.06157	1.9
262.07260	1.4
277.15637	1.6
278.15881	1.3
279.05112	5.0
280.08249	1.0
283.07306	0.5
301.08392	0.6
319.09567	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83884	0.1
55.01876	0.6
57.03440	0.3
58.00599	0.6
59.01384	25.2
69.71732	0.1
71.01379	12.0
72.00883	0.2
72.99300	1.0
73.02938	1.2
83.01369	1.0
84.81152	0.1
85.02946	3.0
85.06586	9.7
87.00878	0.8
89.02439	14.5
95.01354	0.8
99.00882	0.8
100.00407	2.3
101.02434	10.6
113.02442	6.0
113.06087	2.5
115.07628	1.6
119.02666	0.3
119.03487	6.4
119.05318	0.6
124.36787	0.2
127.05132	0.7
127.07639	1.3
127.86311	0.2
128.03529	0.8
131.07133	50.7
132.07401	0.3
143.03510	0.6
144.03023	0.7
145.06174	0.3
148.06297	2.3
149.04597	0.2
150.03241	0.6
161.04546	0.2
164.07207	0.2
165.01961	0.2
165.05515	0.2
172.05331	0.3
173.08195	1.2
178.84293	0.2
179.05553	0.8
180.04282	0.2
187.07558	0.2
189.06044	0.2
195.06596	0.7
199.60851	0.2
249.07745	0.6
257.96381	0.2
293.12457	100.0
294.12802	2.0
320.64465	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
56.70039	0.9
58.00591	1.2
59.01385	71.1
62.26311	1.2
69.65054	1.1
71.01379	49.4
72.99300	2.4
73.02927	1.2
78.95892	7.1
80.96490	1.8
83.01360	2.3
85.02951	8.4
87.00874	8.2
89.02434	54.0
92.12395	4.4
95.01371	2.4
101.02436	22.9
113.02440	18.2
116.92819	1.7
119.03486	18.5
125.02431	1.4
131.03496	1.4
143.03482	5.5
149.04536	1.6
152.99620	2.9
153.30598	1.2
161.04498	6.0
171.00520	1.5
179.05615	15.8
230.24644	1.3
264.42969	1.3
269.20279	1.2
277.21725	100.0
278.22046	2.3
291.23383	2.6
305.12988	1.3
319.22543	5.1
323.09766	18.2
341.10913	45.8
411.21591	1.4
444.66916	1.4
495.79132	1.3
579.28723	2.6
593.64801	1.4
601.32440	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	661.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82997	1.4
57.03450	1.9
58.00587	1.8
59.01108	2.7
59.01386	49.0
69.03468	1.4
71.01384	49.4
72.99316	2.5
73.02935	12.1
74.51404	1.4
74.74099	1.4
78.49225	1.3
78.95916	2.8
80.96518	6.3
83.01388	8.6
85.02952	14.5
87.00878	52.5
87.01395	2.3
89.02450	35.8
95.01394	2.0
101.02444	28.0
111.00880	2.1
113.02458	34.2
119.03512	9.3
131.03575	1.5
141.01913	1.8
143.03506	3.4
148.21895	1.6
152.77080	1.5
152.98512	1.6
152.99631	2.7
161.04567	7.7
167.33107	1.5
171.79842	1.7
179.05621	9.0
194.76657	1.4
273.22324	7.1
277.21729	100.0
277.24786	3.6
278.22144	3.3
291.23349	20.3
301.21982	1.6
319.22769	13.5
323.09851	31.1
331.76559	1.5
341.10922	59.6
579.28479	9.8
601.32367	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	663.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.9
59.01390	2.3
60.65036	0.6
61.98807	0.9
74.54385	0.7
96.05060	0.6
107.43859	0.7
125.47027	0.8
126.31102	0.7
150.06862	1.0
153.99281	0.7
155.62062	0.8
158.24667	0.8
160.50591	0.8
183.34151	0.9
210.49248	0.8
619.37561	3.1
633.36444	1.4
659.14954	0.8
663.31378	100.0
664.31567	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	663.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63516	2.5
58.17356	2.0
59.01390	4.6
61.98822	3.1
63.61192	2.2
68.72692	2.8
74.74160	2.2
76.42265	2.5
82.58198	2.4
92.11715	3.0
101.27132	2.7
110.64663	2.9
167.47108	2.8
500.25208	3.9
501.32208	11.8
627.34094	5.3
663.31329	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	663.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37511	1.0
57.03427	1.2
58.00593	1.6
59.01384	33.3
61.98815	0.9
69.03407	1.1
71.01380	38.0
72.99300	4.5
73.02946	12.6
78.95895	1.9
80.96526	5.3
83.01387	7.7
85.02946	14.5
86.40363	1.1
87.00870	38.7
89.02436	33.2
95.01420	1.7
97.11530	1.0
99.00864	1.7
101.02430	21.3
111.00878	1.2
113.02436	29.9
119.03458	8.7
125.02438	1.3
131.03534	1.8
143.03473	2.2
152.99605	2.6
161.04594	7.6
179.05656	8.3
219.44948	1.1
225.00758	2.4
225.36272	1.0
229.15123	1.1
255.23334	6.5
275.23795	2.4
279.23297	100.0
280.23648	2.2
293.24872	23.3
303.23254	1.2
314.27264	1.4
321.24326	11.1
323.09891	24.1
341.10889	44.9
455.08823	1.2
483.27643	2.4
581.29999	7.6
603.33722	17.5
604.34735	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	663.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.0
58.00605	0.6
59.01384	49.6
62.22746	0.7
64.34506	0.8
69.82471	0.6
70.27875	0.7
71.00983	1.4
71.01379	41.0
71.36936	0.8
72.99308	3.3
73.02944	1.5
77.44098	0.8
78.95911	3.1
78.98598	0.9
80.96511	12.7
81.98515	0.7
83.01392	1.6
85.02946	7.6
87.00874	5.9
89.02435	41.1
93.60078	0.7
94.98066	3.5
95.01374	1.4
96.63973	0.7
101.02435	18.2
113.02451	15.9
114.39104	0.8
119.03497	14.6
122.97567	0.8
125.02400	1.3
131.03473	1.8
143.03502	3.8
152.98518	1.2
152.99594	3.5
156.57419	0.8
161.04533	4.1
164.98650	1.6
179.05620	10.9
225.00763	5.7
255.23259	5.6
272.82013	0.7
279.23288	100.0
280.23642	4.4
281.24826	0.9
293.24814	3.1
299.04532	1.2
321.24283	3.2
323.09897	17.5
341.10861	37.5
341.15002	1.3
342.11392	1.2
457.49091	1.0
483.27402	1.4
581.30054	22.1
582.30231	1.3
603.34082	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	663.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37594	0.2
59.01385	1.9
67.09134	0.1
71.01382	1.2
73.02937	0.4
83.01360	0.2
85.02942	0.8
89.02439	0.2
101.02427	1.0
106.28500	0.2
113.02443	0.3
119.37282	0.2
135.35901	0.2
188.50925	0.2
223.40906	0.2
242.90210	0.2
260.12744	0.2
455.31793	0.3
457.33231	1.8
464.00616	0.2
501.32272	1.0
617.36810	0.3
619.38605	7.5
663.37622	100.0
664.38007	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	663.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.4
58.00573	0.7
59.01389	26.1
59.01672	1.0
61.98806	0.5
66.30149	0.3
71.01382	12.5
73.02906	0.8
85.02914	2.9
89.02442	15.5
95.01406	0.5
96.95959	0.6
101.02435	7.1
113.02457	5.2
119.03483	5.7
123.54884	0.5
143.03511	0.5
164.13078	0.5
179.05548	1.1
222.37468	0.5
322.90869	0.4
330.03204	0.5
409.31619	0.5
455.31674	0.5
457.33398	8.2
458.33865	0.5
501.32312	100.0
502.32693	6.0
515.33600	1.0
543.33374	4.2
603.33850	0.6
663.37689	70.6
664.37769	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	663.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17271	0.2
55.01870	0.3
57.03456	0.2
58.00595	1.2
59.01388	21.0
60.04551	0.2
71.01385	9.2
72.99305	1.0
73.02942	0.3
82.98533	0.2
83.01392	0.3
85.02954	2.6
87.00867	0.3
87.04504	0.9
89.02442	9.8
92.12331	0.2
95.01379	0.9
97.41131	0.2
101.02445	3.9
113.02443	5.4
113.03159	0.3
119.03484	3.4
131.03468	0.2
159.78943	0.2
161.04582	0.3
167.03432	0.2
179.05624	1.1
183.84772	0.2
189.94835	0.2
209.15636	0.2
229.18936	0.2
328.23419	0.2
387.90546	0.2
451.28513	0.3
455.31995	0.9
457.33310	7.6
458.33771	0.3
481.29794	1.0
483.31866	0.2
496.68115	0.2
501.32324	100.0
502.32578	4.3
515.33777	5.0
543.33356	17.7
544.33771	0.5
603.35883	0.2
663.37646	60.7
664.38031	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	664.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83945	0.6
58.49068	0.7
60.58901	0.6
61.31433	0.6
64.93305	0.6
69.00951	8.8
70.03004	7.1
71.01356	0.8
80.05075	1.1
82.01737	1.3
82.02984	8.3
82.06604	0.7
84.04530	3.0
86.95776	0.7
87.05645	1.0
91.05540	1.3
93.03465	5.1
94.06618	1.5
96.00916	17.1
98.01184	1.4
98.02466	3.3
99.00883	4.1
99.01998	0.7
100.07656	1.6
102.77196	0.7
109.01133	0.7
109.01694	28.2
109.04058	7.2
110.02481	39.3
111.02016	9.5
112.04026	0.9
113.03567	5.0
116.05045	10.9
118.06638	6.1
119.05013	14.8
122.02428	0.8
123.04532	0.8
124.02800	1.2
125.03585	1.7
127.05129	18.9
133.02991	1.0
133.05360	3.4
134.06111	5.4
136.11313	3.5
138.09204	0.8
139.08797	1.4
140.07172	26.7
146.06094	1.5
151.08745	5.6
153.06725	1.4
155.08289	3.3
161.07219	19.3
163.04036	4.7
163.07671	0.9
165.07892	1.0
168.80196	0.7
171.05556	5.1
171.09358	1.8
172.07716	1.1
173.07224	3.1
179.11949	6.0
180.06625	5.8
180.10289	16.2
184.06413	9.0
186.05553	6.2
187.05135	13.5
189.06712	5.1
190.08751	4.3
191.08530	1.1
195.07841	3.0
195.11421	6.7
197.13031	1.4
198.06731	8.5
199.07541	1.4
200.07114	0.9
207.11505	2.7
213.14020	1.7
214.12354	0.7
215.08276	4.1
216.06677	4.8
220.10956	4.5
222.12497	19.2
223.10899	38.5
226.06265	7.7
231.07860	1.3
231.15007	0.9
234.07671	1.1
239.11935	1.8
240.13551	4.1
241.13560	3.5
256.14566	35.1
257.13055	3.6
258.08783	1.0
260.05630	12.8
277.08298	0.9
281.16635	1.2
301.14490	0.8
306.11472	1.1
310.10739	12.0
324.17242	4.5
342.18228	0.9
361.12051	1.2
367.17776	100.0
368.18118	4.7
385.18851	72.2
386.19269	3.4
405.10968	1.1
409.38605	0.7
456.02496	0.8
483.18832	1.3
602.26550	1.2
646.25275	95.2
647.25262	7.8
664.26343	30.0
664.37402	1.6
665.26782	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	664.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41166	0.5
56.32116	0.6
56.98519	0.5
57.96006	0.6
59.01382	1.3
59.23252	0.7
61.98821	3.1
67.03015	0.7
70.02959	0.8
71.01374	1.5
72.00895	3.2
73.04079	0.7
74.02499	0.9
77.74249	0.6
82.02996	6.9
82.51496	0.7
83.02495	0.7
83.30715	0.7
84.04546	1.1
85.04075	0.9
89.02425	0.6
92.11668	1.1
93.03441	1.5
98.02500	0.7
99.01986	4.1
101.07198	6.1
106.04238	0.8
107.02502	1.0
109.04061	16.2
111.02018	3.7
111.05640	0.8
112.04032	2.7
113.07203	5.9
116.05051	3.4
117.03441	0.9
117.69770	0.7
118.06599	4.0
119.05020	19.4
120.04533	0.7
123.05662	0.8
124.04015	1.2
125.03545	1.0
126.01990	0.7
127.05128	68.3
128.03531	41.4
129.10283	2.5
133.05339	3.3
134.06133	5.4
137.03583	0.8
138.04301	0.7
139.05132	2.4
141.06691	7.1
144.79427	0.6
153.02989	0.8
153.06619	0.8
158.06181	0.9
160.04056	0.7
162.05644	1.1
163.04025	6.6
167.04614	1.1
180.06670	17.4
184.07657	0.7
185.05649	5.1
186.09256	1.0
187.05177	7.3
201.06602	0.9
209.12950	0.9
212.07236	3.4
215.11923	3.7
221.12987	2.8
226.15582	1.5
227.13881	1.0
229.09694	1.1
230.08220	2.9
247.10909	13.4
254.09375	1.0
255.07658	0.9
273.08670	0.8
284.35770	0.8
291.09900	100.0
292.10098	0.8
309.10992	1.4
310.19449	0.9
354.18375	4.6
419.12643	1.5
425.46954	0.7
436.15033	1.3
454.16159	2.9
500.22983	0.8
567.93250	0.8
568.70398	0.7
621.85352	0.8
646.29108	1.4
664.29901	40.0
665.30103	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	665.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82416	0.2
57.58045	0.2
59.01384	0.3
71.01382	13.2
72.99309	2.2
87.00859	0.3
89.02430	1.8
92.11828	0.3
104.26450	0.2
115.00372	36.2
119.05023	33.6
119.05920	0.3
120.05389	0.2
129.94016	0.2
133.01430	100.0
134.01749	0.9
159.51872	0.2
163.04021	34.6
164.04344	0.5
229.76003	0.2
234.33678	0.2
279.05121	4.7
279.23422	0.2
323.24448	0.2
370.69186	0.2
518.66248	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11589	0.2
57.03455	0.6
58.00606	1.1
59.01386	57.1
60.01715	0.2
65.79859	0.3
71.01382	26.4
72.99318	2.2
73.02937	0.5
74.02453	0.3
79.40166	0.3
83.01386	1.5
85.02959	5.0
87.00880	1.1
89.02441	37.1
92.12406	0.9
95.01404	2.4
96.95993	0.6
99.00853	0.3
99.08130	0.5
101.02441	21.9
113.02444	12.0
119.03492	16.6
125.02441	1.4
130.08769	0.3
131.03496	0.6
135.04556	1.0
137.02431	0.3
143.03456	1.0
143.07153	0.3
143.39900	0.3
149.04541	1.3
161.02486	0.5
161.04594	0.6
161.08224	0.6
163.00348	0.5
165.05650	0.4
179.03496	0.7
179.05602	1.8
197.84497	0.3
210.27815	0.4
289.07111	0.3
323.13513	100.0
324.13779	3.4
362.79434	0.3
407.08060	0.4
427.80688	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	1.7
59.01106	2.5
59.01385	55.0
59.49337	1.2
63.44436	1.4
71.01381	37.6
72.99293	3.3
73.02913	1.7
73.05772	1.4
76.57352	1.3
83.01386	2.5
85.02940	7.0
86.96154	1.4
87.00837	3.6
89.02435	43.1
98.18237	1.3
101.02438	21.0
113.02436	19.4
119.03487	16.1
130.27107	1.4
143.03517	2.6
152.75412	2.0
154.43015	1.5
158.51558	1.6
161.04510	2.1
179.05583	12.1
258.20874	1.5
281.24875	100.0
282.25143	7.0
295.26376	5.4
323.09802	21.3
341.10895	36.5
342.10764	1.7
441.09406	1.7
605.35596	24.2
606.35291	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	665.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66336	1.1
57.56189	1.2
59.01109	2.4
59.01387	45.4
68.59680	1.2
69.03451	1.2
71.01379	34.8
72.99315	2.5
73.02928	5.7
78.22313	1.1
83.01385	9.1
85.02966	10.0
87.00874	39.8
89.02438	29.3
92.12373	2.3
95.01395	1.9
101.01826	2.3
101.02428	23.8
113.02449	20.8
119.03489	8.2
129.01933	1.9
131.03514	1.9
141.01736	2.7
143.03506	4.9
152.11461	1.2
161.04533	5.0
179.05592	6.9
265.25156	1.6
281.24878	100.0
282.25180	5.7
293.24866	1.8
295.26483	39.2
296.26697	1.7
323.09894	28.0
323.25928	10.3
341.10938	43.6
384.79495	1.4
454.19547	1.5
600.44836	1.5
605.35651	25.6
606.35480	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	665.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84054	0.1
55.01879	1.0
55.73581	0.1
57.03449	0.3
58.00598	0.2
59.00404	0.1
59.01387	7.6
61.98833	0.2
62.45395	0.1
62.79390	0.1
71.01387	5.1
72.99289	0.7
73.02941	2.0
83.01379	1.5
85.02947	3.0
86.00092	0.3
87.00843	0.2
89.02433	1.0
95.01362	0.3
96.96035	0.2
99.00869	0.7
101.02440	4.0
101.75908	0.1
113.02457	1.6
133.89235	0.2
150.06796	1.1
163.07599	0.1
176.48058	0.2
191.20454	0.2
290.18927	0.2
290.52823	0.2
305.21298	0.3
393.27969	0.2
394.49768	0.2
425.30994	0.2
427.32220	0.3
437.30511	0.2
503.33893	7.9
504.34412	0.4
665.39191	100.0
666.39514	6.4
666.50415	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36740	0.5
54.75512	0.5
55.01877	1.0
59.01156	0.5
59.01389	9.3
61.98821	2.7
66.47280	0.5
69.00930	2.8
70.02973	1.3
71.01377	5.9
72.99290	0.7
73.02938	2.2
78.95833	0.6
82.02984	1.3
83.01389	2.3
85.02939	3.7
87.00790	0.5
89.02432	1.0
93.03433	0.7
96.00934	4.7
96.96013	0.9
97.01228	0.7
98.01186	0.6
98.02473	0.7
99.00879	2.7
101.02431	6.4
109.01697	9.8
109.04075	1.3
110.02512	10.3
111.02090	1.6
111.02765	1.1
113.02423	2.3
113.03574	0.8
116.05045	2.9
117.05383	1.2
118.06602	2.3
119.05069	4.2
124.04027	0.6
125.02412	0.6
127.05125	6.3
128.05534	1.0
133.05339	0.6
134.06075	0.8
140.07166	5.8
149.07234	0.6
151.08743	1.1
160.04034	0.6
161.07196	4.3
163.03934	0.9
171.05638	1.0
180.06712	1.0
180.10355	4.3
180.11990	0.7
181.10533	0.9
184.06421	1.4
185.06862	1.0
186.05568	0.7
187.05147	3.0
188.05486	0.8
195.11374	0.8
198.06679	1.4
199.07153	0.8
215.08244	0.7
216.06607	1.0
222.12512	3.8
223.10863	9.0
223.12830	1.5
224.11275	4.1
226.06239	1.0
256.14526	7.1
257.14905	4.2
260.05624	2.3
261.06128	0.7
310.10703	2.5
311.11078	2.8
367.17780	15.0
368.18118	18.8
369.18469	0.7
385.18799	7.7
386.19159	12.3
387.19537	0.7
390.46240	0.7
503.33905	9.2
647.25598	25.8
648.25439	1.1
665.27472	7.7
665.39117	100.0
666.39307	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	665.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.8
57.27555	1.2
59.01384	12.6
69.03785	1.2
71.01394	7.7
73.02947	2.2
81.55869	1.0
83.01387	1.2
85.02950	4.8
87.46855	1.1
87.56469	1.1
89.02398	1.1
95.68807	1.2
96.96004	2.5
101.02435	6.1
105.52262	1.1
113.02460	1.7
119.03493	1.1
137.97517	1.0
147.33905	1.0
150.06908	1.3
163.07785	1.1
179.10722	1.2
221.72067	1.2
299.23166	1.1
503.33844	11.0
665.39215	100.0
666.39771	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	665.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
57.03440	0.4
59.01387	5.3
61.98826	0.2
65.45631	0.2
69.97040	0.2
71.01382	4.2
73.02935	2.4
83.01390	1.8
85.02957	3.4
89.02444	0.9
89.37712	0.2
94.88318	0.3
95.01340	0.4
99.00863	0.4
101.02448	5.7
113.02459	1.9
119.03561	0.3
127.66659	0.2
135.15121	0.2
183.54764	0.2
224.84767	0.2
319.96225	0.2
403.32736	0.2
605.65460	0.2
618.70886	0.3
656.35211	0.2
665.39185	100.0
666.39532	6.6
666.50415	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03241	0.7
57.03456	9.4
58.99606	14.3
59.01385	7.6
61.98851	0.8
71.01367	6.5
78.95866	0.8
81.03419	1.4
82.10342	0.9
83.05036	7.8
83.05433	0.8
85.02946	5.2
89.02441	1.7
101.02422	4.0
113.85101	0.9
123.03754	0.9
128.07166	85.0
146.45857	1.1
154.73477	0.9
213.07840	1.0
227.10931	1.3
228.07947	1.6
243.10165	9.8
243.17162	4.1
255.06764	1.4
256.07425	34.4
267.06570	13.7
271.09769	100.0
272.10132	1.9
281.76376	1.0
282.08929	13.3
290.12457	16.9
297.11404	6.7
331.10226	8.7
334.11078	1.2
368.10226	54.9
369.10544	1.4
565.18701	1.1
611.35956	1.0
637.48395	1.0
665.39606	1.6
666.22382	55.3
666.38623	4.3
666.47974	13.0
667.22687	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	667.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	19.6
61.28431	1.8
65.30097	1.9
68.99809	2.1
69.03481	2.7
71.01387	16.3
73.02942	2.1
85.02939	3.0
87.00864	3.3
89.02435	14.1
96.96000	30.5
101.02427	4.4
108.02165	3.4
109.02959	4.1
121.02913	2.4
123.04504	3.2
124.97691	2.0
134.15855	2.1
147.04538	8.8
148.05305	2.4
150.03212	8.9
159.04480	10.1
160.05296	29.5
161.06091	18.1
162.03217	8.3
162.06790	2.3
163.04021	11.1
164.04797	2.7
173.06035	3.4
175.07678	28.5
177.05591	12.0
178.02666	4.8
178.06337	8.6
193.05070	5.2
215.09377	2.7
269.07990	3.1
284.10675	3.8
299.12766	4.9
329.13998	27.1
355.11816	3.6
367.11887	2.3
370.28589	2.3
373.12866	2.4
432.80435	2.1
511.43399	2.8
637.22015	3.5
649.21570	11.4
667.22510	100.0
668.22900	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	667.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28961	0.4
55.01877	0.6
55.03085	0.5
57.03442	0.7
58.00581	0.6
58.02974	2.1
59.01385	28.1
61.98832	2.2
64.87455	0.5
71.01381	16.8
72.99290	1.0
73.02946	6.0
83.01379	0.9
85.02944	4.1
85.68198	0.5
87.00878	3.1
89.02434	12.2
95.01391	0.6
96.96014	1.2
99.14869	0.5
100.99088	0.6
101.02428	9.7
103.04009	2.9
113.02460	4.9
113.06081	0.6
114.05575	0.6
114.37830	0.5
115.04012	1.0
119.03508	4.3
119.05022	0.8
122.50334	0.5
125.02472	0.6
131.03416	2.2
132.39395	0.6
133.01527	0.7
133.05040	0.8
143.03513	3.0
145.05078	0.6
151.03993	2.5
161.04552	4.1
163.06122	3.5
164.07127	1.0
179.03491	8.8
179.05576	1.2
181.04865	1.2
194.05856	17.0
205.07161	3.2
206.08253	0.6
209.08208	100.0
235.08218	0.7
261.12360	1.2
282.14127	0.7
445.17197	55.8
446.17984	1.0
607.22345	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05279	0.2
55.01869	0.7
56.74285	0.1
57.03192	0.2
57.03462	6.6
59.01390	2.7
59.55186	0.2
65.03965	1.8
66.39735	0.1
69.03463	0.7
71.05014	0.7
73.02971	0.2
73.72500	0.1
81.03469	0.3
81.07104	0.3
83.05034	7.4
85.02966	0.7
85.06533	0.2
87.00885	8.4
93.03449	0.9
95.01405	0.2
95.05018	1.8
96.02197	0.2
97.02927	0.3
97.06526	0.2
98.03685	0.2
99.04507	0.3
100.00362	0.2
101.06081	0.3
109.02917	0.2
109.06609	0.6
110.01093	0.2
111.04526	3.3
111.08152	2.2
113.06058	0.7
119.04972	0.7
119.08653	1.3
121.06586	3.9
121.10186	0.2
122.03754	0.3
123.08162	19.5
124.05293	0.8
124.08533	0.2
125.09715	0.2
129.07086	0.8
129.48624	0.2
133.01463	0.3
133.06639	0.3
135.08124	0.9
137.06058	0.3
137.09734	2.4
138.06859	1.2
139.07669	3.3
143.08656	0.3
145.10223	3.0
147.08134	0.2
149.09772	0.3
151.07652	2.6
153.09195	2.4
155.08682	0.3
159.11781	0.4
160.08932	0.3
163.04004	0.8
163.11308	0.8
165.09322	0.2
169.08728	0.7
169.10231	2.8
171.11801	23.0
172.12109	0.3
172.82277	0.2
173.09604	0.3
175.11301	0.4
185.09705	0.4
189.12851	7.6
201.11008	0.3
201.12860	7.5
207.13931	5.3
219.13943	2.7
237.14978	21.3
263.12866	0.2
274.02179	0.2
281.13965	100.0
282.14307	2.7
390.19427	0.2
498.50195	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01104	0.2
58.02971	0.4
59.01374	0.5
61.94561	0.2
61.98834	2.8
62.10086	0.2
64.35305	0.2
89.02426	0.3
91.05524	40.7
92.05836	0.5
92.12430	0.2
93.03448	0.4
96.96007	1.0
112.85620	0.2
114.05630	0.2
130.08725	0.9
135.03532	0.4
135.04509	6.2
145.96315	0.2
151.04056	0.2
155.08189	0.3
163.04005	100.0
164.04370	1.2
164.07149	0.3
190.05109	11.9
206.08282	0.4
221.88799	0.2
261.12512	1.0
264.94339	0.2
286.17746	0.3
287.17975	0.4
383.21851	0.3
408.83694	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
57.03448	0.6
58.00600	2.3
59.01384	61.6
69.02784	0.6
69.03457	3.8
71.01379	49.2
72.99311	1.2
73.02943	16.1
75.00876	0.8
81.03452	2.3
83.01382	2.8
85.02948	5.7
87.00898	1.0
89.02438	81.1
93.03432	3.0
95.01376	0.8
95.05078	0.6
96.88074	0.6
97.02943	5.4
99.00871	24.1
101.02436	20.8
111.00881	0.7
113.02432	5.0
113.77389	0.5
115.03982	4.5
119.03490	0.8
121.02958	4.9
122.03729	12.6
122.72768	0.5
123.04486	1.0
125.02428	18.3
131.03497	9.1
133.02969	2.3
136.01627	0.6
137.96513	0.6
143.03546	2.7
145.02960	0.7
149.02452	26.8
149.04532	29.6
150.03223	100.0
151.03793	0.8
161.02524	0.6
161.04515	2.7
162.03239	2.2
164.04788	8.0
165.05560	69.8
166.05937	0.6
179.07150	1.0
180.04305	6.5
191.05609	9.7
195.06624	15.1
221.06612	3.9
233.06654	11.6
251.07808	4.3
265.87433	0.5
278.91129	0.5
293.08792	22.8
311.09900	5.5
312.10147	2.9
327.12408	8.4
494.71454	0.6
527.17743	1.2
621.21979	29.3
622.22113	1.0
651.22400	1.3
669.24005	21.2
670.24005	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39209	0.9
58.02975	1.4
59.01381	6.7
63.88604	0.9
71.01347	1.2
73.27422	1.0
74.25481	0.9
80.41838	1.0
82.02979	6.4
84.83099	1.1
88.58385	0.9
94.96801	1.0
96.96003	1.2
109.04076	8.3
113.07220	14.0
125.07248	1.1
127.05139	19.2
127.08713	1.5
128.03586	1.6
132.07585	0.9
136.04140	1.1
137.02597	1.0
139.05132	1.3
139.08804	1.5
139.47462	1.2
153.06709	4.4
163.08772	1.3
171.07787	4.6
179.04599	5.8
187.64052	0.9
208.07680	1.2
220.10963	1.7
222.09200	1.3
234.09283	2.0
248.10847	2.2
249.10292	5.1
263.11862	4.7
273.10364	1.6
274.90390	1.2
275.11874	4.7
287.10721	1.7
288.11313	2.2
290.13058	4.8
294.10220	3.9
300.11493	1.7
344.17767	2.2
348.17245	4.7
354.16275	1.8
356.17755	4.2
371.18805	7.6
389.19833	5.1
399.18338	1.6
400.16638	5.1
415.17578	1.4
443.17612	1.3
453.22891	4.9
467.20947	4.9
470.25635	6.1
482.21921	6.0
507.33133	1.7
514.24469	2.2
526.21362	1.2
581.28906	2.4
625.27856	28.0
669.26868	100.0
670.27283	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	669.35
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04568	0.2
55.01885	0.5
57.03186	0.3
57.03451	6.4
59.01385	3.1
65.03965	1.4
69.03443	0.4
71.01370	1.0
71.05020	0.7
73.02917	0.2
74.17653	0.2
76.56457	0.2
81.03452	0.2
83.05022	6.5
85.02949	0.3
85.06596	0.3
87.00867	8.7
89.02443	0.9
92.11771	0.2
93.03444	1.2
95.01334	0.3
95.05019	2.5
96.96017	0.8
97.02908	0.4
97.06552	0.2
98.03709	0.3
101.02433	0.4
101.06094	0.4
105.07070	0.2
107.04994	0.2
109.01686	0.8
109.02959	0.3
109.06571	0.8
111.04517	3.5
111.08150	2.5
113.06065	0.7
115.00362	1.1
116.92862	0.4
116.97224	0.2
119.04985	0.7
119.08667	1.6
120.01245	1.0
121.06586	4.1
122.03725	0.3
123.08150	18.6
124.05273	1.3
124.08505	0.3
125.02460	0.2
125.09711	0.4
129.07071	0.4
133.01407	1.5
133.06570	0.4
134.01785	0.3
135.08150	1.2
137.06091	0.9
137.09703	3.2
138.06865	1.5
139.07635	3.5
139.19579	0.2
143.08679	0.4
145.06601	0.3
145.10231	2.5
147.04497	0.2
147.08257	0.2
149.09747	0.7
151.07658	2.2
153.09230	2.1
155.08682	0.4
155.31934	0.2
159.11783	0.2
160.08952	0.2
161.09724	0.2
163.04018	0.9
163.11220	0.3
164.07176	1.1
165.09155	0.4
169.08685	1.4
169.10229	2.5
171.11786	22.0
172.12158	0.8
175.11279	0.4
177.12816	0.2
185.09650	0.8
185.11247	0.2
189.12843	8.8
191.10715	0.2
193.05037	0.4
201.12872	7.6
207.13931	4.4
219.13885	3.6
237.14964	21.7
238.15323	0.8
244.06148	0.3
245.06601	0.2
262.07187	0.2
263.07230	0.2
280.08307	0.4
281.13950	100.0
282.14224	2.8
345.13062	0.2
376.90070	0.2
387.20297	1.2
491.05054	0.2
531.79004	0.2
645.37238	0.2
687.79761	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04086	0.7
59.01392	0.8
59.75197	0.7
130.30716	0.8
132.61456	0.8
137.26483	0.8
163.41393	0.9
188.37582	1.0
197.02231	6.3
220.98756	0.8
233.50589	0.9
313.64697	0.9
346.56375	0.8
386.75900	0.8
471.34872	100.0
472.35095	1.5
669.37817	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	671.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.7
56.97225	0.7
57.03447	4.4
58.00592	0.9
59.01109	1.5
59.01389	36.9
62.64442	0.7
69.03468	1.0
71.01386	30.3
72.99319	3.7
73.02948	15.5
75.00877	1.6
80.37682	0.7
83.01397	9.3
85.02955	16.0
87.00876	3.5
89.02444	15.0
93.03438	1.9
95.01385	4.3
96.96010	0.8
97.02959	1.1
99.00871	7.2
101.02443	28.0
103.00331	1.0
111.00918	1.1
113.02435	10.5
115.00353	1.5
115.04016	2.0
116.92889	1.4
119.03528	1.7
121.02935	6.8
122.03754	11.1
125.02454	3.6
131.03545	1.6
132.02185	1.1
133.01411	3.5
133.02959	9.1
134.03743	7.2
135.04565	1.1
136.01616	1.0
146.03758	1.8
147.04543	1.9
149.02448	40.5
149.06087	8.8
150.03230	97.9
161.06053	1.4
162.03305	1.3
164.04807	7.8
165.05573	61.2
166.06361	10.4
167.07155	5.9
177.05656	0.8
180.04350	4.4
181.08730	14.9
191.05475	0.9
195.06618	10.7
203.03238	0.9
294.17911	1.0
303.04822	1.0
314.11673	7.1
315.12442	1.9
329.13998	19.1
343.13971	14.2
357.15723	0.9
475.18259	35.4
476.18390	1.5
491.19333	20.0
505.20679	1.8
529.18921	6.3
559.91907	1.0
623.23553	100.0
624.24139	5.3
635.23584	6.5
653.24432	11.8
671.25476	21.4
672.25989	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17769	1.0
55.01873	5.7
57.03461	2.8
59.01387	59.0
68.88963	1.0
71.01382	44.3
72.99290	2.3
73.02947	21.1
75.00852	2.6
83.01405	10.6
83.01813	1.3
83.66347	1.0
85.02944	16.4
86.00081	1.1
87.00870	2.7
89.02441	21.5
95.01369	2.0
97.02925	4.4
99.00880	11.0
101.02439	31.2
111.00869	1.5
113.02444	9.1
115.00369	10.6
115.04068	1.4
116.92809	4.1
117.03446	1.5
121.02972	5.7
122.03719	6.6
125.02428	5.6
128.07179	7.4
129.07544	1.4
131.03474	4.7
132.02170	1.6
133.01416	16.7
133.02933	10.8
134.03734	31.0
137.02426	1.2
145.02832	1.6
146.03723	2.0
147.04500	2.6
149.02437	39.7
149.04553	1.5
149.06084	12.4
150.03226	43.2
164.04813	6.5
165.05588	28.2
166.06355	10.4
167.07098	5.5
177.05595	2.1
180.04308	2.4
181.08751	12.8
193.05070	31.9
195.06606	4.4
204.54761	1.3
205.03535	2.3
225.11333	19.9
277.79355	1.2
283.09750	1.2
314.11597	6.0
329.14038	23.3
343.14056	11.4
357.33243	1.3
369.10513	1.9
454.12228	1.3
475.18234	14.2
491.19232	24.7
505.21219	1.4
529.19037	5.3
613.90344	1.2
623.23523	100.0
624.24298	1.7
635.24231	5.8
637.46808	1.2
653.24622	8.8
661.14465	1.5
671.25720	28.2
671.35669	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	671.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
66.47118	1.3
78.95892	2.4
92.64804	1.8
115.08711	1.7
133.82509	1.7
255.23286	1.8
339.00848	2.4
442.86688	2.0
462.35281	2.0
530.65045	1.9
552.14752	1.7
561.08832	2.0
671.26874	100.0
672.27429	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	673.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15726	56.7
52.68032	46.6
69.87636	68.3
83.13023	51.5
83.44613	57.7
107.81346	47.4
108.88918	55.6
121.02953	100.0
203.38403	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3752
Annotation	Hymenocardine
Peak:m/z	Relative Intensity
50.85483	0.3
53.33226	0.3
55.63107	0.3
55.94857	0.4
59.01374	2.3
65.09325	0.3
65.27766	0.4
69.81805	0.4
70.44928	0.4
74.61962	0.3
78.95915	0.6
85.53156	0.3
88.23759	0.3
98.11715	0.3
103.19533	0.3
117.03468	29.7
119.04992	1.8
121.02934	4.9
123.04503	0.7
130.16531	0.4
133.02982	0.5
137.09766	0.6
145.02965	100.0
146.03296	0.9
148.27515	0.4
162.03232	2.2
187.71913	0.4
259.30490	0.4
278.91150	0.3
371.37097	0.4
379.43216	0.4
413.90176	0.4
533.46906	0.4
628.55060	0.5
629.38690	8.8
673.37567	57.3
674.37750	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	673.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.4
61.98830	1.0
108.15812	0.7
109.44673	0.6
111.73578	0.5
116.92750	0.6
117.03461	33.7
119.04990	1.0
121.02906	4.4
123.04510	1.1
133.02866	0.8
134.89482	2.6
145.02959	100.0
146.03322	0.7
160.72066	0.7
162.03192	1.6
338.50305	0.6
354.06677	0.7
533.36237	0.7
629.38556	34.3
630.39197	1.0
673.37646	24.0
674.38177	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46844	0.8
59.01389	1.7
61.74202	0.7
67.58619	0.9
74.55232	0.8
78.95900	62.7
88.61385	0.8
96.96949	12.5
103.63211	0.9
148.80995	0.9
152.99588	82.3
171.00652	1.9
223.00131	10.0
241.01193	19.9
277.21732	59.7
278.22211	1.4
295.82504	1.1
315.04962	7.6
333.05847	1.1
589.39978	1.2
593.27393	100.0
594.27802	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	675.359
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82301	0.7
54.82660	0.9
55.01885	1.4
56.37412	0.8
57.03445	2.1
59.01387	59.9
61.97842	0.8
61.98832	1.3
69.03452	1.3
71.00986	1.6
71.01383	40.5
72.99323	1.1
73.02943	7.1
73.05248	0.8
78.95909	4.3
83.01393	5.7
85.02945	8.2
87.00879	5.2
89.02445	31.2
89.02963	1.5
91.03950	1.1
95.01373	1.7
96.96958	1.3
97.02936	4.0
99.00877	0.9
101.02441	26.1
104.47247	0.8
113.02457	16.0
114.97433	0.8
119.03512	7.8
125.02438	10.0
130.07494	0.9
131.03596	1.1
142.57838	0.8
143.03488	3.6
147.47998	0.9
152.99588	6.8
161.04596	6.4
179.05620	4.1
221.06636	1.7
235.08188	8.6
253.09291	4.5
277.21741	100.0
278.21985	3.1
287.07794	1.5
305.08868	1.6
397.13538	72.7
415.14597	28.6
593.27063	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	675.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33751	0.5
55.01904	0.5
57.03437	0.5
58.00595	1.0
59.01385	53.0
59.50560	0.5
60.69747	0.4
61.98824	0.8
62.02701	0.4
71.01381	38.9
72.99293	1.4
73.02538	0.9
73.02943	15.0
83.01367	0.7
85.02935	5.6
87.00898	0.9
89.02438	76.6
95.01392	0.8
96.41325	0.5
97.02953	1.0
99.00873	25.1
101.01770	1.0
101.02434	24.7
101.46203	0.5
113.02432	9.6
119.03475	9.2
125.02438	2.7
131.03482	7.2
136.07710	0.5
143.03505	0.8
149.04543	15.7
161.04529	1.3
184.47852	0.6
191.05602	10.2
285.43854	0.6
314.02505	0.8
483.29797	1.3
484.31082	0.6
541.45282	0.6
577.17560	0.6
615.33929	100.0
616.34180	3.3
627.43750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01171	0.2
59.01387	2.2
76.57192	0.3
116.92841	0.3
117.03460	27.1
119.05009	0.3
119.96676	0.2
121.02950	4.5
123.04521	1.6
133.02957	1.1
134.03746	0.3
145.02954	100.0
146.03319	1.9
162.03221	2.4
240.21782	0.3
402.19296	0.3
423.32895	0.3
440.55759	0.3
459.87503	0.3
469.33276	1.3
518.24823	0.3
533.20856	0.3
546.40900	0.3
584.50708	0.3
615.36884	0.3
631.40082	2.0
675.39111	57.2
676.39398	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	675.39
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26805	0.7
59.01381	4.9
59.80943	0.8
63.35711	0.8
77.72923	0.8
78.95884	1.8
80.35329	0.8
89.52420	0.8
116.92848	1.5
132.02110	1.5
133.02954	36.5
134.03717	7.3
135.04578	1.0
137.02457	4.3
139.03989	1.5
161.02440	100.0
162.02826	1.4
178.02740	4.9
238.82480	1.0
245.94594	0.9
411.72934	0.9
452.56693	1.0
453.33820	1.2
509.68674	1.0
513.35815	15.0
521.38196	0.9
586.12329	0.9
631.39282	1.0
633.38141	2.0
675.39099	91.5
676.39459	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02688	0.1
53.60463	0.1
54.41415	0.1
59.01116	0.1
59.01391	3.7
65.68269	0.1
66.26721	0.1
67.44379	0.1
70.07790	0.1
77.82042	0.2
78.95883	0.6
91.88071	0.1
97.06544	0.2
106.81723	0.2
115.76377	0.2
116.92849	1.1
117.03450	26.5
117.92840	0.6
118.92659	0.3
119.05008	3.6
121.02934	4.7
123.04521	1.2
128.45856	0.2
133.02972	1.1
134.03705	0.4
137.09654	0.3
145.02951	100.0
146.03284	1.3
161.06085	1.9
162.03235	2.0
163.04034	1.3
187.04016	4.2
187.05623	0.2
193.16002	0.3
323.17993	0.2
363.83069	0.2
378.02814	0.2
425.34476	0.2
469.33005	0.2
487.34488	0.8
571.37976	1.8
589.39404	0.2
613.39044	9.3
631.40143	4.3
653.98279	0.2
675.39111	38.2
676.39136	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	677.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.0
61.98824	1.0
78.95900	65.1
81.07407	0.8
91.77613	1.1
96.96947	10.6
110.31377	0.9
111.24328	1.0
124.56812	0.9
125.02482	1.2
152.99591	90.9
171.00690	2.4
179.16724	1.2
185.89000	1.0
194.56813	1.0
195.00635	1.8
212.28622	1.0
223.00119	12.8
241.01224	24.7
256.47464	1.0
279.23315	77.1
280.23578	2.1
313.03369	1.0
315.04959	9.3
497.22821	1.2
595.28986	100.0
596.29083	2.4
613.43011	1.1
675.65125	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91032	0.4
59.01406	0.5
63.04633	0.5
64.33401	0.4
64.52612	0.4
71.48182	0.4
81.15253	0.4
89.02453	0.7
92.11678	0.5
102.66198	0.5
119.79848	0.4
199.55913	0.5
259.35770	0.5
280.92288	0.4
294.91614	0.5
315.15036	0.5
449.53256	0.5
568.60229	0.5
622.18140	0.5
641.31653	0.6
677.29492	100.0
678.29932	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	677.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83050	0.6
59.01360	3.4
62.11983	0.6
71.01370	0.8
76.60872	0.6
85.02911	0.7
92.11668	0.8
92.89618	0.6
96.28137	0.6
108.72568	0.7
182.18721	0.7
211.72322	0.8
225.07709	0.7
363.31760	0.7
408.88858	0.8
498.01202	0.9
542.26599	0.8
567.53790	0.8
641.32281	1.5
677.29022	100.0
678.29553	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	677.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80092	0.9
55.01890	1.9
56.17702	1.0
56.63927	0.9
57.03462	1.4
58.00598	1.5
59.01396	74.5
61.98828	7.0
69.03470	0.9
69.28159	1.0
71.01389	40.4
72.99295	4.3
73.02943	3.8
83.01382	5.7
84.08430	1.1
85.02951	17.2
87.00852	1.9
89.02441	36.7
95.01380	1.9
95.21958	1.0
99.00894	2.4
99.76021	1.0
101.02447	30.2
113.02448	14.8
119.03494	9.6
155.68269	1.0
497.27557	1.8
617.31421	7.2
677.34033	100.0
678.34222	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	677.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
57.03437	2.2
59.01387	60.3
60.10225	0.8
61.98816	2.1
67.79129	0.7
71.01381	29.6
72.99303	2.1
73.02939	1.7
73.97235	0.8
80.23748	0.8
83.01370	2.0
85.02949	10.2
89.02441	30.1
95.01369	1.3
99.00838	1.0
101.02436	22.1
101.75574	0.9
104.04166	0.9
113.02448	12.2
116.92874	1.1
119.02713	1.0
119.03477	6.8
138.46721	1.0
143.03508	1.9
237.61157	0.9
376.84442	1.0
471.31342	1.1
497.28799	4.3
633.36700	10.2
677.34131	100.0
678.34705	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	677.375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.2
57.03445	1.0
58.00609	0.7
59.01395	42.7
69.03473	2.0
71.01390	27.6
72.99303	2.9
73.02946	6.9
78.95888	0.5
83.01392	4.4
85.02956	8.7
86.00135	0.6
87.00880	5.7
89.02446	25.8
95.01381	2.8
97.02948	5.5
99.00854	2.1
101.02441	22.3
103.00409	0.5
111.00881	0.6
111.04498	0.6
113.00555	0.4
113.02458	11.7
117.03403	0.8
119.03481	5.8
121.02917	0.6
125.02434	7.3
131.03455	1.2
133.05064	0.6
139.04019	0.6
143.03519	2.2
145.02951	2.6
146.03282	0.9
152.99561	0.8
161.04538	5.8
165.14948	0.5
179.05612	3.1
179.93314	0.5
215.21146	0.5
221.06664	1.0
235.08231	8.6
253.09352	4.0
254.73434	0.5
255.86665	0.7
263.07623	1.1
279.23297	100.0
280.23569	2.9
287.07840	1.1
305.08832	2.1
323.09854	1.0
379.12753	0.8
397.13553	58.9
398.14117	0.7
415.14645	21.2
453.27979	0.5
587.93097	0.5
622.55090	0.5
677.39825	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	677.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
55.31262	0.5
57.03438	1.4
58.00586	1.3
59.01384	50.1
66.07364	0.6
69.03448	1.3
71.01379	31.2
72.99290	1.2
73.02943	5.0
78.95847	0.8
83.01373	4.4
85.02943	8.7
87.00878	6.3
89.02439	25.0
92.11734	3.5
95.01382	2.7
97.02945	5.0
99.00877	0.9
101.02431	26.5
113.02443	10.9
119.03468	8.1
121.02941	1.0
125.02427	10.4
129.64330	0.7
131.03487	0.8
141.31023	0.7
143.03479	3.0
149.04544	0.9
152.99498	0.7
161.04520	4.9
179.05571	3.7
190.09962	0.6
221.06670	1.1
233.53456	0.6
235.08243	7.9
253.09248	4.3
257.50171	0.6
263.07681	1.2
279.23291	100.0
280.23584	4.4
284.15198	0.6
287.07788	1.2
305.08829	2.3
397.13538	63.6
398.14005	4.9
415.14584	24.9
415.20078	0.8
420.32559	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4282
Annotation	Eryloside U
Peak:m/z	Relative Intensity
51.07646	1.2
51.43194	1.2
59.01395	15.4
71.01389	9.0
71.50638	1.2
74.39693	1.4
79.88502	1.2
89.02447	11.6
95.01273	1.5
101.02422	5.3
104.67526	1.6
105.74375	1.4
113.02486	1.3
119.03533	2.1
161.04604	1.5
179.05609	2.8
191.52156	1.3
215.91602	1.5
359.27567	1.5
406.66769	1.5
437.34247	2.5
497.36429	100.0
498.36679	6.1
663.32800	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	677.428
Annotation	Kahiricoside IV
Peak:m/z	Relative Intensity
59.01385	29.3
61.98822	0.3
64.27975	0.2
69.93743	0.2
71.01368	0.4
78.80044	0.2
78.95898	4.6
85.02953	0.3
89.02435	0.3
96.15539	0.3
96.96954	0.3
101.02444	0.4
113.02428	0.3
119.03465	0.3
141.60164	0.2
152.99576	6.2
209.21700	0.2
279.23325	1.1
388.95108	0.3
407.33051	1.0
433.23865	0.3
451.68179	0.2
455.35367	100.0
456.35681	4.5
469.37204	0.3
491.66812	0.3
595.28912	1.7
617.40576	2.0
677.42847	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	48.7
61.98828	5.0
81.03454	8.4
83.05028	20.5
84.64528	0.9
86.38020	0.9
100.26506	0.8
117.71613	0.9
225.16124	4.6
229.60284	1.0
242.21385	0.9
281.26047	1.4
391.29602	10.4
499.36804	1.1
515.30023	1.6
533.40747	1.5
599.45593	1.2
617.46558	100.0
618.47131	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	677.488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03506	1.5
63.96258	1.7
66.13547	1.7
70.13821	1.8
81.03439	10.1
83.05022	31.1
91.98328	2.1
95.33186	2.0
100.29935	1.8
140.79401	2.1
176.01149	21.5
184.48460	2.1
191.03519	21.0
224.18042	2.0
225.16040	17.5
237.47734	2.1
306.53940	1.9
309.48834	2.1
338.97989	2.1
368.75168	2.6
402.02231	2.2
451.32642	7.3
586.15338	2.3
651.88104	2.5
677.49756	100.0
678.49976	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	679.371
Annotation	Tenuifolin
Peak:m/z	Relative Intensity
50.37606	0.2
55.01884	0.4
57.03448	0.5
57.93352	0.3
58.00569	0.3
59.01389	8.1
61.03660	0.2
61.98822	0.3
63.70894	0.3
64.34745	0.3
71.01385	6.0
72.72257	0.2
72.99297	0.5
73.02948	1.8
73.72223	0.3
79.15868	0.2
80.74812	0.3
83.01391	1.5
85.02943	3.3
87.00890	0.5
88.44023	0.3
89.02447	2.2
89.81612	0.3
92.11742	0.8
95.01374	0.3
99.00853	0.5
99.27435	0.3
101.02429	3.8
113.02457	1.6
113.79780	0.3
119.03513	0.7
350.10052	0.3
411.29224	0.4
441.30228	0.3
471.31311	0.7
473.32748	7.3
499.31046	0.7
506.60336	0.3
517.31757	23.1
518.32440	1.4
559.33057	0.4
635.38208	4.1
678.36865	0.3
679.37305	100.0
680.37634	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	679.371
Annotation	Tenuifolin
Peak:m/z	Relative Intensity
54.95773	0.6
57.03455	1.0
59.01109	1.4
59.01387	27.0
61.98835	3.1
71.01385	13.7
72.99287	0.7
73.02949	1.6
77.04652	0.7
83.01378	1.0
85.02949	5.0
87.00860	0.7
89.02441	12.2
101.02445	8.7
113.02445	4.5
116.92850	4.0
119.03504	3.3
125.96986	0.8
129.10365	1.1
161.04630	1.3
179.05507	0.8
183.40884	0.7
196.04131	0.7
276.47562	0.7
350.04684	0.8
467.28122	1.4
473.32813	6.7
499.30325	0.9
517.31757	100.0
518.31958	4.1
531.33258	3.5
559.32898	18.5
617.36597	0.9
635.39020	1.1
643.33252	4.5
679.38379	70.0
680.37207	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	679.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45860	0.6
55.01874	1.5
57.03437	0.8
58.00593	0.8
58.50047	0.9
59.01384	39.0
61.98820	5.3
65.92680	0.7
66.25642	0.9
69.03447	1.6
71.01382	25.0
72.99302	1.4
73.02933	5.9
75.75300	0.8
78.95890	1.2
83.01390	4.6
85.02948	6.6
87.00877	4.8
88.13735	0.9
89.02438	25.2
91.04060	0.9
92.11760	1.0
95.01340	1.2
97.02946	4.9
99.00845	1.0
101.02434	22.7
110.26930	1.1
113.02450	10.2
119.03445	7.0
125.02470	7.1
133.05205	0.9
134.89430	1.0
143.03539	3.6
152.99593	1.2
161.04523	4.8
161.96265	0.9
179.05589	2.2
186.01787	0.9
235.08183	8.5
253.09366	1.5
281.24875	100.0
282.25235	2.2
287.07779	1.4
305.08740	3.4
323.10034	1.1
379.12393	1.3
397.13541	54.6
398.13953	1.3
415.14627	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.1
57.03447	0.8
57.30273	0.4
58.00603	1.0
59.01385	44.4
61.98833	13.9
69.03451	2.1
71.00985	1.1
71.01380	29.8
72.71372	0.4
72.99300	2.7
73.02934	5.7
75.00887	0.8
75.68425	0.5
78.95877	0.6
81.03436	0.9
83.01389	3.3
85.02937	6.2
87.00866	6.7
89.02431	24.5
91.03987	0.8
95.01359	2.9
96.34850	0.5
97.02940	5.2
99.00873	2.1
101.02429	22.6
108.19031	0.5
111.04495	0.7
113.02428	10.0
119.03482	6.5
125.02443	6.5
131.03554	0.5
133.05075	0.9
142.89655	0.5
143.03496	2.7
161.04539	4.8
179.05521	3.9
221.06689	1.3
226.78386	0.5
235.08246	9.1
253.09267	2.9
263.07730	0.8
281.24860	100.0
282.25192	4.8
287.07654	2.1
323.09787	1.0
379.12390	0.6
397.13519	63.5
398.13898	2.6
415.09509	1.0
415.14648	23.1
454.16553	0.6
546.33813	0.5
550.36731	0.7
574.13300	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09191	0.1
58.37299	0.1
59.22250	0.1
61.98834	100.0
62.04076	0.1
78.95892	0.2
84.63097	0.1
85.53452	0.1
99.49822	0.1
117.00465	0.1
134.05544	0.1
145.02989	0.2
152.99579	0.3
247.01389	0.1
617.38733	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	680.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57754	0.2
59.01387	1.2
61.98835	100.0
71.28848	0.3
78.40086	0.3
83.88979	0.3
85.02959	0.4
99.78228	0.3
127.32384	0.3
167.80844	0.3
231.44725	0.3
449.63672	0.3
468.08237	0.3
649.40179	2.0
650.39972	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	681.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.4
57.03455	1.9
58.00602	2.7
59.01385	72.3
67.04698	0.3
71.01381	53.5
72.99313	2.2
73.02942	5.1
75.00878	0.4
78.95901	0.6
83.01388	2.5
85.02942	7.7
85.30343	0.4
87.00859	2.5
89.02438	69.9
89.71728	0.4
95.01359	2.9
97.02953	0.4
99.00874	1.8
101.02438	30.2
113.02443	21.5
119.03485	21.4
125.02465	0.5
129.01945	0.6
131.03503	2.7
143.03497	3.7
149.04597	1.5
161.04552	6.3
179.05609	16.9
207.08762	9.1
208.09138	0.4
216.74284	0.4
339.12982	12.6
340.13272	1.8
341.10904	100.0
342.11441	1.7
623.54669	0.5
627.96417	0.4
656.09760	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
57.03445	0.6
58.00597	2.2
59.01384	60.8
71.01379	37.6
72.99281	0.9
73.02940	0.8
74.15031	0.5
80.41714	0.4
83.01382	2.1
85.02951	5.8
87.00847	0.8
89.02438	59.6
95.01370	2.1
99.00832	0.5
99.04590	0.5
101.02437	20.6
113.02440	16.0
119.03486	17.8
124.51932	0.5
130.81578	0.5
131.03459	2.6
143.03503	3.1
149.04579	0.9
161.04536	4.2
172.55148	0.6
179.05598	14.0
341.10928	100.0
342.11182	1.0
431.92374	0.6
569.84918	0.6
609.97119	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
57.03456	0.6
58.00590	0.8
59.01385	66.4
66.55915	0.3
70.72509	0.3
71.01379	44.5
71.18443	0.4
72.99315	1.9
73.02959	0.8
75.60469	0.3
83.01387	0.8
84.82838	0.3
85.02940	6.9
87.00883	1.6
89.02437	67.0
95.01379	2.2
99.00864	0.3
101.02436	21.0
113.02444	20.6
119.03487	21.4
131.03476	2.8
143.03514	2.2
149.04585	2.1
152.94115	0.4
161.04539	4.8
179.05605	15.5
180.72145	0.4
341.10910	100.0
342.10916	1.3
512.69781	0.3
644.84613	0.4
681.46216	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.2
57.58558	0.2
59.01385	1.6
64.33789	0.2
70.58002	0.2
71.01370	1.7
73.02930	0.4
83.01385	0.3
85.02947	0.3
88.25419	0.2
89.02425	0.5
92.12372	0.2
95.01382	0.3
101.02428	1.4
108.02167	43.2
113.02407	1.0
118.63449	0.2
121.01146	0.2
123.04508	22.0
125.02431	0.5
127.57233	0.2
128.83757	0.2
130.84389	0.2
152.01146	44.9
153.01535	0.4
161.04584	0.4
167.03484	100.0
168.03848	1.5
221.10281	1.9
287.11954	0.3
305.06729	0.4
329.08813	18.5
329.18292	0.3
330.08997	0.3
341.10895	1.1
353.14520	6.2
472.95428	0.3
704.29083	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82651	1.2
55.01870	1.2
57.03459	2.0
59.01390	91.7
59.01690	3.2
60.48903	1.1
66.31494	1.2
69.03442	5.5
71.01385	78.0
72.99316	2.6
73.02649	1.2
73.02958	19.0
75.00870	2.2
80.70293	1.1
81.03426	2.0
83.01387	6.0
85.02956	10.1
87.00851	2.5
88.98749	1.3
89.02445	100.0
90.17684	1.4
96.96027	16.4
97.02922	8.4
99.00885	27.8
101.02448	30.5
113.02444	8.7
115.04015	5.7
116.92864	2.6
119.03504	3.3
125.02451	22.5
131.03496	9.2
132.08582	1.3
143.03511	2.1
149.04578	17.1
159.03009	1.6
161.04536	1.5
164.04770	2.6
165.01842	2.1
176.01112	1.4
179.05719	2.4
179.07156	29.4
191.05595	8.8
195.06734	2.6
229.11610	1.5
233.06671	14.3
236.80853	1.5
243.03046	2.6
251.07729	1.8
255.02994	1.6
271.02383	5.9
293.08856	17.7
299.01959	3.3
300.02716	2.6
314.04395	5.1
315.05066	6.8
320.67014	1.4
339.08899	5.4
341.10706	5.5
369.13562	2.8
389.16156	2.9
549.69525	1.5
623.17114	8.6
653.24408	5.4
665.25049	2.5
683.25806	45.9
683.36688	5.0
684.26385	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	683.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90706	0.4
55.01876	2.4
57.03453	1.1
59.01390	56.1
59.15606	0.5
68.62795	0.5
71.01389	16.2
73.02968	6.1
73.67761	0.4
75.00883	0.7
83.01391	3.9
85.02966	11.5
85.44389	0.4
86.00173	0.4
87.00884	0.6
89.02451	0.6
90.85179	0.5
95.01429	1.5
99.00867	2.7
101.02441	15.4
111.17068	0.6
113.02461	8.3
117.35962	0.5
134.18224	0.6
143.03430	0.9
156.91481	0.5
159.02946	0.8
161.04532	7.1
227.33507	0.5
253.06781	0.6
267.17468	0.6
281.19086	0.9
299.20200	100.0
300.20554	3.4
315.79150	0.6
461.25519	96.3
462.25861	3.7
503.33926	1.2
623.30865	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	685.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11694	0.5
54.96730	0.5
55.01875	0.6
57.03446	1.1
57.65741	0.5
59.01387	7.4
68.87057	0.6
68.91733	0.5
71.01383	9.6
73.02931	3.0
78.95884	0.8
85.02953	2.9
87.00864	1.3
87.04506	2.9
89.02436	4.7
96.96002	15.7
96.96947	0.9
97.02914	0.7
100.31746	0.6
101.02443	6.5
113.02429	3.9
116.92850	1.2
122.78180	0.6
125.02428	2.4
128.03447	0.6
135.08179	0.8
137.09703	12.9
145.06158	0.7
155.10777	100.0
156.11179	1.0
161.04581	0.6
169.12320	2.7
180.07930	0.8
181.08765	4.2
199.09767	54.1
200.10077	1.1
209.10234	0.6
213.11353	1.2
221.06552	1.9
241.10834	12.5
276.93936	0.7
278.73877	0.6
301.12860	1.4
361.15039	6.7
391.17511	0.8
403.16101	16.0
403.21109	1.0
433.17276	3.1
454.35001	0.6
463.18164	4.4
499.20554	0.7
523.20288	10.8
543.36926	0.6
577.66681	0.7
685.25732	37.4
686.25934	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	685.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	4.0
57.03473	1.7
59.01107	1.1
59.01387	21.8
61.98820	0.8
62.88411	0.6
71.01382	37.6
73.02950	11.5
83.01398	5.7
83.56638	0.7
85.02945	20.2
87.00883	1.0
89.02443	10.4
95.01402	4.3
97.02905	1.3
99.00861	4.8
99.64885	0.7
101.02437	38.1
108.15835	0.8
113.02436	15.7
119.03496	3.4
125.02467	1.4
131.03528	1.3
140.94089	0.9
143.03456	1.0
159.03032	3.1
161.04585	14.5
170.01709	0.8
172.80284	0.9
181.25165	0.8
245.06517	0.9
263.66071	0.8
463.26984	9.1
599.63342	0.9
625.32373	100.0
626.32886	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	685.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36982	2.3
54.40577	2.4
59.01384	5.3
64.34475	3.1
71.01350	3.7
83.10151	2.7
92.11784	4.0
115.61997	2.8
121.02930	17.8
156.46117	2.8
184.62857	2.8
195.53252	3.0
309.30078	2.9
315.54608	3.4
401.08960	4.1
408.90799	3.4
649.39557	100.0
685.37006	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	685.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38717	0.8
55.25254	0.8
59.01369	5.4
61.98833	1.3
71.01373	2.2
73.02950	1.3
83.01344	1.0
85.02942	1.5
87.78980	0.9
89.69637	1.0
101.02399	1.6
116.17965	1.0
116.60123	0.9
117.15983	1.0
118.34100	1.0
118.64349	1.0
119.86127	1.1
121.97520	1.1
145.35622	1.1
206.75072	1.1
210.38554	1.2
236.95967	1.1
293.38373	1.0
320.19781	1.1
469.33582	1.4
487.34070	8.2
628.84607	1.2
649.39655	100.0
650.39789	7.3
685.36920	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	685.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82489	0.6
59.01352	0.6
61.02523	0.4
66.32098	0.4
67.05431	0.4
67.13772	0.4
81.36304	0.4
85.60538	0.5
91.07340	0.4
104.18584	0.4
197.02153	2.1
257.08334	0.5
264.52136	0.6
298.60312	0.5
364.34445	0.5
407.10269	0.5
487.34338	100.0
488.34692	6.9
512.73358	0.5
647.36334	0.6
685.37408	42.4
686.38043	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	687.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07606	2.6
51.95440	2.9
53.92057	3.3
54.82724	3.1
59.01385	81.4
59.57036	2.8
61.98845	3.2
71.01392	54.2
73.02940	14.5
75.00867	3.9
77.48439	3.0
82.95306	3.0
85.02945	6.5
89.02444	100.0
93.03448	3.5
96.00903	4.2
97.02940	7.4
99.00899	24.4
101.02416	29.1
113.02451	6.2
115.03994	4.2
116.92860	3.8
123.04572	4.4
125.02460	26.1
127.05149	4.4
131.03546	12.5
136.01669	16.8
137.02420	7.2
143.03513	5.0
149.04587	41.9
151.04028	13.7
191.05608	13.9
233.06593	26.1
249.88474	3.1
251.07822	4.3
273.15195	5.4
293.08804	72.2
309.07755	17.9
324.10080	6.3
339.12131	4.3
357.13367	7.6
465.21484	7.0
523.22095	3.5
627.26001	5.6
651.24695	4.5
651.35468	24.8
687.21033	65.4
687.34009	35.8
688.22345	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	687.36
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38970	0.7
55.01883	2.2
57.03446	1.1
59.01385	100.0
61.02028	0.8
61.98833	17.1
64.33743	1.0
71.01375	17.2
72.48284	1.0
73.02931	6.5
75.00882	0.9
83.01392	2.0
85.02940	9.2
89.02433	1.6
95.01350	1.3
97.02880	1.4
99.00873	1.9
101.02431	16.0
113.02459	8.9
114.38022	1.0
143.04556	1.1
159.03018	1.9
161.04538	9.9
166.09492	0.9
201.71416	1.1
202.14374	1.0
208.86136	1.0
465.28799	11.1
574.96832	1.1
627.33813	34.5
628.34692	1.5
687.36182	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	687.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82161	5.1
59.01378	33.2
61.98826	30.9
71.01385	51.5
73.02940	21.1
75.31644	4.7
81.25171	5.5
85.02940	37.9
89.02425	5.0
95.58012	5.7
101.02429	43.6
108.89348	6.0
113.02431	26.1
161.04597	13.6
205.61140	5.8
222.86632	6.2
370.58426	6.4
445.87305	6.5
615.17023	7.5
627.33984	100.0
649.39697	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	687.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07396	0.5
55.01876	2.7
55.04855	0.5
57.03445	2.3
59.01387	60.8
71.01382	24.8
72.99290	0.5
73.02949	9.3
74.00122	0.4
76.57459	0.5
83.01393	3.5
85.02946	13.7
86.55392	0.5
87.00864	0.6
89.02448	3.1
95.01389	2.3
97.02916	0.8
99.00910	3.7
101.02435	18.6
101.28570	0.6
103.13574	0.5
111.00872	0.7
113.02446	13.1
140.37564	0.5
141.01740	0.8
159.03011	2.2
161.04584	5.9
162.67575	0.6
283.68961	0.6
320.75491	0.6
448.28543	0.6
456.85074	0.6
465.28683	2.5
505.40195	0.6
626.74176	0.6
627.33966	100.0
628.34363	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	689.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87745	3.0
54.52216	2.9
56.23486	3.2
59.01161	2.6
59.01396	49.0
61.98819	3.5
69.69639	3.0
71.01369	17.3
73.14441	3.1
76.91073	3.1
76.96261	3.0
83.05006	4.3
85.76751	3.4
89.02444	16.6
93.88907	3.0
102.78857	4.1
109.06537	4.3
115.07623	7.5
135.00829	6.2
137.06067	4.1
141.55685	3.3
163.04008	7.8
175.07602	17.9
217.08646	4.1
249.08852	3.4
249.97711	4.2
254.90781	4.0
261.58246	3.9
285.67545	3.5
325.14136	4.5
353.92920	3.5
465.72696	3.8
495.19873	4.7
555.41278	4.0
645.25470	14.2
689.24609	100.0
689.35590	7.4
690.24249	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	689.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82260	5.2
52.27774	5.3
54.09775	4.8
59.01383	29.8
70.51913	5.6
71.01382	22.8
78.95899	40.0
89.02441	15.0
90.80203	5.7
97.02917	6.0
101.02434	7.7
103.30048	6.1
113.02412	8.1
116.92850	30.4
117.02987	6.4
139.17137	5.8
152.99530	7.8
155.67410	6.7
173.15897	6.0
178.04286	6.0
233.15489	11.8
255.23302	74.9
397.13516	100.0
415.14639	11.1
689.35370	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	20.5
71.01371	12.0
73.02910	2.3
78.95859	2.0
84.95122	2.7
88.17896	2.1
89.02439	22.6
90.39300	2.0
92.11653	4.2
101.02452	14.1
113.02448	9.1
119.03494	3.9
125.02443	3.5
130.38629	2.2
235.08177	8.5
255.23329	59.8
260.05283	2.3
305.08911	3.2
342.98639	2.1
377.15771	2.6
397.13571	99.4
413.17932	2.8
415.14468	26.4
423.78580	2.4
653.37488	18.0
689.35309	100.0
690.35730	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	689.4071
Annotation	Quadrigemine A
Peak:m/z	Relative Intensity
59.01369	1.0
62.33911	0.8
67.39820	0.8
68.22707	0.9
72.89005	1.1
78.95912	0.9
105.03454	2.2
132.02185	12.8
133.02960	27.1
134.03760	1.1
136.01633	1.8
137.02449	1.2
147.04576	1.0
160.01656	53.4
161.02393	6.0
175.03993	64.8
176.04257	1.3
177.01884	2.3
192.04268	1.9
210.64273	0.9
347.18243	0.9
453.33920	1.4
507.27667	1.3
615.37152	1.7
626.72437	1.1
629.39081	1.5
630.39600	1.5
674.38556	2.1
689.40674	100.0
690.41040	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	691.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46308	1.2
58.98973	1.4
59.01370	6.2
61.98813	2.2
68.47723	1.4
71.01379	18.7
71.32750	1.1
74.02458	1.7
79.95706	2.2
85.04102	1.6
88.04018	13.9
92.11781	3.4
96.00888	3.3
96.95997	100.0
110.03587	1.6
113.07210	25.3
114.01962	2.8
115.00349	11.6
121.02980	1.7
128.03529	1.7
129.10326	13.1
130.08684	8.4
132.02994	10.2
139.08754	2.8
141.10309	2.0
146.06117	24.0
151.08748	23.4
154.33830	1.7
155.08252	5.2
165.10461	1.6
166.09853	8.9
167.08269	3.6
168.11382	7.9
169.09758	3.4
181.09795	7.2
181.30954	1.4
186.05542	7.3
186.12465	8.9
187.10890	2.0
194.09354	2.1
198.12425	2.7
201.12509	1.8
203.08284	1.8
236.24939	1.4
243.11388	1.8
255.02818	4.8
260.14096	10.8
268.60068	1.5
270.14420	1.6
273.16046	2.8
284.03104	3.6
285.03958	6.5
298.15579	38.8
316.16611	13.6
338.68250	2.0
412.23492	6.5
423.86801	1.6
430.25031	11.3
431.23026	9.4
461.23859	8.0
502.26422	3.3
543.44476	1.6
558.26312	1.8
575.28210	5.4
576.26776	40.7
593.15149	6.0
673.28436	7.4
674.27539	3.6
691.29480	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07431	0.1
53.08620	0.1
55.01883	1.1
56.89553	0.2
57.03449	0.7
58.00613	1.4
59.01387	61.8
60.01707	0.1
68.84624	0.2
71.01385	27.5
72.99319	1.9
73.02973	0.5
78.32037	0.1
83.01387	1.7
85.02958	5.5
87.00871	0.6
89.02446	36.7
90.02800	0.2
92.11836	0.3
95.01386	2.1
98.79866	0.1
99.00873	0.2
99.08168	0.4
101.02447	21.6
113.02458	12.0
113.03259	0.3
119.03500	15.3
131.03490	0.4
142.96327	0.2
143.03476	1.1
143.07156	0.8
149.04553	1.0
159.06627	0.2
161.04561	0.4
161.08215	0.8
179.05609	1.7
220.16693	0.2
271.91898	0.2
279.06522	0.2
286.22079	0.2
323.13513	100.0
324.13861	2.0
401.64783	0.2
431.40201	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4069
Annotation	Gagunin B
Peak:m/z	Relative Intensity
53.50357	1.0
55.41590	1.0
55.98847	0.9
58.68229	1.1
59.01160	1.1
59.01384	22.0
61.98804	1.3
63.44771	0.9
71.01363	5.5
85.02940	2.0
101.02420	2.8
113.02425	1.7
152.00978	1.1
186.73929	1.2
265.08685	1.2
302.24680	1.4
347.70380	1.1
487.34366	5.7
631.38605	11.7
649.39319	2.4
686.24188	1.3
691.40741	100.0
692.41345	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	691.4075
Annotation	Gagunin B
Peak:m/z	Relative Intensity
51.97099	0.5
57.03472	0.6
58.00643	0.5
59.01402	14.0
60.04816	0.6
61.98832	1.0
67.48289	0.6
71.01399	4.9
71.01694	0.7
71.05018	1.1
73.02948	2.5
76.37124	0.6
79.47134	0.7
83.01393	0.8
85.02952	3.4
85.84834	0.6
89.02448	1.2
101.02444	4.9
106.72408	0.7
113.02444	1.5
547.77234	0.7
691.40765	100.0
692.41467	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	25.3
71.01382	0.3
85.02940	0.3
91.68752	0.2
113.02422	0.7
119.03470	0.2
161.04491	0.2
169.03072	0.2
224.17271	0.2
334.07175	0.2
393.31659	0.3
423.32712	0.9
447.13876	0.2
471.34866	100.0
472.35193	8.0
475.13330	0.2
485.36505	0.8
513.35022	0.2
633.39966	1.3
650.81677	0.2
666.83368	0.2
693.42493	0.6
694.07678	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32075	0.1
56.07846	0.1
57.03184	0.3
57.03455	4.6
59.01387	1.0
60.93314	0.1
67.01898	1.5
71.01385	0.2
74.02482	0.2
76.57674	0.2
77.71971	0.1
78.95915	0.2
85.02948	24.6
86.03288	0.2
87.00871	39.5
88.01221	0.2
88.60989	0.1
89.02431	0.2
101.02421	0.7
111.00877	100.0
112.01215	1.2
128.07112	0.2
129.01932	6.6
130.93593	0.1
130.99875	1.4
147.03035	0.6
154.99850	0.2
173.00917	3.8
191.01982	71.6
192.02339	1.0
251.26270	0.2
322.11597	0.3
349.94116	0.2
352.12515	1.1
353.12827	0.6
714.21429	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82365	1.1
55.01883	1.1
57.03443	1.2
58.00596	2.9
58.09521	0.6
59.01385	78.2
62.20161	0.7
66.19415	0.6
71.01380	53.6
72.99303	1.2
73.02950	3.8
83.01393	3.0
85.02943	8.8
87.00872	4.2
89.02438	76.8
95.01385	4.9
95.63846	0.6
101.02430	36.5
108.34385	0.7
109.02924	1.3
113.02444	24.4
119.03481	23.5
125.02426	8.7
131.03477	3.1
133.76295	0.7
137.02432	3.0
137.30861	0.7
139.03970	2.6
143.03517	3.9
149.04587	2.5
161.02420	0.7
161.04547	6.6
165.01973	1.2
167.03491	3.2
179.03824	1.0
179.05603	19.0
219.06769	1.1
221.10190	5.5
253.44632	0.7
259.84622	0.7
305.06705	14.0
341.11029	100.0
342.11227	3.1
353.14569	11.0
364.04318	0.7
389.12366	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18710	0.4
54.82064	0.4
55.01887	1.1
55.17738	0.4
56.53065	0.4
57.03455	2.2
58.00604	2.1
59.01387	100.0
65.12321	0.4
66.85667	0.4
71.01382	64.1
71.85529	0.4
72.99303	3.6
73.02955	4.3
75.00880	0.6
78.37227	0.5
83.01375	3.4
85.02946	12.1
87.00877	3.5
89.02438	90.3
90.02751	0.6
95.01379	4.1
99.00874	2.0
101.02434	42.8
112.61559	0.4
113.02435	29.9
114.05653	0.9
118.77432	0.5
119.03484	28.2
125.02463	1.1
131.03557	2.3
135.04517	0.7
143.03479	4.1
149.04651	2.9
161.04541	6.2
179.05609	19.0
219.06891	0.5
221.10303	6.3
226.12074	0.9
305.06958	0.9
318.86157	0.6
341.11179	94.6
342.11472	4.1
353.14447	10.6
354.15259	0.6
382.13199	0.5
406.48727	0.5
445.55890	0.7
462.26447	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11361	0.1
58.19625	0.1
59.01385	100.0
60.01717	0.5
61.98838	0.1
64.34385	0.1
66.58958	0.1
78.95900	5.4
84.19278	0.1
149.00098	0.4
150.06886	0.2
152.99576	0.3
205.15959	0.6
253.21696	0.2
279.23294	0.9
285.12604	0.2
324.47168	0.1
415.22327	0.1
427.19043	0.2
441.33658	0.4
447.13333	0.4
653.30365	0.2
695.31256	25.8
696.31616	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06540	0.1
54.74852	0.1
57.06570	0.1
59.01389	1.4
60.23736	0.1
63.18213	0.2
69.73761	0.2
73.76437	0.2
76.95689	0.1
78.95901	0.3
90.53169	0.2
91.68330	0.2
92.12427	0.5
93.03450	0.2
117.03463	23.3
119.05010	0.7
121.02960	4.7
123.04508	1.3
133.02939	1.0
134.03752	0.2
134.91472	0.2
145.02962	95.6
146.03276	1.5
152.99606	0.3
162.03246	2.6
205.67336	0.2
279.23318	1.1
453.33939	1.4
599.37543	0.9
615.40588	2.8
659.39673	100.0
660.40027	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	695.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60559	1.0
59.01389	2.3
60.11374	0.9
61.98845	1.1
65.77380	1.0
68.91299	0.9
75.00896	1.0
78.95910	7.4
107.09219	1.2
123.40946	1.2
152.99579	2.5
197.02365	3.8
234.78235	1.2
255.95195	1.3
279.23312	9.6
368.97104	1.0
399.63474	1.1
438.34528	1.2
497.36487	100.0
498.36707	1.7
601.30688	1.2
695.39038	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56119	0.2
59.01384	1.9
61.98836	100.0
62.96394	0.2
79.13406	0.3
83.74174	0.3
84.58155	0.3
91.39658	0.3
92.65111	0.3
97.54144	0.3
100.91914	0.2
217.00520	0.3
471.35056	0.4
472.35315	2.2
473.35565	2.5
474.35593	2.4
707.98828	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	100.0
61.34162	0.2
64.34821	0.2
99.76001	0.2
120.87234	0.2
121.02937	2.3
171.81989	0.2
191.03648	0.2
194.51144	0.2
197.74904	0.2
209.04652	1.0
217.00487	0.2
331.09058	0.2
362.64337	0.2
374.51614	0.2
415.38937	0.2
460.75446	0.2
593.13086	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60064	0.5
53.77962	0.4
57.03455	1.0
58.00599	2.7
59.01390	100.0
59.18925	0.5
70.79510	0.5
71.01389	56.1
72.99307	3.0
73.02953	0.9
73.04063	2.3
79.25032	0.5
83.01386	2.1
85.02963	10.0
87.00895	2.2
89.02451	78.5
95.01391	3.5
99.00884	0.6
101.02441	24.2
113.02452	22.0
113.03248	0.6
116.07198	2.8
119.03493	26.2
120.01256	2.8
125.07187	0.8
126.05607	1.3
127.08804	0.8
130.08734	32.3
131.03516	2.3
131.09096	4.1
134.03790	2.4
137.06081	2.9
143.03522	5.2
149.04579	2.7
149.06078	0.7
155.08287	1.1
161.04567	5.4
178.02672	1.3
179.05614	20.9
185.09338	1.1
185.16597	14.7
186.09698	0.8
186.16962	4.1
193.05070	3.0
195.37456	0.5
198.79773	0.6
229.15622	0.6
242.18782	6.1
243.19012	3.6
261.12540	2.2
286.17770	4.1
287.18143	1.3
296.70837	0.5
316.18826	28.1
317.12460	23.8
317.19061	18.9
379.16165	1.2
493.69116	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.2
69.00946	2.7
70.02989	3.6
71.01388	2.7
71.02497	8.6
82.02975	11.8
93.03413	2.3
96.00919	16.2
98.01220	2.2
98.02473	3.5
98.35820	1.9
99.00866	4.4
100.06886	2.2
109.01697	36.4
109.04060	11.0
110.02478	45.3
111.03275	3.7
116.05067	10.4
118.06611	11.7
119.05018	10.1
125.03567	3.7
126.05601	2.2
127.05145	25.8
128.03525	2.5
128.05075	3.1
134.06082	3.0
146.06137	10.4
154.09428	2.0
158.06186	3.2
161.07246	2.8
163.04004	3.9
165.05458	3.8
171.05646	12.5
173.07208	2.4
180.06558	2.5
187.05133	25.1
189.06693	13.7
190.08762	3.5
198.06755	3.4
200.05911	46.6
201.06538	3.0
202.08786	7.6
211.08766	8.2
219.32434	2.0
226.06209	7.3
227.04762	2.7
229.09831	10.9
247.12389	3.2
254.09375	80.7
255.07669	3.2
256.10980	2.8
257.09323	4.2
260.05609	16.4
260.10519	2.9
261.08749	16.4
267.09949	2.4
272.10440	2.6
273.10370	2.4
290.13132	2.8
291.11478	33.2
308.14172	7.1
310.10822	8.2
318.12521	2.9
334.12033	4.1
335.12823	12.6
358.15778	2.5
376.16470	2.1
401.16342	17.6
419.17294	90.5
439.17239	2.0
517.17035	3.3
662.23132	4.2
680.23645	100.0
681.23633	4.5
698.24750	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	698.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30512	0.1
59.01393	5.4
59.07342	0.1
60.01726	0.7
61.01816	0.5
61.98841	100.0
71.07271	0.1
78.95914	0.5
82.24699	0.1
82.64149	0.1
86.30783	0.1
92.11700	0.4
103.90179	0.1
168.38669	0.1
175.17938	0.1
179.04723	0.1
212.78525	0.1
214.68805	0.1
219.52667	0.1
226.99400	0.1
266.25974	0.1
357.12729	0.1
566.32196	0.1
697.31909	0.7
698.32330	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
57.03189	0.8
57.03453	17.2
59.01384	14.4
59.08138	0.5
69.03423	0.7
71.01374	5.1
71.05029	1.2
79.05514	1.0
81.03454	3.7
83.05008	7.8
84.02152	0.6
85.02950	4.7
85.06564	1.0
87.04514	5.0
89.02428	7.0
92.11733	1.1
93.03460	0.8
95.05020	10.7
96.95986	0.9
97.02948	0.6
97.06627	2.0
98.03772	0.5
99.04514	7.3
101.02454	3.9
107.05007	5.7
109.02938	8.0
109.06587	0.7
111.04508	4.1
111.08144	7.3
113.02435	3.5
113.06081	41.3
115.07667	0.7
119.03500	2.1
121.06589	2.6
122.03725	0.6
123.08170	0.7
126.31336	0.5
135.08150	3.8
137.06071	2.8
137.09749	1.2
139.07661	0.9
147.08173	1.0
149.09698	5.3
151.03993	0.5
151.07663	3.0
152.04788	0.7
153.09227	11.6
157.05054	29.0
162.03217	2.9
164.04742	0.6
165.09203	3.9
177.05592	2.1
177.09192	15.2
179.05614	1.2
180.07910	1.2
189.12868	3.5
193.08675	0.8
195.10214	5.0
199.11401	0.8
207.13927	3.9
217.12395	1.2
235.13423	2.9
251.12801	6.1
253.14497	7.6
279.12427	0.9
297.13440	100.0
298.13840	3.2
327.12329	1.0
380.72479	0.6
401.14624	2.8
577.35461	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00043	0.2
53.85270	0.2
54.82517	0.3
59.01388	3.7
60.01712	0.4
61.98836	100.0
75.51341	0.3
86.96329	0.2
147.45137	0.3
155.53163	0.3
245.96045	0.3
251.95319	0.3
460.50824	0.4
620.28137	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22353	0.8
53.13212	0.9
55.01887	3.8
57.03447	1.9
59.01385	79.4
61.98833	2.3
71.01382	37.9
73.02956	11.0
73.45853	0.9
83.01386	5.4
85.02949	17.5
86.00095	1.4
87.00868	9.6
89.02437	6.5
95.01388	2.1
95.16042	0.9
96.96004	1.1
99.00873	5.7
100.38967	0.9
101.02438	27.4
111.00904	1.1
113.02449	15.6
129.01965	1.5
159.03015	2.0
161.04610	11.7
252.31432	0.9
301.18265	4.2
315.19745	7.7
317.21307	9.3
366.50586	1.0
479.26450	10.8
551.28809	5.1
572.58185	1.0
595.82257	1.1
641.31842	100.0
642.31830	2.0
663.37390	4.1
665.39099	25.9
701.36536	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	701.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	3.0
57.03461	2.0
58.00616	0.5
59.01396	59.6
71.01391	30.7
72.99314	1.3
73.02951	9.7
74.27197	0.3
75.00882	0.6
83.01392	4.4
85.02956	15.2
86.00104	1.8
87.00872	5.3
89.02443	11.7
92.12348	0.9
95.01395	3.3
95.62280	0.3
97.02959	0.5
99.00887	4.3
101.02441	23.9
111.00886	1.4
113.02448	16.0
113.03256	0.4
119.03481	3.5
125.02486	0.6
129.01970	1.3
131.03586	0.4
143.03529	0.6
149.04584	0.3
151.08946	0.3
157.06033	0.3
159.03026	3.3
161.04559	9.2
167.02495	0.3
170.62785	0.3
275.02298	0.3
299.20148	0.4
301.17929	0.3
315.19821	2.2
317.21188	4.8
323.54364	0.3
475.33078	0.3
479.26538	10.7
480.26752	0.5
634.56024	0.4
641.31866	100.0
642.32117	3.7
663.37708	0.5
665.39294	4.6
701.34857	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	701.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52047	0.2
55.01889	4.1
57.03456	4.3
58.00599	0.3
59.01389	54.2
60.60163	0.2
69.03444	0.3
71.01385	37.4
72.99309	1.0
73.02537	0.4
73.02949	12.4
75.00883	0.5
77.60176	0.2
83.01385	5.0
84.79848	0.3
85.02953	20.5
86.00095	2.6
86.09469	0.2
87.00874	5.7
89.02451	4.7
95.01380	3.6
97.02957	1.1
99.00884	5.3
101.02442	26.9
111.00903	1.3
113.02455	18.5
119.03535	0.6
124.76466	0.3
125.02464	0.6
127.46215	0.3
129.01971	1.2
129.51421	0.3
141.01974	0.4
143.03552	0.6
159.03032	3.0
161.04582	11.1
259.17142	0.5
301.18130	0.5
315.19711	1.7
317.21222	4.1
365.46432	0.3
479.26538	9.7
523.25220	0.3
551.28516	0.3
634.83917	0.3
641.31891	100.0
642.32239	3.5
665.38971	0.6
701.34186	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20161	0.5
52.76332	0.6
54.82773	0.6
55.01884	3.1
55.19937	0.7
57.03461	3.3
58.00603	1.0
59.01114	1.4
59.01394	28.5
59.01687	1.4
61.98827	0.7
71.01392	36.6
72.99288	0.8
73.02956	9.0
75.00880	0.6
83.01389	5.7
85.02962	17.3
87.00877	4.8
89.02451	18.5
95.01365	3.4
99.00900	3.7
101.02438	29.5
113.02444	17.6
116.92857	3.1
119.03497	5.4
125.02439	1.6
143.03488	2.6
159.03006	1.2
161.04576	10.6
173.50420	0.7
179.05634	3.5
245.34323	0.7
261.82291	0.7
315.19675	1.6
317.21213	3.0
389.23264	1.0
475.94949	0.9
479.26630	8.7
641.31891	100.0
642.32330	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	701.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32000	0.3
56.94075	0.3
59.01373	2.0
61.98809	0.4
71.01385	0.7
75.65238	0.4
79.79289	0.3
83.36012	0.4
84.37122	0.3
85.02950	0.7
89.02434	0.7
96.96021	0.8
100.57870	0.3
101.02424	0.5
113.02463	0.5
197.02194	3.0
198.81386	0.4
301.05054	0.4
361.79245	0.5
380.12140	0.5
425.30902	0.5
458.44803	0.4
494.73068	0.4
503.33859	100.0
504.34238	5.1
641.32269	0.6
665.38770	0.8
701.36835	41.7
702.37494	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	701.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81537	0.4
55.01885	0.4
59.01114	0.5
59.01388	8.8
61.98839	3.4
62.39547	0.4
71.01382	7.4
72.99301	0.5
73.02925	1.9
73.89037	0.4
77.90956	0.4
83.01366	1.6
85.02950	4.0
87.00867	0.5
87.60361	0.3
89.02406	3.8
99.00842	0.5
101.02441	5.2
102.67389	0.4
105.06576	0.4
113.02436	3.4
113.36864	0.4
114.93549	0.5
119.03432	0.6
121.02934	0.8
125.02455	0.4
147.04509	1.0
150.03239	0.4
154.07999	0.4
165.05566	1.0
183.96831	0.4
215.16563	0.5
239.07152	0.6
286.03824	0.5
324.09995	0.5
377.21872	0.7
503.33743	2.4
521.21600	3.9
522.22528	0.6
663.37018	1.0
665.39166	100.0
666.39343	4.4
671.27179	3.5
683.26733	0.8
701.33081	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	701.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81537	0.4
55.01885	0.4
59.01114	0.5
59.01388	8.8
61.98839	3.4
62.39547	0.4
71.01382	7.4
72.99301	0.5
73.02925	1.9
73.89037	0.4
77.90956	0.4
83.01366	1.6
85.02950	4.0
87.00867	0.5
87.60361	0.3
89.02406	3.8
99.00842	0.5
101.02441	5.2
102.67389	0.4
105.06576	0.4
113.02436	3.4
113.36864	0.4
114.93549	0.5
119.03432	0.6
121.02934	0.8
125.02455	0.4
147.04509	1.0
150.03239	0.4
154.07999	0.4
165.05566	1.0
183.96831	0.4
215.16563	0.5
239.07152	0.6
286.03824	0.5
324.09995	0.5
377.21872	0.7
503.33743	2.4
521.21600	3.9
522.22528	0.6
663.37018	1.0
665.39166	100.0
666.39343	4.4
671.27179	3.5
683.26733	0.8
701.33081	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	701.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63499	0.3
55.93598	0.3
59.01387	3.5
61.98833	0.5
64.47417	0.3
69.05898	0.3
71.01369	2.6
73.02930	0.6
81.75719	0.3
83.01376	0.6
85.02937	1.3
89.02451	0.6
94.07806	0.3
94.36377	0.3
97.82803	0.3
101.02439	3.4
113.02451	0.7
116.92839	1.7
121.59274	0.4
290.75803	0.3
359.14923	0.7
457.33331	0.4
503.34006	0.7
641.31287	0.7
663.37683	6.3
664.38013	0.6
665.39148	100.0
666.39606	8.9
701.36780	53.4
702.37451	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	701.456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54143	0.2
57.69718	0.2
76.56728	0.2
78.95910	0.2
85.71121	0.2
91.09435	0.2
147.08159	3.1
159.58899	0.2
163.11293	100.0
164.11621	1.3
180.75014	0.2
196.99966	0.2
212.25409	0.2
225.13713	0.3
323.20212	5.6
339.23318	52.8
340.23654	1.4
345.18396	0.8
361.21539	31.8
362.21854	0.9
701.45251	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.6
59.01387	6.5
59.01633	0.8
59.12095	0.6
61.98819	1.1
62.76580	0.6
70.43899	0.5
71.01385	4.4
73.02925	0.7
84.39017	0.5
85.02946	3.2
89.02451	1.2
91.51353	0.6
92.12402	0.7
93.03448	1.4
97.02956	0.7
101.02431	4.9
109.02958	4.3
111.04539	0.7
113.02411	1.1
121.02946	18.0
122.03722	13.0
123.04555	1.3
124.01614	1.1
129.03377	0.9
134.03725	1.0
135.04510	2.6
135.08113	0.9
136.05330	0.8
137.02448	3.6
146.03764	0.9
147.04503	7.8
148.05298	1.0
149.06067	1.0
150.06873	1.4
153.09198	5.1
154.02711	4.6
159.08136	0.7
161.04784	0.8
161.06085	3.1
165.05563	33.9
175.07645	1.1
177.09192	2.3
179.07117	10.9
179.10765	0.7
191.07144	0.7
193.08617	0.8
209.08202	0.8
221.08141	1.4
239.09335	1.0
298.11920	0.7
313.14429	0.8
315.12292	3.1
341.12637	0.7
343.15213	0.7
345.84094	0.7
346.14319	15.5
347.15109	3.8
358.45618	0.7
361.16595	100.0
362.16815	1.3
463.81580	0.7
481.27960	1.4
505.20737	0.9
643.33209	8.7
667.37195	4.0
703.29602	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	703.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30821	0.2
57.03456	2.2
59.01391	1.2
64.34953	0.2
71.01387	1.1
73.02941	0.3
80.11917	0.2
83.05025	5.0
85.02937	0.4
86.22134	0.2
87.00881	0.4
89.02452	0.4
101.02442	0.4
109.06589	1.4
111.08158	69.0
112.08485	1.0
117.01903	0.3
121.75576	0.2
126.85826	0.2
129.09227	3.5
153.54623	0.2
155.07147	1.2
156.06657	1.7
156.10236	0.3
161.04558	1.2
169.03098	0.2
173.08191	100.0
174.08551	1.8
179.05586	2.1
224.09364	0.5
235.11855	0.3
276.09808	0.5
335.13528	43.5
336.13846	1.9
341.77185	0.3
354.34753	0.3
367.16025	1.1
399.44550	0.2
531.01184	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46236	0.4
55.01882	4.2
57.03452	1.2
59.01387	67.3
61.98820	1.9
65.16240	0.4
71.01385	31.1
71.05014	0.5
73.02578	0.8
73.02946	9.5
75.00853	0.8
83.01393	6.2
85.02949	16.1
85.78410	0.5
87.00883	2.2
89.02440	10.8
94.10173	0.5
95.01379	3.0
96.40696	0.5
96.96021	0.6
97.02944	0.5
99.00883	4.3
101.01765	0.9
101.02439	26.6
113.02442	15.8
119.03497	2.5
121.02949	1.1
143.03365	0.8
153.05458	0.5
159.03014	2.9
161.04536	9.3
165.05557	1.0
179.05746	0.6
197.04585	0.8
214.14499	0.6
272.68994	0.5
341.08832	3.3
346.14270	0.6
361.18881	2.3
448.99091	0.6
481.28027	6.5
643.33466	100.0
644.34167	7.4
665.39087	26.3
666.39319	3.1
667.40027	8.3
668.39105	0.8
703.36572	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	703.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11618	0.6
53.71159	0.5
55.01890	5.6
57.03447	3.3
59.01393	46.5
61.98834	0.7
67.54073	0.6
68.12665	0.6
70.08658	0.7
71.01385	36.5
72.27376	0.6
72.99299	1.0
73.02951	10.6
75.00880	1.6
77.66257	0.8
83.01393	5.5
85.02469	1.1
85.02951	18.5
87.00865	4.8
89.02439	9.9
95.01377	3.0
99.00866	4.4
101.02435	31.7
103.85058	0.7
111.87511	0.7
113.02452	16.2
119.03481	4.4
125.02401	1.2
129.01938	0.8
159.03035	2.8
161.04558	10.2
186.20325	0.7
255.61578	0.8
319.22787	1.1
339.00363	0.7
481.28296	7.6
528.27612	0.9
643.33441	100.0
644.33777	4.3
665.39008	5.1
667.39539	1.2
703.35529	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	703.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.1
57.03457	2.9
58.00595	1.1
59.01388	43.3
61.01803	0.6
61.98839	1.1
69.03463	1.4
71.01386	40.6
71.50529	0.7
72.99313	1.5
73.02945	10.7
75.62232	0.6
81.03429	0.8
81.04944	0.7
83.01380	5.0
85.02954	15.6
86.00087	0.7
87.00871	3.5
89.02444	23.4
89.02962	1.2
95.01367	3.9
97.02953	1.4
99.00879	4.6
101.02444	36.9
107.71801	0.6
109.06583	0.8
111.00863	1.1
113.02460	17.9
115.07640	2.7
115.66145	0.6
116.92865	1.4
119.03501	8.1
121.06581	0.8
125.02442	4.3
131.03427	0.8
133.06580	0.8
141.09225	1.6
143.03468	2.8
149.02469	1.6
159.03029	2.8
161.04555	10.1
161.05780	1.1
163.29744	0.7
165.09369	0.7
174.01575	0.7
175.07603	4.0
176.42548	0.7
177.05576	1.6
179.05696	4.9
185.09695	0.9
187.07727	1.1
217.08722	2.6
255.13980	1.2
263.07578	0.8
270.50113	0.7
271.64130	0.7
292.01028	0.7
317.21237	0.8
319.22736	3.9
323.09567	1.5
326.26376	0.7
481.28131	11.5
482.80710	0.7
643.33472	100.0
644.33234	2.6
659.27118	4.3
661.81763	0.8
665.39429	10.1
666.40021	0.9
667.39697	4.7
703.26172	25.3
703.37018	1.0
704.25934	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	703.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	4.7
57.03447	3.6
59.01384	24.2
61.98816	0.8
62.53666	0.5
69.03453	0.6
71.01380	36.9
72.99306	0.7
73.02945	12.9
83.01380	7.3
85.02946	23.6
87.00887	1.2
89.02433	3.9
95.01397	3.3
96.96048	0.6
97.02929	1.0
99.00861	6.8
101.02434	31.9
111.00858	0.7
113.01712	0.9
113.02441	20.3
119.03439	0.8
125.02423	0.7
129.01906	1.2
132.36427	0.5
137.09772	0.8
143.03520	1.9
155.10760	4.7
159.02979	5.5
161.04536	10.5
199.09796	2.5
319.22736	2.3
421.70868	0.5
481.28156	6.3
503.33591	1.1
643.33429	100.0
644.33807	3.2
720.46564	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.1
57.03463	0.2
59.01389	4.2
60.01728	0.3
61.01801	0.1
61.98836	100.0
71.01385	3.1
72.01730	0.3
73.02950	0.7
78.45100	0.1
82.08106	0.1
83.01391	0.3
85.02951	1.4
86.03310	0.2
87.00865	0.3
88.91525	0.1
89.02464	0.6
90.02866	0.2
95.01369	0.2
96.96024	0.2
99.00903	0.3
101.02439	1.6
102.02783	0.6
104.88867	0.1
113.02455	1.2
114.02816	0.2
125.02495	0.2
150.03276	0.2
161.04619	0.8
167.13562	0.1
209.10239	0.1
642.32428	0.3
643.32532	2.7
644.32849	5.1
704.31946	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74823	0.2
55.01884	0.3
55.86785	0.2
59.01390	5.8
60.01713	0.3
61.01834	0.2
61.98837	100.0
65.36686	0.2
71.01386	2.9
72.01718	0.2
73.02952	0.5
80.27766	0.2
83.01412	0.3
85.02944	1.7
86.03309	0.3
87.00868	0.3
89.02450	1.3
96.96035	0.2
100.86633	0.2
101.01877	0.2
101.02401	2.0
102.02778	0.4
103.31953	0.2
113.02457	1.5
119.03495	0.4
161.04614	0.4
185.38483	0.2
378.10056	0.5
381.80591	0.3
403.63904	0.4
482.27283	0.3
642.32764	0.4
643.32733	3.7
644.32849	6.4
664.18652	0.2
665.39777	0.4
666.39410	0.9
704.32458	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3867
Annotation	Hyalodendroside A
Peak:m/z	Relative Intensity
54.82374	1.0
55.01883	1.1
57.50320	0.7
59.01113	0.8
59.01384	20.8
61.98842	1.1
71.01376	5.1
73.56152	0.8
78.04960	0.9
83.01372	1.3
85.02943	4.2
94.21420	0.8
101.02428	2.2
113.02425	1.9
118.37896	0.9
130.19051	0.9
228.61674	1.2
376.60956	0.9
439.32401	1.8
457.33514	1.5
483.31381	10.0
501.32263	2.1
543.33105	5.6
623.28436	1.2
645.36530	10.1
663.37561	11.1
705.38605	100.0
706.39069	9.4
719.32776	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.4
59.01376	0.7
62.37766	0.3
66.35414	0.4
78.13808	0.3
78.54649	0.3
85.02921	0.4
89.02472	0.5
96.87238	0.3
104.02666	6.5
120.02121	0.6
123.00840	0.5
125.02467	0.5
128.03519	0.4
130.08762	5.0
131.09055	0.6
137.02464	0.5
147.04575	0.4
148.01674	10.7
172.09770	3.1
176.01149	100.0
177.01555	0.8
183.06580	0.6
191.03511	88.8
192.03850	0.7
303.14386	0.6
321.52179	0.4
357.09955	0.4
395.63159	0.4
562.31683	0.5
620.43280	0.4
717.33734	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.3
55.62749	0.2
57.03456	3.0
58.00592	0.5
59.01385	22.7
61.54041	0.3
69.03447	0.6
71.01380	28.6
72.99303	1.2
73.02945	17.1
73.75385	0.2
75.00874	0.4
83.01390	7.2
85.02950	16.4
86.00098	0.3
87.00854	1.8
89.02438	7.9
95.01392	2.3
97.02940	1.3
99.00878	6.5
101.02435	35.8
102.02824	0.3
111.00901	0.9
113.02446	14.0
115.04017	1.0
119.03477	1.3
123.12295	0.3
125.02436	1.3
129.01930	0.9
131.03500	1.7
143.03506	1.6
159.02950	2.7
161.04549	12.4
180.65570	0.3
221.10329	47.8
222.10751	1.1
233.06702	0.5
315.99734	0.3
353.14560	100.0
354.14896	2.9
357.06244	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07634	0.8
55.01880	1.4
58.00609	1.1
59.01392	73.9
65.84708	0.9
69.86280	0.8
70.92800	0.8
71.01392	56.4
71.45447	0.8
72.99318	4.6
73.02942	4.4
76.61317	0.9
83.01392	1.9
85.02961	10.3
87.00877	1.7
89.02447	79.1
91.06503	0.9
92.16077	1.0
92.56850	1.0
95.01382	1.6
95.06837	1.1
99.00884	1.4
101.02444	32.7
101.57989	0.9
109.26311	0.8
113.02451	22.6
114.05603	11.5
117.86545	0.9
119.03493	20.6
131.03510	4.1
135.04495	2.1
143.03485	1.9
149.04572	2.2
161.04558	6.4
167.08231	1.4
179.03442	1.8
179.05614	18.6
235.11829	5.8
253.35181	1.0
341.10934	100.0
341.18182	7.1
342.11270	2.3
367.16135	12.6
555.62286	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05208	0.4
58.02968	0.6
59.01383	6.3
60.01052	0.4
62.93470	0.4
69.47748	0.4
70.02971	8.1
71.01384	7.5
71.73242	0.4
72.00906	27.2
74.02074	0.5
74.02469	8.6
79.41830	0.5
82.02988	2.1
84.04530	2.6
86.02467	2.8
88.04017	0.7
96.00909	4.0
96.95991	1.1
98.02459	2.5
99.00866	3.2
100.04022	0.6
109.01688	53.2
110.02477	68.9
111.08145	2.3
112.00366	0.8
114.01966	8.6
115.00358	2.0
116.05059	47.6
117.23254	0.5
119.04998	2.7
121.05348	0.6
125.07930	0.5
127.02744	0.6
128.03520	4.0
128.05017	0.6
130.06636	3.5
131.09065	0.5
136.07620	2.5
138.05600	1.1
141.01718	1.0
141.35442	0.5
142.06628	16.0
154.01392	0.7
157.07718	8.5
159.09259	9.3
163.04013	1.0
170.06102	0.5
173.08211	3.5
183.05717	0.6
186.05632	6.1
193.07713	0.6
195.05679	0.7
195.09277	0.8
197.07191	3.9
203.08282	100.0
204.08641	2.0
213.10347	6.0
215.08292	13.2
221.07143	2.9
239.08215	3.4
257.09427	4.6
257.12836	0.5
259.07330	1.0
283.07263	60.4
284.07703	0.8
301.08328	44.4
302.08560	1.1
319.09390	84.4
320.09799	3.0
419.27084	0.5
647.02722	0.5
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
55.01883	3.5
56.66457	0.7
57.03449	1.7
58.00616	1.1
59.01109	1.1
59.01389	23.1
59.04071	0.8
61.98833	4.0
71.01384	23.9
72.59918	0.8
72.90694	0.8
73.02946	12.0
80.74342	0.7
83.01400	6.5
85.02948	13.4
86.00076	1.0
89.02429	7.6
91.56686	0.8
92.45463	0.8
95.01370	1.0
96.96001	3.2
97.02927	0.8
98.98068	0.9
99.00878	4.1
101.02428	26.5
101.60936	0.8
111.00880	0.8
113.02436	12.8
119.03467	1.6
125.02483	1.3
127.81319	0.8
128.56181	0.7
141.02039	0.7
161.04533	3.6
181.26059	0.8
230.36949	0.8
441.34296	1.1
487.34378	5.0
519.20667	1.2
605.40680	13.3
606.40497	1.0
649.39691	100.0
650.40186	11.4
663.38940	0.9
724.69305	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99226	0.1
55.72750	0.1
58.00604	0.6
59.01389	23.3
60.01703	0.1
61.98847	0.2
62.77490	0.1
63.29028	0.1
69.27467	0.1
71.01384	2.9
72.99294	0.3
83.01383	0.1
85.02953	0.7
89.02438	3.6
89.32916	0.1
92.12427	0.2
95.01352	0.1
96.52794	0.1
96.96045	0.1
100.63167	0.1
101.01383	0.1
101.02439	2.2
109.51804	0.1
113.02456	1.7
119.03521	1.9
143.03505	0.2
161.03355	0.1
161.04570	0.8
174.82733	0.1
179.05621	2.4
193.18033	0.1
204.71880	0.1
214.09100	0.1
221.62628	0.1
355.84753	0.1
371.16342	0.1
387.88138	0.1
407.29712	0.4
409.30945	0.4
439.32309	0.2
467.32120	0.2
469.33374	0.4
487.34344	100.0
488.34772	4.7
513.32178	0.2
529.35895	0.8
529.42590	0.1
649.39557	1.9
652.70825	0.1
709.41791	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	709.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10927	0.1
52.46128	0.1
55.01882	0.9
57.03449	0.3
59.01389	7.4
61.98832	0.2
71.01379	4.5
72.99290	0.3
73.02942	1.3
78.95885	0.1
80.95460	0.1
83.01392	1.4
85.02949	2.5
87.00850	0.2
89.02456	1.1
95.01385	0.2
97.16346	0.1
99.00881	0.3
101.02444	4.3
113.02432	1.5
119.03487	0.3
173.35889	0.1
234.69109	0.1
241.94502	0.2
274.95972	0.1
279.23282	0.8
300.25150	0.2
469.33408	1.5
487.34344	9.4
488.34927	0.7
641.80981	0.1
649.39691	100.0
650.40027	7.0
709.09943	0.1
709.35455	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.3
56.62962	0.2
59.01388	6.1
61.33019	0.2
61.98827	0.5
71.01382	1.7
73.02938	0.5
79.12209	0.2
83.01384	0.5
85.02951	1.5
94.94249	0.2
96.95976	0.3
101.02417	2.1
113.02474	0.8
120.96121	0.2
159.02942	0.3
167.85120	0.3
349.31372	0.2
440.33603	0.2
487.34506	2.7
649.39685	100.0
650.40082	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	710.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84437	0.2
52.46140	0.2
52.65969	0.2
57.03189	0.4
57.03456	8.5
59.01384	5.1
59.74511	0.2
71.01383	4.8
72.99294	0.3
73.02966	0.6
75.00841	0.3
83.01386	0.5
85.02950	5.0
89.02448	3.3
92.11713	0.5
99.00896	0.4
101.02442	3.4
103.04010	1.4
108.02177	2.1
109.02522	0.5
110.06135	1.4
113.02441	2.2
119.03499	1.4
120.01246	1.7
123.04547	0.6
125.48827	0.3
128.07173	100.0
129.07509	1.2
151.05122	1.8
152.01151	1.9
153.01501	0.4
164.07239	0.4
167.03470	3.3
168.03856	1.1
169.03909	0.4
172.93123	0.2
260.80341	0.3
281.06766	0.3
290.12488	21.7
291.12631	0.5
334.11356	0.5
349.79080	0.3
368.10226	80.1
369.10538	2.0
378.14365	0.4
395.76489	0.3
441.22046	0.3
550.27014	0.3
632.53601	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36942	0.2
55.01892	0.4
56.73046	0.3
57.03469	0.6
58.00608	1.7
59.01393	57.3
61.93671	0.2
69.03463	0.5
71.01391	39.5
72.99314	2.4
73.02956	15.0
78.46807	0.2
83.01393	1.3
85.02968	4.4
87.00877	1.2
89.02448	100.0
90.02785	0.4
95.01378	0.4
96.96001	0.7
97.02942	1.2
99.00880	28.6
101.02443	30.1
108.02177	1.6
111.23672	0.3
113.02447	5.7
115.04012	0.4
119.03494	1.6
121.02931	0.4
125.02449	2.6
131.03500	9.8
131.04370	0.3
141.09209	2.1
142.02995	0.3
142.09583	0.5
143.03525	3.3
143.04498	0.4
149.04561	50.3
154.11423	0.3
161.04532	3.4
165.05630	0.4
185.08194	0.6
191.05620	16.1
203.07112	0.4
221.06680	8.1
251.07738	5.5
263.07455	0.4
275.07690	1.1
279.06485	0.4
281.08499	0.6
281.53625	0.3
293.08743	3.3
294.08838	0.4
300.02725	0.4
309.11279	0.5
311.09875	7.9
480.39752	0.3
530.66248	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79069	0.4
55.01891	2.6
55.41331	0.4
56.99832	0.5
57.03455	0.9
58.00610	3.7
59.01387	81.8
60.01720	0.5
61.24575	0.5
61.98863	0.5
62.94073	0.5
63.58161	0.5
65.88924	0.4
69.03455	9.5
71.01382	74.8
72.99313	3.7
73.02942	13.1
75.00869	3.4
81.03440	4.8
83.01383	6.9
85.02946	10.1
87.00854	2.2
89.02441	100.0
95.01379	2.7
96.96013	2.7
97.02945	13.8
99.00872	19.9
99.04515	3.1
101.02437	16.2
108.02180	0.9
109.02953	1.0
111.00870	2.4
113.02434	7.3
115.03992	9.9
117.02016	0.5
119.03489	3.0
121.02959	2.4
122.03755	0.8
123.00865	0.7
125.02436	46.8
127.04007	3.1
131.03484	8.9
136.01659	19.8
137.02463	2.5
143.03484	3.5
149.04555	16.2
151.03998	23.1
151.05211	0.8
161.04585	1.1
162.03310	0.6
163.04036	1.2
175.04085	0.7
175.06169	0.6
177.05545	0.6
188.85260	0.6
191.05614	8.9
213.27727	0.7
233.06668	31.3
293.08810	84.2
294.09277	2.0
309.07889	0.8
334.68494	0.6
342.11087	5.0
357.13623	5.4
545.08441	0.7
648.07721	0.6
651.24658	0.8
651.36151	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	711.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83582	1.1
59.01382	4.2
60.99309	4.8
61.98818	1.0
72.70377	1.0
75.46236	0.9
78.95920	9.0
87.63528	0.9
92.41759	1.0
102.54625	1.1
110.98537	1.7
116.92836	2.3
117.03465	20.5
119.04958	1.9
121.02937	2.4
145.02965	76.5
153.09230	5.2
157.08713	2.4
161.02420	1.4
163.04019	2.5
181.83212	1.3
186.21097	1.3
187.03920	1.4
255.23137	2.0
279.23380	16.4
280.23682	11.8
281.24615	8.4
339.20035	1.6
421.65704	1.5
521.29150	8.8
613.39093	11.6
675.39075	100.0
676.39221	7.4
711.37451	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	712.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09828	0.2
51.16638	0.2
55.67087	0.2
57.71242	0.2
58.13869	0.2
58.80734	0.2
59.01392	2.1
60.01750	0.2
61.98838	100.0
65.68784	0.2
66.50975	0.2
67.38198	0.2
69.66282	0.2
71.01377	0.3
96.96009	0.4
109.08437	0.2
114.85265	0.2
119.57897	0.2
120.17163	0.2
145.14780	0.2
219.74847	0.2
309.79532	0.2
487.34308	0.5
488.34753	3.2
489.35196	2.7
490.35193	2.2
508.62628	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.535
Annotation	Pinelloside
Peak:m/z	Relative Intensity
59.01385	100.0
61.98830	10.2
68.77480	5.5
71.01376	32.3
76.57559	5.2
78.95921	6.4
84.24197	5.5
89.02435	43.6
91.47119	4.9
101.02417	25.5
112.79415	5.9
113.02435	12.7
115.74301	5.6
119.03432	10.1
156.13516	5.3
179.05679	6.1
195.78435	5.5
225.22137	10.1
279.23297	26.5
280.23615	22.4
281.24811	24.8
282.25140	12.1
296.26141	7.8
302.97614	6.9
466.87350	6.9
532.47510	47.1
550.48773	21.0
587.48608	6.2
635.15802	5.5
712.53809	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15871	1.5
57.03456	1.4
58.00551	1.5
58.78775	1.3
59.01385	30.3
61.98827	3.1
71.01380	23.2
72.99259	1.7
73.02940	6.3
73.48861	1.5
76.56872	1.5
83.01370	2.6
85.02956	10.9
86.15760	1.6
87.00857	6.6
89.02428	13.6
92.11728	3.5
92.64905	1.8
96.95999	3.4
97.02891	2.0
99.00825	2.0
101.02448	16.8
113.02421	8.2
119.03439	3.2
121.02997	2.0
125.02423	6.2
128.03476	1.7
139.11215	1.6
159.86938	1.5
161.04460	2.5
169.43774	1.5
222.27245	1.6
227.16560	26.3
371.20917	3.7
389.21906	20.3
471.31122	2.5
515.29999	2.4
533.26099	6.0
551.26843	9.5
605.10669	1.9
677.34924	2.9
713.32440	100.0
713.46661	6.3
714.32538	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14455	0.4
55.01880	1.9
57.03453	0.6
58.00604	0.9
59.01389	45.3
64.45417	0.4
68.99794	0.5
69.03455	2.5
71.01382	29.9
72.99303	2.4
73.02596	0.5
73.02944	4.6
76.57669	0.5
78.95910	0.7
81.03450	0.9
83.01385	3.5
85.02946	6.8
87.00872	5.7
89.02442	30.8
95.01392	2.0
95.81794	0.4
97.02956	5.5
99.00887	2.1
101.01768	0.9
101.02436	25.1
111.89123	0.4
113.02451	11.6
115.04008	0.6
116.92838	2.3
119.03503	8.2
121.03016	0.5
125.02435	8.4
131.03496	0.6
133.05072	0.7
139.03983	0.8
142.22208	0.3
143.03473	3.4
149.04665	0.4
152.99600	0.7
161.04558	4.4
167.03413	0.4
179.05609	3.4
193.73036	0.4
195.93977	0.4
217.07182	0.5
219.24455	0.5
221.06680	2.0
235.08243	8.1
253.09326	1.6
255.23322	100.0
256.23639	3.3
263.07672	0.7
281.24936	3.9
287.07718	1.5
305.08835	2.4
319.63916	0.5
323.09903	0.6
379.12518	0.7
382.05814	0.6
397.13538	84.9
398.13947	2.8
415.14648	25.2
416.14777	0.6
653.37903	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	713.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45682	0.2
55.01883	1.7
57.03448	1.3
58.00604	1.2
59.01390	48.1
66.36250	0.2
68.99806	0.3
69.03471	2.7
71.01389	29.9
72.99326	1.9
73.02954	6.4
75.00890	0.5
78.95904	0.5
81.03461	1.6
83.01393	3.9
85.02958	7.5
86.00090	0.3
86.50346	0.3
87.00883	6.4
89.02452	28.7
91.04018	0.3
93.03483	0.3
95.01395	2.2
95.22295	0.2
97.02953	4.6
97.30437	0.3
99.00881	2.2
99.04547	0.3
100.79253	0.2
101.02448	22.8
103.04015	0.5
109.03000	0.4
111.00945	0.3
111.04533	0.6
112.01649	0.4
113.02456	12.3
115.04016	0.4
116.92859	1.0
119.03498	8.0
121.02914	0.5
125.01548	0.4
125.02447	8.5
131.03513	1.1
131.09946	0.3
133.05063	0.5
139.03998	0.3
141.01909	0.3
143.03523	2.7
149.04538	0.6
154.06462	0.3
161.04572	4.9
167.03485	0.3
169.05103	0.5
179.05647	3.9
185.04564	0.6
200.72955	0.3
217.07175	0.4
221.06734	1.3
235.08247	8.6
245.06638	0.4
253.09280	1.5
255.23326	100.0
256.23761	2.5
263.07751	1.1
269.24942	0.5
277.09146	0.3
281.24823	1.7
287.07736	2.8
305.08749	3.4
323.09912	0.5
397.13547	86.5
398.14008	2.1
415.14633	23.8
416.15042	0.6
432.30145	0.3
653.37561	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	713.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67355	0.2
58.06398	0.2
59.65452	0.2
63.48215	0.2
83.05018	0.4
225.16106	0.5
325.58743	0.3
463.48651	0.3
484.60278	0.3
677.49561	2.7
713.47491	100.0
714.47809	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21521	0.9
55.01875	1.9
57.03430	1.0
58.00569	1.0
59.01114	1.7
59.01388	35.2
61.98832	2.1
69.03436	1.7
71.01386	25.0
72.99298	1.7
73.02942	5.2
77.68603	0.9
81.03442	1.3
83.01376	5.6
85.02943	9.7
85.22862	1.0
87.00859	7.2
89.02422	15.5
95.01366	3.8
97.02927	5.0
99.00857	2.5
99.92587	1.2
101.02435	17.8
111.00898	1.1
113.02433	12.9
116.92845	19.4
116.97230	4.1
119.03457	5.4
124.01627	5.1
124.18811	1.0
125.02444	7.2
125.65796	1.0
141.12842	1.2
143.03513	1.4
161.04588	1.5
183.17465	1.7
200.24661	1.0
211.17046	1.1
217.00259	1.4
229.15823	2.1
229.18100	43.1
263.12384	1.3
302.91266	1.2
373.22498	10.1
391.23444	27.5
535.27594	4.9
553.28558	11.9
569.72034	1.2
604.00159	1.2
715.34052	100.0
716.34314	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	715.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21521	0.9
55.01875	1.9
57.03430	1.0
58.00569	1.0
59.01114	1.7
59.01388	35.2
61.98832	2.1
69.03436	1.7
71.01386	25.0
72.99298	1.7
73.02942	5.2
77.68603	0.9
81.03442	1.3
83.01376	5.6
85.02943	9.7
85.22862	1.0
87.00859	7.2
89.02422	15.5
95.01366	3.8
97.02927	5.0
99.00857	2.5
99.92587	1.2
101.02435	17.8
111.00898	1.1
113.02433	12.9
116.92845	19.4
116.97230	4.1
119.03457	5.4
124.01627	5.1
124.18811	1.0
125.02444	7.2
125.65796	1.0
141.12842	1.2
143.03513	1.4
161.04588	1.5
183.17465	1.7
200.24661	1.0
211.17046	1.1
217.00259	1.4
229.15823	2.1
229.18100	43.1
263.12384	1.3
302.91266	1.2
373.22498	10.1
391.23444	27.5
535.27594	4.9
553.28558	11.9
569.72034	1.2
604.00159	1.2
715.34052	100.0
716.34314	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	716.242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67417	0.1
52.91172	0.1
53.21218	0.1
56.99141	0.1
59.01384	0.6
61.98837	100.0
67.20606	0.1
71.01398	0.3
87.98074	0.1
92.65742	0.1
96.96011	0.6
141.62204	0.1
142.29453	0.1
146.03818	0.2
165.05499	0.1
170.89851	0.1
190.73901	0.1
197.37067	0.2
422.20660	0.1
438.07889	0.1
623.24182	0.2
626.24512	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	4.4
57.03455	3.2
58.00593	0.7
59.01395	63.3
61.98817	0.9
63.76993	0.7
63.98495	0.6
71.01390	46.3
72.46408	0.8
72.99313	1.8
73.02946	11.1
75.00867	0.8
80.28178	0.6
83.01392	7.1
85.02459	1.5
85.02953	20.8
85.03418	1.0
86.00102	1.2
87.00842	7.0
87.12550	0.8
89.02444	20.6
92.11642	0.8
93.92802	0.8
95.01376	4.8
96.95980	1.3
97.02995	0.8
97.06591	1.5
99.00874	4.3
101.02441	29.9
111.00903	1.7
113.02445	22.8
119.03503	8.0
120.01231	1.2
129.01950	1.2
143.03490	1.9
159.03006	5.3
161.04538	10.0
179.05627	1.0
179.07076	1.0
193.08174	0.7
217.83340	1.0
235.13382	0.8
309.03806	0.8
317.17938	0.9
331.19196	7.7
333.20621	5.8
344.60645	0.8
495.26044	11.5
509.73508	1.0
657.31396	100.0
658.31989	10.1
716.47614	15.2
717.47784	14.9
720.68494	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35484	0.8
54.78391	0.8
55.01878	4.3
57.03457	7.0
57.81449	0.8
58.00594	1.1
59.01387	52.9
61.98829	1.5
64.34576	0.9
69.42038	0.9
71.00982	1.9
71.01379	46.3
73.02942	15.2
75.00868	0.9
83.01389	5.4
85.02949	22.2
86.00119	1.3
87.00874	6.6
89.02439	17.9
94.40974	1.0
95.01389	3.5
99.00870	4.9
101.02443	36.3
111.00856	1.5
113.02450	21.5
119.03497	4.3
129.01959	1.5
139.07639	1.7
143.03543	1.5
149.02394	1.5
150.03230	4.2
153.09193	2.1
159.03000	4.5
161.04573	18.9
165.05531	1.9
195.06653	1.5
245.15439	2.2
299.01001	0.9
301.18060	1.6
303.19693	16.3
304.19629	1.1
340.16541	1.1
341.10443	1.1
349.01678	1.0
359.59259	1.1
371.14963	1.3
387.20178	1.1
389.80661	1.1
465.24936	6.6
495.26102	16.2
519.24524	3.8
657.31378	100.0
658.32007	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	717.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	17.6
63.59777	3.1
71.01387	6.2
85.28240	3.1
89.02453	5.0
93.34958	3.0
97.02916	3.3
101.02422	3.9
116.92850	100.0
116.97255	46.0
136.50975	3.3
145.03012	6.1
173.95409	3.0
219.58278	3.3
252.07555	3.2
255.23331	4.9
283.26422	22.1
397.13513	42.9
415.14786	4.4
491.47980	4.1
498.52563	4.1
681.40936	5.5
717.37958	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55058	0.2
59.01382	0.5
61.98833	100.0
71.01385	1.0
75.81359	0.2
89.02456	1.0
94.89968	0.2
101.02516	0.3
121.02960	0.3
123.83498	0.2
125.02525	0.3
130.08719	0.3
140.48643	0.2
165.05612	0.3
232.21803	0.3
250.91750	0.2
256.20532	0.2
293.08936	0.5
310.40741	0.2
330.20462	0.5
409.58539	0.3
549.47943	0.3
616.94403	0.3
718.36536	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56263	0.4
54.82229	0.4
59.01112	0.4
59.01386	9.0
64.02435	0.3
71.01376	6.5
84.79391	0.3
89.02437	14.0
101.02446	4.3
113.02467	3.3
117.48025	0.4
119.03496	5.5
129.41055	0.4
143.03490	1.5
161.04572	1.8
179.05594	5.4
209.62018	0.5
215.03252	4.2
297.60217	0.6
341.10916	22.4
377.08588	100.0
378.09006	1.6
396.23184	0.4
406.92325	0.5
632.90240	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51783	1.0
52.47897	1.0
54.67599	1.2
55.01877	5.9
58.00587	2.6
59.01386	100.0
59.78202	1.3
61.98831	3.3
71.01382	60.6
71.56090	1.3
72.23868	1.2
72.99325	5.1
73.02943	7.4
76.38357	1.4
83.01389	5.9
85.02946	19.7
87.00874	3.1
89.02443	59.0
92.12227	1.9
93.03442	1.5
95.01403	5.4
96.96007	2.6
97.99965	1.4
99.00877	2.0
101.02435	38.5
107.10966	1.3
109.02945	6.0
113.02441	23.0
117.03450	2.0
119.03484	20.8
121.02937	23.2
122.03727	12.6
123.04507	2.4
124.01670	1.6
131.03479	1.5
133.02982	13.1
134.03764	11.2
135.04567	1.6
137.02448	2.4
145.02980	12.3
146.03751	9.2
147.04520	14.9
149.02452	21.4
149.04771	1.7
149.06070	13.8
150.03226	51.3
151.04016	3.0
154.02769	1.9
161.02481	5.3
161.04552	8.0
161.06088	7.6
162.03227	28.7
163.04010	2.5
164.04820	5.2
165.05573	48.8
177.05566	16.9
179.05626	9.9
179.07169	9.4
180.04358	5.3
191.07057	1.4
195.06667	8.5
198.85669	1.4
243.06746	1.5
246.82204	1.7
305.42163	1.3
313.14456	2.6
329.14001	3.2
346.14304	8.8
347.15015	8.5
361.16653	35.0
375.18106	1.5
377.08649	3.2
497.27652	3.0
509.21732	16.2
521.21967	8.4
523.21704	14.1
539.22510	1.5
659.32971	18.9
671.27197	59.1
672.27661	5.9
681.38312	7.6
719.28473	24.9
720.29596	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	719.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17689	0.6
57.97573	8.2
59.01349	0.7
61.98793	0.8
78.95896	1.3
107.83202	0.9
114.38630	0.8
117.03454	24.9
119.04948	1.1
120.85532	0.9
121.02920	5.4
123.04523	1.3
145.02959	100.0
146.03304	4.1
162.03185	2.0
224.00697	0.9
257.37003	1.1
295.54440	0.9
453.33859	1.1
615.40869	1.3
659.39600	68.6
660.40057	9.5
681.37634	1.2
719.35583	7.9
720.36304	1.2
739.74847	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4388
Annotation	cumingianoside E
Peak:m/z	Relative Intensity
54.96394	0.2
59.01387	33.7
67.53574	0.2
71.01395	0.3
76.57629	0.2
78.95918	0.3
84.60888	0.2
89.36627	0.2
101.02424	0.3
113.02450	0.5
119.03468	0.3
152.99562	0.3
175.53247	0.3
221.37437	0.2
437.34256	2.5
474.97516	0.2
497.36444	100.0
498.36899	4.6
659.41791	1.3
719.44025	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87265	0.5
57.04327	0.7
57.65977	0.6
59.01377	1.3
64.46293	0.9
71.01395	1.3
74.05656	0.9
81.03439	4.0
83.05018	15.7
89.02444	1.2
93.84145	0.7
94.31508	0.6
94.48289	0.6
94.67709	0.8
96.96025	1.1
103.29671	0.7
106.62180	0.7
107.37922	0.7
125.07186	0.9
175.11902	0.7
207.15147	1.0
224.17680	3.7
225.16098	13.0
242.03653	0.8
255.07060	0.8
333.23026	0.9
341.29666	0.8
367.27069	0.9
440.41895	0.9
451.32910	9.4
550.43976	1.1
659.48956	1.0
677.49774	100.0
678.49969	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	721.33
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
57.03222	0.2
57.03443	1.7
59.01094	0.3
59.01378	3.0
65.28406	0.2
69.03461	0.4
71.01382	2.2
71.05014	0.2
73.02941	1.7
83.01388	0.5
83.05024	3.9
85.02960	1.3
89.02448	0.5
101.02443	4.6
109.06581	1.2
111.08159	62.5
112.08482	0.9
113.02454	1.2
122.06113	1.5
122.88712	0.3
125.02476	0.3
128.03481	0.4
129.09225	2.6
135.08138	0.3
138.05630	1.3
140.86304	0.2
146.04510	0.3
151.07649	0.8
152.07166	0.5
153.09216	6.5
161.04570	0.5
165.05479	0.3
165.09067	0.3
167.03424	0.3
167.15453	0.3
169.08636	0.4
171.06656	0.2
173.08185	100.0
174.08501	1.5
187.09758	6.3
197.08202	22.3
215.09283	11.4
222.80028	0.3
228.09052	0.4
241.00926	0.3
242.89810	0.2
243.11348	2.8
245.10339	4.9
273.12469	5.7
273.88306	0.2
275.11398	13.9
291.13605	3.5
306.07599	0.4
335.13510	25.5
335.20551	1.9
336.13928	0.3
415.42679	0.3
590.96814	0.3
682.84344	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.5
59.01385	1.5
69.03444	1.5
71.01376	1.3
80.37728	1.3
83.01382	6.0
88.04028	5.9
88.28107	1.2
93.03458	1.9
93.88457	1.4
95.01366	1.5
96.96014	2.5
97.02930	2.7
103.13966	1.3
108.02164	1.4
109.02944	19.3
121.02962	2.2
122.03678	1.4
123.04530	12.6
125.02430	16.2
132.02992	12.4
133.03030	2.1
135.04504	3.2
137.02444	100.0
139.03966	2.9
145.02982	1.9
147.04439	2.8
149.02472	10.8
151.03990	10.6
157.09323	1.6
159.04498	2.3
161.02457	30.2
161.06085	2.6
162.03159	1.9
163.04024	17.1
164.01195	2.0
165.01906	2.4
175.03963	5.5
176.01122	2.6
177.01936	6.7
179.03502	2.9
187.03966	16.7
189.01921	8.3
197.06134	2.1
199.04005	6.4
199.07550	1.5
201.05533	1.5
203.03522	1.9
203.07150	9.4
205.01544	1.6
205.05060	8.4
225.05586	2.8
229.05037	2.8
239.03598	5.4
241.05072	8.2
243.03110	10.5
245.08235	10.6
255.02972	6.2
257.04608	9.3
258.05090	1.6
267.03030	14.9
268.03696	7.0
269.04501	8.7
281.04614	5.1
285.04050	6.4
289.07254	30.7
296.03326	1.7
297.03931	3.1
299.05646	14.4
300.02689	1.8
309.04205	2.0
419.07788	52.1
420.07993	1.9
437.08844	72.5
438.09204	5.4
451.10522	8.5
589.13641	36.6
590.13916	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	722.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15222	0.1
59.01408	0.1
61.98832	100.0
62.04022	0.1
72.78116	0.1
78.95901	0.1
108.13807	0.1
108.60103	0.1
117.03445	0.1
133.55609	0.1
143.60353	0.1
145.02994	0.5
152.99567	0.2
213.38834	0.1
214.90918	0.1
256.23691	0.1
395.13126	0.1
445.77542	0.1
630.86615	0.1
662.40448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32924	0.1
54.82391	0.1
60.16962	0.1
61.90030	0.1
61.98839	100.0
75.16298	0.1
117.03498	0.1
145.03035	0.3
157.53957	0.1
211.29012	0.1
374.88327	0.1
679.27460	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	723.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90242	0.7
59.01388	5.3
71.01383	4.6
72.00929	1.3
81.78773	0.8
86.02485	1.0
88.04034	1.5
89.02454	2.2
92.05029	1.9
96.95961	1.2
100.04066	1.3
101.02438	1.7
108.02172	5.2
111.00894	1.0
112.89294	0.9
116.05058	2.2
131.03787	3.7
132.04539	11.5
142.06714	1.0
143.06110	1.3
144.04555	9.3
146.08340	3.1
152.01172	4.5
153.01953	1.7
154.06619	1.5
156.06926	8.0
157.07713	14.3
158.04922	0.9
158.06158	3.6
159.05605	3.4
160.04062	10.6
167.06137	12.2
169.07758	5.3
170.06146	1.0
171.09312	12.0
172.04016	1.4
172.07761	1.1
173.07176	11.2
180.06909	1.4
181.07716	64.9
182.06099	2.1
182.07988	1.8
188.05972	3.8
197.07202	5.5
199.08797	43.4
200.09155	1.3
201.06657	3.2
210.91283	0.9
216.76747	0.9
217.09854	4.1
219.07828	4.2
226.05150	5.7
231.07664	1.0
243.07745	33.6
244.07938	1.3
260.59872	1.1
261.08795	63.6
262.09036	2.1
315.07281	5.2
380.15814	1.3
381.13092	100.0
382.13345	6.9
383.13663	1.4
503.15909	0.9
579.13678	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37963	0.2
54.36136	0.2
57.78045	0.2
58.02992	0.2
64.34419	0.2
75.67307	0.2
81.03448	5.1
83.05025	16.2
84.05310	0.2
111.55618	0.3
113.97438	0.2
114.28476	0.3
115.02626	0.3
125.07214	1.3
207.15028	1.2
224.17688	2.9
225.16112	14.9
226.16331	0.5
230.62480	0.3
238.43878	0.3
242.18686	0.5
250.15285	0.3
281.86292	0.3
309.21872	1.0
324.26740	0.3
324.92059	0.3
333.22891	0.6
341.29337	1.2
351.23981	0.3
367.27094	1.5
385.28238	0.3
433.31766	1.4
450.34454	1.7
451.32932	9.9
452.32831	0.9
550.43011	2.0
593.44153	1.0
659.48755	3.0
677.49817	100.0
678.50012	11.3
678.61493	0.5
680.51007	0.5
723.50720	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	725.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43114	0.2
55.01880	0.4
59.01389	5.2
60.01715	0.2
60.02671	0.2
61.98839	1.6
71.01389	2.7
73.02928	1.1
83.01388	0.4
85.02958	1.5
89.02432	0.9
91.72384	0.2
96.02670	0.2
99.00860	0.4
101.02438	2.9
113.02465	1.0
123.40620	0.2
152.76231	0.3
161.04500	0.2
165.44948	0.3
189.96667	0.2
245.14441	0.3
437.30673	0.4
459.33908	0.4
471.31329	0.3
495.80331	0.3
503.33771	7.8
504.33923	0.3
600.16876	0.2
621.39349	0.4
664.37897	0.4
665.39185	100.0
666.39545	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	725.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82320	0.2
55.01879	0.7
57.03460	0.2
58.93050	0.1
59.01390	6.3
61.98837	0.6
64.35094	0.1
70.62164	0.1
71.01390	3.1
72.99303	0.3
73.02952	1.1
80.17186	0.1
83.01390	0.8
83.14901	0.1
85.02953	1.9
85.17578	0.1
89.02440	1.2
101.02441	4.3
113.02451	1.3
113.49895	0.1
119.03482	0.2
142.95851	0.2
298.32599	0.2
343.70551	0.2
425.30737	0.6
455.31982	0.2
471.31271	0.6
483.31238	0.2
485.33035	0.6
501.32150	0.2
503.33844	10.7
504.33838	0.6
664.38184	0.2
665.39172	100.0
666.39539	8.0
734.71515	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61585	0.1
54.82814	0.1
58.00605	0.2
59.01388	20.1
71.01380	2.9
78.95888	0.2
85.02941	0.7
89.02444	3.2
92.12354	0.2
95.01390	0.2
99.00852	0.1
101.02447	1.7
113.02473	1.6
119.03513	1.6
143.03452	0.2
149.04543	0.2
161.04568	1.1
171.56818	0.1
179.05637	1.9
188.89001	0.2
256.96921	0.1
393.27859	0.3
395.29562	0.2
405.27936	0.2
423.29095	0.2
425.30609	0.8
453.30051	0.6
457.33206	0.2
465.30130	0.2
485.32895	1.5
503.33838	100.0
504.27362	0.3
504.34186	4.8
513.32574	0.6
521.21863	0.3
545.35022	1.7
665.39252	2.4
725.41351	2.6
726.41376	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49453	0.9
54.53533	0.9
55.01889	2.5
57.03462	1.6
58.00615	1.2
59.01391	27.3
61.98843	21.6
64.08357	0.9
71.01391	22.3
73.02938	9.4
75.00869	0.9
78.95903	4.9
83.01407	8.0
85.02950	15.5
87.00866	1.7
89.02430	7.1
92.12417	2.1
95.01392	1.6
96.96970	1.1
99.00844	4.9
101.02441	22.2
113.02460	10.5
131.28517	1.0
149.24890	1.1
158.32698	1.1
161.04579	1.8
161.45351	1.3
179.05634	1.2
195.06743	1.8
235.83267	1.1
246.51427	1.0
312.27420	1.3
439.32321	7.7
455.30502	1.3
459.34854	28.4
460.35349	1.4
473.31952	1.3
477.58859	1.4
501.31961	2.5
502.32462	7.5
503.33423	18.1
621.40057	17.9
630.31360	1.2
665.39166	100.0
666.39624	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	727.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.9
57.03438	7.5
58.98857	1.1
59.01114	1.5
59.01387	33.8
64.33963	1.2
67.09600	1.0
68.52689	1.2
68.99795	2.3
69.03460	8.6
71.01377	18.2
72.99297	2.2
73.02950	12.7
79.01981	1.1
81.03448	5.5
83.01378	4.5
83.05009	2.4
85.02412	1.6
85.02945	65.0
87.00870	100.0
89.56499	1.1
92.11802	1.2
93.03433	7.4
95.01371	20.3
96.95992	2.4
97.02937	30.2
99.00869	1.6
99.04482	2.6
101.02425	2.2
101.97533	1.0
103.04005	6.3
109.02939	10.4
109.03569	1.2
111.00872	6.2
113.02451	17.0
115.00355	11.2
115.04038	1.5
125.02405	5.3
127.03971	15.1
129.01953	1.9
137.02438	4.3
139.00378	10.5
139.03973	1.2
145.05055	5.9
149.02544	1.2
155.03484	1.2
157.01416	6.5
169.05109	1.8
173.04578	2.2
175.02478	29.5
181.01381	1.6
199.02509	20.3
217.03558	14.1
303.07245	10.1
321.08310	2.5
345.08273	4.7
387.09445	9.2
389.03113	1.2
405.10306	2.3
442.52805	1.1
447.85358	1.1
623.14679	5.6
709.18475	12.1
727.19226	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	727.384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93747	1.6
59.01396	24.3
71.01395	2.9
101.02449	3.9
158.04547	2.2
187.34723	2.3
313.54691	2.5
473.41721	2.2
487.34406	3.4
631.38519	14.5
649.39172	4.5
691.40723	100.0
692.41095	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	727.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64703	0.9
55.01873	1.6
57.03454	1.1
59.01114	2.2
59.01389	44.7
69.04220	0.9
71.00991	1.2
71.01388	28.7
72.77499	0.9
72.99295	1.1
73.02950	4.7
78.95909	2.5
83.01347	3.8
85.02946	6.5
87.00880	7.5
89.02438	22.2
95.01359	1.0
97.02942	5.2
99.00831	1.5
101.02444	23.7
113.02460	11.7
119.03474	9.2
125.02443	8.8
125.34978	1.0
128.30811	1.2
143.03488	1.8
152.99590	1.2
161.04561	4.4
169.04979	1.1
179.05594	2.0
221.06775	1.6
235.08267	9.0
269.24872	100.0
270.25101	2.4
287.07709	2.1
305.08893	1.6
397.13525	74.2
398.13782	1.3
415.14624	22.2
489.72961	1.2
532.92615	1.5
667.39178	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	729.4719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30666	0.2
54.82698	0.2
59.31604	0.2
59.41672	0.2
59.82130	0.2
78.95900	69.7
79.03229	0.3
86.86508	0.3
87.78493	0.3
96.96959	7.4
114.93304	0.4
124.52777	0.3
125.80877	0.3
141.87357	0.4
150.98015	1.9
152.99588	100.0
153.99947	1.2
171.00632	2.2
199.56845	0.3
279.23300	1.5
433.23648	37.2
434.24115	2.6
670.67487	0.4
694.36841	0.4
722.85114	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.364
Annotation	Glaucacyclopeptide B
Peak:m/z	Relative Intensity
58.02989	5.7
58.99561	0.7
59.01384	4.5
66.03491	2.0
71.01362	1.2
72.00921	0.7
73.04080	1.3
74.02082	1.1
74.02480	32.0
82.02990	6.7
84.00928	0.8
84.04543	1.0
87.05635	17.3
88.04036	3.8
92.65581	0.8
97.04066	1.1
98.02473	1.5
100.04080	1.1
101.07200	5.6
109.04079	12.7
110.02478	9.9
111.05637	4.2
112.02795	5.5
112.04041	5.7
112.07703	1.0
113.03589	1.3
115.08736	3.3
116.07183	9.4
117.83852	0.8
118.05055	1.8
125.02415	2.0
125.07198	3.1
126.05592	12.7
126.06709	7.5
127.05135	73.5
127.08715	1.8
128.03537	15.8
129.06706	31.5
129.10338	23.9
129.76520	0.9
137.07214	7.5
138.05576	1.7
139.08766	4.4
141.06680	4.4
144.07797	18.5
145.06195	7.9
153.06682	0.9
154.09872	8.4
155.08281	10.4
155.11906	12.2
163.11345	1.0
165.05444	1.2
165.10338	3.1
166.08714	7.3
167.08292	1.3
167.11943	0.9
168.07802	6.3
169.13480	2.0
171.15034	1.4
172.10921	5.5
173.09282	11.6
180.07758	3.2
181.06232	3.3
181.09822	8.5
183.11392	4.0
186.07365	0.9
186.08815	7.4
187.07310	1.0
193.09798	1.3
193.13474	1.4
196.10918	8.9
197.10446	5.2
197.12981	5.3
198.08910	6.0
199.07202	1.4
199.12993	1.0
200.14082	1.2
208.10953	7.7
209.09311	8.4
211.13539	1.1
212.45529	0.9
214.15654	0.9
215.11565	1.6
215.13889	0.9
216.09904	1.2
226.12064	6.6
227.10371	1.3
228.17165	16.1
238.15445	1.0
239.11307	1.7
240.09854	1.1
240.13487	4.8
254.18781	3.6
257.14182	13.9
258.11041	1.9
258.14258	7.0
264.17191	9.4
272.16205	1.2
273.12024	1.3
280.16513	1.7
282.18350	1.8
299.15024	6.7
300.15472	4.2
326.17270	3.5
339.20447	16.9
365.22009	9.5
383.19373	26.8
383.23669	1.6
384.19708	1.3
386.16891	9.0
427.22073	4.8
435.65018	0.9
472.24258	1.2
523.28839	3.2
558.23865	0.9
567.26813	0.9
642.31256	12.0
686.33820	54.9
687.34375	3.8
712.35254	3.5
730.36432	100.0
731.37079	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	731.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01937	1.5
52.60751	2.2
54.17683	1.7
59.01371	3.7
61.16660	1.8
61.98829	12.1
69.54446	1.8
71.01377	4.8
75.17956	1.8
78.95919	1.9
83.05006	2.4
84.22489	2.0
85.02954	2.3
88.98819	3.0
89.02430	4.7
96.95999	26.1
101.02432	2.5
121.02972	3.8
122.03747	9.7
133.02988	3.9
134.03741	72.3
135.04546	2.9
137.02412	12.4
139.03984	3.2
149.02432	9.9
149.06052	18.4
150.03215	53.7
153.09232	12.7
165.05569	51.8
178.02728	52.0
180.04274	3.2
193.03400	4.6
193.05066	100.0
195.06635	18.0
197.08113	2.4
215.46719	2.5
243.17914	2.1
354.24438	2.2
389.12744	5.2
441.35709	2.4
478.56146	2.3
537.19720	3.2
731.25897	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	732.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
61.98833	100.0
71.01368	0.2
75.32895	0.1
88.40390	0.1
89.02468	0.2
92.11748	0.1
141.59547	0.1
165.05516	0.2
185.59270	0.1
193.04971	0.3
233.06352	0.2
247.82353	0.2
251.66843	0.2
266.76108	0.1
272.97485	0.1
669.24194	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66140	0.3
54.11974	0.2
55.01888	0.3
57.03461	3.5
58.00608	0.3
59.01392	18.8
62.17544	0.2
62.57766	0.2
66.03496	0.3
71.01389	10.6
72.89740	0.3
72.99279	0.4
73.02946	1.6
83.01369	1.3
85.02957	2.9
87.00881	0.4
89.02448	7.5
95.01402	0.6
99.00844	0.4
100.07672	0.6
101.02437	7.4
113.02428	3.8
116.07169	26.6
119.03500	2.9
119.89709	0.3
124.07685	0.6
130.08711	0.3
140.10815	5.2
142.95683	0.2
158.11868	5.7
161.48042	0.3
184.09784	23.1
198.24046	0.3
202.10867	11.0
227.36783	0.3
241.05063	0.3
360.10800	0.3
363.10703	0.4
363.16840	0.4
364.16171	100.0
365.16394	1.6
371.67728	0.3
545.00079	0.3
565.85168	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82720	0.2
55.01874	1.0
57.03458	2.0
58.00583	0.2
59.01385	13.7
60.27378	0.1
65.14763	0.2
67.63457	0.1
69.03414	0.2
71.01379	11.3
71.05005	0.4
72.99304	0.7
73.02945	2.3
75.00853	0.4
83.01392	2.1
83.39486	0.1
85.02945	3.9
85.03419	0.3
86.00121	0.3
87.00862	1.2
89.02441	4.0
95.01378	0.9
97.02941	0.2
99.00852	1.0
101.02436	6.1
111.00858	0.3
113.02449	3.1
119.03471	1.0
125.02444	0.2
129.01886	0.3
141.77383	0.2
153.12794	1.5
181.12363	1.7
199.13417	16.1
200.13855	0.2
211.13432	0.3
241.14442	0.2
245.57384	0.2
251.74963	0.2
294.07635	0.2
343.17651	3.4
361.18732	100.0
362.19089	3.9
397.59610	0.2
535.27094	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.5797
Annotation	Unknow
Peak:m/z	Relative Intensity
59.67001	0.1
69.91788	0.1
70.37643	0.1
71.52369	0.1
72.85102	0.1
78.95904	0.3
85.33682	0.1
92.11782	0.1
152.99573	0.5
155.34619	0.1
190.08778	0.1
255.23590	0.1
277.21750	2.8
407.33289	1.4
455.35367	100.0
456.35638	6.3
619.88153	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	734.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84843	1.4
56.82286	1.3
59.01111	3.9
59.01395	95.1
69.03452	2.6
71.01391	66.8
72.99291	3.5
73.02938	6.5
79.97790	1.4
83.01383	3.5
85.02949	10.8
89.02448	96.9
95.01396	2.0
97.02946	3.0
99.00873	10.1
101.02437	36.3
108.43945	1.6
109.02934	6.7
113.02448	19.4
119.03493	26.6
123.04539	1.8
124.69790	1.8
125.02431	9.2
128.07191	2.9
131.03517	3.3
137.02466	21.6
143.03516	2.4
149.02452	2.3
149.04562	9.1
151.03964	2.5
156.77600	1.9
160.80374	1.7
161.02475	7.1
161.04584	10.5
163.04041	3.0
176.01056	1.9
177.01921	2.5
179.05644	19.7
187.04051	3.2
203.07130	2.1
233.06770	4.0
241.05321	2.0
245.08241	2.6
257.04492	2.1
287.64288	2.1
289.07291	3.9
293.08841	9.0
297.04022	2.1
341.06879	3.8
341.10925	100.0
341.15036	3.6
392.15717	36.1
419.07867	9.5
437.08844	11.4
585.03735	2.2
589.13892	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	735.197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93579	0.3
52.42462	0.3
55.01894	0.3
55.44643	0.3
57.03194	0.3
57.03458	9.5
59.01387	7.8
60.05241	0.2
64.94910	0.5
64.95255	13.4
66.22375	0.2
70.91782	0.3
71.01033	0.4
71.01383	6.2
71.99139	0.4
73.02934	0.7
74.00681	2.4
74.17644	0.3
76.47587	0.3
80.46348	0.2
80.73476	0.3
83.01385	1.4
83.99131	0.6
85.02941	5.4
86.02480	2.1
87.37524	0.3
89.02441	4.4
92.12395	0.6
95.01331	0.4
101.02439	4.6
103.04027	2.4
109.02952	0.3
110.06123	1.1
113.02423	2.7
119.03493	0.7
120.01180	0.5
123.04486	0.4
125.02413	1.3
128.07170	100.0
135.04617	0.4
137.02432	3.0
142.03333	4.2
149.02393	1.1
150.03233	1.7
151.04037	1.1
153.05598	0.6
157.05107	0.5
157.48302	0.3
160.04356	2.9
161.02515	0.6
165.05577	2.2
172.15016	0.3
195.06604	0.6
210.02895	0.3
232.29604	0.3
265.09421	0.4
267.03003	0.3
289.07184	0.3
290.12494	17.1
322.09714	8.4
334.11475	16.2
334.15503	0.6
368.10242	17.8
382.20361	0.3
393.12073	2.1
400.07468	9.1
419.07791	1.5
437.08884	2.1
589.13940	0.5
735.19678	42.3
736.19806	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	735.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82031	1.6
54.83273	1.8
59.01389	4.3
61.98848	4.0
70.02984	4.3
71.01398	2.7
74.02491	2.0
74.04418	1.8
82.02955	7.2
84.00931	2.5
89.02431	2.1
93.03452	2.8
96.00914	21.3
96.96007	8.4
99.00885	3.3
109.01698	19.0
109.04090	3.3
110.02489	36.0
111.01994	3.6
113.03583	3.8
113.07208	8.7
118.06651	2.9
119.05009	13.2
124.04030	12.3
127.05119	12.0
128.03568	3.7
134.06161	2.6
135.83348	1.9
138.05583	3.3
139.05135	4.0
143.06177	2.0
149.07188	4.0
150.15190	1.8
153.06667	24.2
165.06744	2.0
166.06274	4.6
167.04636	14.7
180.06726	4.7
184.07298	2.9
186.05595	2.9
187.05179	10.2
216.06682	8.7
233.56976	2.4
240.11403	30.0
258.12524	13.6
260.05637	4.0
264.09909	100.0
280.10818	2.7
378.64215	2.1
408.16794	7.5
426.17828	3.5
429.47794	2.2
429.53659	2.2
535.27655	3.0
687.24292	60.1
688.25623	2.7
705.25378	16.2
717.25183	9.7
735.26379	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	735.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38539	0.2
57.32166	0.2
59.01379	1.5
65.90185	0.2
69.95818	0.3
71.01389	0.4
77.67556	0.2
87.00861	0.2
89.02426	0.5
93.03483	0.4
101.02437	0.3
107.41441	0.2
111.00809	0.2
121.02924	1.5
133.02942	1.2
134.03732	60.5
135.04086	0.3
136.07643	0.2
137.02438	10.3
139.03996	3.3
149.02492	0.3
149.06082	20.4
150.03229	0.9
150.06422	0.4
178.02713	40.1
179.03030	0.5
193.05060	100.0
194.05415	1.9
257.14063	0.3
293.89279	0.2
321.14282	0.3
355.10394	17.0
379.15952	0.5
391.24258	0.3
394.33810	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74520	0.2
54.18878	0.2
73.02936	1.2
78.95893	0.8
85.28077	0.2
99.00877	0.4
99.92573	9.0
99.93224	0.3
103.41763	0.2
114.93401	0.3
116.92850	100.0
117.01933	1.9
117.92868	2.9
145.02968	0.9
152.99611	0.5
183.01237	0.4
217.00374	0.4
259.34949	0.2
291.33615	0.2
325.18500	2.9
579.12793	0.3
675.39899	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42537	0.8
59.01386	2.6
60.99320	7.1
61.98808	1.5
71.81379	0.9
78.95473	1.0
78.95914	6.2
116.92844	7.4
117.03468	13.4
119.05049	4.0
121.02970	3.9
145.02960	86.1
146.03262	1.2
152.99611	1.9
153.09291	7.6
162.03259	1.7
163.04092	2.3
168.74350	1.2
204.16992	1.1
205.26169	1.1
255.23334	2.4
396.91122	1.3
424.90253	1.2
521.29022	7.8
531.63599	1.3
576.98798	1.2
613.39093	11.9
675.39093	100.0
676.39398	7.0
735.45099	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	737.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.5
56.06173	0.3
57.03452	0.5
58.00607	0.5
59.01385	23.6
59.54319	0.3
70.11226	0.3
71.01382	11.4
72.99306	0.4
77.04365	0.3
83.01393	1.6
85.02948	3.6
85.06594	8.9
87.00886	0.5
89.01880	0.5
89.02436	14.7
95.01348	1.2
96.95962	0.7
97.38907	0.3
100.00403	2.0
101.02429	10.6
113.02442	5.4
113.06094	2.4
115.07616	2.2
119.03474	6.5
127.05126	1.2
127.07619	1.3
128.03539	0.6
128.07176	3.3
131.07133	48.6
137.02449	0.7
143.03519	0.4
144.02972	0.6
145.06192	0.7
148.06290	2.5
150.03148	0.5
161.04559	0.4
165.05574	0.3
173.08212	1.2
179.05598	0.4
211.29671	0.3
267.03311	0.3
293.12473	100.0
294.12726	1.3
334.11639	0.4
375.29669	0.3
393.11670	0.4
395.11737	0.3
438.09125	0.4
552.76770	0.3
634.04950	0.3
737.19537	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	737.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75070	0.1
52.01937	0.1
53.43743	0.1
53.76497	0.1
58.02975	0.3
59.01387	14.3
63.25675	0.1
70.53596	0.1
80.05027	0.1
81.03455	6.4
81.03932	0.2
82.06619	0.1
83.05026	20.9
84.05334	0.2
100.07674	0.4
107.06160	0.5
108.04531	0.8
125.07228	1.5
126.05614	0.3
132.55898	0.1
143.08234	0.4
157.13361	0.2
183.95892	0.1
207.15056	1.9
222.16055	0.1
224.17702	4.1
225.16096	16.2
226.16411	0.5
227.62347	0.1
242.18753	0.8
250.15744	0.2
268.16934	0.1
290.22488	0.2
291.20816	0.1
293.97034	0.1
309.21878	1.1
324.26563	0.7
333.23004	0.8
341.29303	1.0
350.24438	0.2
367.27209	1.9
385.28381	0.2
433.31839	1.4
434.32440	0.1
450.34540	1.8
451.32986	9.8
452.33789	0.8
468.35403	0.2
476.32404	0.1
502.62698	0.1
533.39905	0.1
535.38873	0.1
550.43500	1.4
559.39758	0.5
565.44348	0.4
593.44098	0.9
616.08636	0.1
659.48779	3.2
660.49493	0.2
677.49811	100.0
678.50104	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	738.357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35268	0.1
53.99593	0.1
54.82602	0.1
55.10592	0.1
58.00585	0.1
59.01385	2.6
60.01715	0.2
61.98835	100.0
71.01385	1.6
72.01732	0.1
72.99325	0.1
73.01812	0.1
73.02956	0.4
78.95918	0.1
83.59657	0.1
85.02975	0.4
87.00882	0.4
89.02430	1.4
90.02789	0.1
91.02865	0.2
97.02996	0.1
99.00877	0.1
101.02431	1.2
102.02752	0.2
103.02946	0.1
104.02260	0.1
113.02464	0.5
119.03529	0.3
120.03803	0.1
125.02469	0.4
126.02718	0.1
152.32469	0.1
161.04529	0.1
164.10185	0.1
168.97639	0.1
235.08289	0.1
236.08710	0.1
255.69688	0.1
277.21759	1.9
278.22095	1.8
279.22354	0.9
280.22757	0.3
304.90021	0.1
397.13693	0.9
398.13898	1.4
399.14102	1.9
400.14230	0.8
415.14633	0.2
416.15067	0.4
417.15063	0.8
418.15598	0.4
445.07602	0.1
459.09045	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	2.7
61.98835	100.0
70.87588	0.2
71.01387	1.8
71.40235	0.2
72.99348	0.2
73.02942	0.3
81.92983	0.2
83.30538	0.1
85.02958	0.3
87.00860	0.3
89.02446	1.8
92.65592	0.2
98.15915	0.2
101.02431	1.3
103.02909	0.2
103.19943	0.2
113.02477	0.8
121.03973	0.2
139.98106	0.2
194.24396	0.2
236.08641	0.2
240.71495	0.2
257.17682	0.2
277.21777	2.4
278.22104	2.8
279.22559	1.1
280.22742	0.3
397.13608	1.4
398.13901	1.9
399.14294	2.1
400.14597	0.4
416.15231	0.3
417.15326	0.4
418.15524	0.2
516.70880	0.2
578.80530	0.2
677.42877	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82666	0.6
61.98835	100.0
63.01353	0.7
78.95914	1.1
92.90222	0.7
114.31495	0.8
117.03426	1.3
144.93379	0.7
145.03085	2.4
152.99487	0.8
176.73123	0.8
279.23322	1.3
538.45746	0.7
675.38983	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	739.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82717	5.0
55.83335	4.3
59.01386	62.3
61.98834	9.3
63.35865	3.6
70.09707	3.6
71.01383	27.9
73.02955	17.0
80.20185	5.1
85.02967	5.5
89.02448	40.1
92.12297	7.3
99.00876	9.8
101.02434	19.0
101.06076	5.6
113.02487	7.2
125.02400	4.8
149.02509	5.6
222.45621	4.8
245.43849	4.7
278.46033	5.0
326.67892	4.4
339.94156	4.5
356.73041	4.8
357.16891	5.2
455.31815	8.7
469.29321	4.9
473.32523	8.6
517.31793	33.6
614.97729	4.9
671.27637	6.2
679.38080	77.8
689.24615	100.0
690.25592	6.6
735.79675	5.9
739.24109	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82717	5.0
55.83335	4.3
59.01386	62.3
61.98834	9.3
63.35865	3.6
70.09707	3.6
71.01383	27.9
73.02955	17.0
80.20185	5.1
85.02967	5.5
89.02448	40.1
92.12297	7.3
99.00876	9.8
101.02434	19.0
101.06076	5.6
113.02487	7.2
125.02400	4.8
149.02509	5.6
222.45621	4.8
245.43849	4.7
278.46033	5.0
326.67892	4.4
339.94156	4.5
356.73041	4.8
357.16891	5.2
455.31815	8.7
469.29321	4.9
473.32523	8.6
517.31793	33.6
614.97729	4.9
671.27637	6.2
679.38080	77.8
689.24615	100.0
690.25592	6.6
735.79675	5.9
739.24109	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91652	0.1
54.54350	0.1
54.76611	0.2
55.01885	1.6
57.03447	1.4
58.00594	1.3
59.01386	42.5
61.98849	0.1
65.15382	0.1
68.99824	0.2
69.03458	1.8
71.01382	27.8
72.99303	2.0
73.02945	6.1
75.00878	0.3
75.92078	0.1
81.03455	1.2
82.95437	0.2
83.01387	3.4
83.05042	0.2
84.20438	0.1
84.95129	1.4
85.00426	0.3
85.02948	6.8
86.00108	0.3
87.00873	5.3
89.02438	26.9
91.03997	0.3
93.03477	0.2
95.01373	1.9
97.02941	5.5
99.00896	1.8
99.04543	0.3
101.02435	22.4
102.02780	0.3
103.04021	0.3
109.02965	0.4
111.00874	0.3
111.04541	0.9
113.02444	10.9
115.04011	0.4
119.03491	7.1
121.02965	0.7
123.00887	0.2
124.01691	0.2
125.02432	8.3
127.04021	0.3
131.03482	1.3
133.05107	1.2
139.04015	0.7
140.09065	0.2
141.01971	0.4
143.03503	3.4
149.02405	0.2
149.04594	0.4
159.03142	0.2
161.04572	4.1
167.03551	0.4
169.05069	0.6
179.05621	3.3
185.04581	0.7
199.06332	0.3
217.07201	0.7
221.06682	2.1
235.08244	8.1
236.29669	0.2
239.31316	0.2
245.06718	0.3
253.09236	1.6
263.07687	0.8
277.09305	0.3
281.24875	100.0
282.25232	4.3
287.07727	1.9
295.26471	0.2
305.08771	2.7
323.09946	1.0
331.09961	0.2
379.12302	0.6
397.13541	72.4
398.13913	2.3
415.14618	22.1
416.15005	0.7
679.39465	3.4
680.39783	0.2
759.84052	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84389	0.1
58.00599	0.1
59.01393	2.1
60.01727	0.2
61.01808	0.2
61.93479	0.1
61.98841	100.0
62.04056	0.1
66.25178	0.1
69.03462	0.1
71.01383	1.2
72.01731	0.3
72.99298	0.1
73.02951	0.1
83.01402	0.1
85.02969	0.2
86.03347	0.1
87.00893	0.3
89.02443	1.1
90.02800	0.1
90.10186	0.1
91.02865	0.1
97.02966	0.2
101.02438	0.9
102.02802	0.2
103.02871	0.1
113.02505	0.3
114.02809	0.1
114.09413	0.1
119.03512	0.1
120.03886	0.1
125.02457	0.3
143.03578	0.1
145.04092	0.1
152.76895	0.1
232.84265	0.1
235.08229	0.2
279.23312	2.2
280.23648	2.1
281.23904	1.0
282.24280	0.3
354.58008	0.1
397.13528	1.1
398.13922	1.2
399.14084	1.6
400.14413	0.8
415.14627	0.2
416.15158	0.4
417.15015	0.7
418.15491	0.3
680.38239	0.1
691.83679	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	740.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53553	0.1
58.00599	0.1
59.01387	3.3
60.01709	0.2
61.98837	100.0
71.01389	1.6
72.01720	0.2
72.99314	0.1
73.01802	0.1
73.02963	0.4
77.30730	0.1
83.01382	0.4
85.02952	0.3
87.00876	0.2
89.02450	1.3
90.02806	0.1
91.02864	0.1
97.02969	0.2
101.02444	1.3
102.02811	0.2
113.02454	0.7
119.03517	0.2
122.88995	0.1
125.02483	0.5
127.37015	0.1
140.14290	0.1
143.03592	0.1
160.78038	0.1
161.04596	0.1
179.05655	0.2
235.08369	0.2
236.08710	0.2
237.08751	0.1
279.23334	2.4
280.23666	3.3
281.23880	1.4
282.24408	0.5
397.13608	1.2
398.13956	1.5
399.14072	2.2
399.18622	0.1
400.14313	1.0
415.14789	0.2
416.15195	0.5
417.15082	0.9
418.15753	0.4
602.64148	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	740.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.6
60.01712	0.1
61.98837	100.0
81.03474	0.6
82.03813	0.1
83.05034	2.0
84.05370	0.7
162.76045	0.1
195.28624	0.1
225.16180	0.6
225.18121	0.1
226.16405	0.8
227.16699	0.2
245.82201	0.1
331.12051	0.1
452.33862	0.2
453.33923	0.2
519.40686	0.1
678.50195	1.3
679.50372	4.1
680.50665	6.1
740.49487	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	741.147
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99909	0.6
61.98838	16.6
63.77766	0.5
63.99260	1.0
65.25042	0.5
77.03967	3.5
78.95907	0.9
86.48479	0.5
121.02953	100.0
122.03302	1.3
126.58747	0.6
149.25343	0.5
149.83133	0.7
152.99638	0.7
154.60695	0.5
165.01933	43.3
181.06615	3.0
191.03523	1.0
197.06210	0.7
224.92509	0.6
225.05565	0.9
265.09467	0.6
312.12137	0.6
313.07230	1.1
357.06174	7.6
473.47650	0.6
490.79395	0.6
579.01062	0.7
741.14526	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	741.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59687	2.4
59.01387	23.4
61.98824	3.1
63.76199	2.4
71.01381	10.5
84.01796	2.4
89.02425	9.5
92.12327	3.2
96.95995	10.3
101.02449	4.3
104.26930	2.6
110.24350	3.2
111.55578	2.7
121.17081	2.4
145.20345	2.4
149.02467	4.3
154.28339	2.4
166.03638	2.6
176.17700	2.6
187.11310	4.0
239.05571	3.1
241.14575	11.5
249.28563	2.7
432.28842	3.2
489.80093	2.8
521.29065	2.7
577.44659	2.5
624.20624	2.6
647.27789	10.4
681.37659	3.3
691.26086	100.0
691.37952	3.2
692.26294	3.6
741.25299	61.8
741.36707	4.8
742.25970	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	741.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.7
59.75923	0.1
61.98838	100.0
62.98547	0.5
69.80631	0.1
71.01385	0.4
71.22468	0.1
83.05050	0.1
85.02964	0.1
87.00873	0.1
88.23634	0.1
88.98806	0.2
89.02448	0.4
96.96012	0.4
114.24754	0.1
241.14583	0.1
425.76434	0.1
481.15796	0.1
680.50470	0.4
681.38000	0.1
681.51105	0.1
691.26111	1.4
692.27051	0.1
740.50110	0.8
741.25232	1.0
741.49634	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62333	0.8
56.64896	1.0
58.48845	0.9
58.72272	0.8
59.01371	2.1
61.84342	0.9
67.67346	1.0
80.61987	1.0
80.91677	2.0
82.13609	0.9
97.91618	1.0
112.46997	1.0
117.03448	24.5
119.04965	1.1
121.02966	4.0
123.04522	1.2
128.81284	1.1
145.02950	100.0
162.03210	1.5
185.02153	1.8
613.39056	2.2
615.40558	1.4
659.39606	36.1
660.39502	2.5
681.37787	50.2
682.37921	2.0
741.40552	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82738	0.5
59.01370	1.4
63.06936	0.5
63.62648	0.6
64.93556	0.6
80.56615	0.6
80.91685	2.5
99.29942	0.7
104.33409	0.6
105.86008	0.6
117.03461	23.7
119.05029	1.0
121.02949	4.0
123.04489	0.9
145.02960	100.0
146.03302	1.4
149.57074	0.6
152.99561	0.8
162.03224	3.0
211.85010	0.6
304.58994	0.7
453.33719	1.3
615.40607	2.6
659.39612	57.4
660.40186	4.7
681.37744	17.2
741.40204	14.4
742.41376	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72322	0.6
55.01884	1.3
56.52102	0.6
58.00597	1.2
59.01387	71.8
69.03463	1.5
71.00993	1.0
71.01381	29.0
71.01760	1.3
72.99312	1.9
73.02947	5.9
78.95901	1.5
83.01394	3.1
85.02966	6.4
87.00870	4.5
89.02441	29.2
89.02966	1.5
97.02955	5.2
98.51219	0.9
99.00869	1.8
101.02441	25.4
113.02459	10.2
119.03495	5.6
121.02978	1.0
125.02428	8.8
138.85124	0.7
141.01709	26.5
143.03462	1.7
161.04567	4.5
179.05513	2.6
185.04526	0.8
221.06584	1.3
223.02052	1.0
235.08202	7.6
236.65872	0.8
253.09329	1.7
281.25018	1.8
283.26447	100.0
284.26749	4.0
287.07712	1.4
305.08981	1.1
397.13528	83.0
398.13843	3.8
415.14627	27.6
534.58099	0.9
681.40826	4.6
686.56555	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84935	0.1
59.01386	1.6
60.01712	0.1
61.98837	100.0
62.04114	0.1
71.01378	1.1
72.01717	0.1
73.02947	0.1
85.02954	0.3
87.00895	0.4
89.02455	1.0
90.02818	0.1
91.02880	0.1
100.68329	0.1
101.02444	0.8
102.02845	0.1
113.02431	0.2
119.03522	0.2
125.02470	0.2
130.08481	0.1
134.22194	0.1
142.92546	0.1
157.35818	0.1
196.44551	0.1
227.62711	0.1
231.71413	0.1
235.08501	0.1
242.85818	0.1
281.24850	1.4
282.25266	2.1
283.25586	0.8
284.26035	0.1
289.04834	0.1
289.08136	0.1
303.51764	0.1
352.96506	0.1
376.17105	0.1
397.13461	0.6
398.13849	1.2
399.14008	1.4
400.14517	0.4
415.14804	0.2
416.15430	0.4
417.15460	0.5
488.88925	0.1
760.63641	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	742.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82425	0.1
56.54203	0.1
59.01384	2.0
60.01720	0.2
61.01814	0.1
61.98835	100.0
69.03468	0.1
70.24862	0.1
71.01384	1.4
72.01721	0.1
72.99337	0.1
73.01815	0.2
73.02946	0.1
78.95897	0.1
80.60076	0.1
83.01435	0.1
85.02963	0.2
87.00887	0.2
89.02431	1.3
90.02776	0.2
91.67490	0.1
92.11733	0.2
97.02978	0.2
98.47910	0.1
101.02444	1.0
102.02770	0.1
103.02891	0.1
111.72653	0.1
113.02470	0.4
114.02795	0.1
119.03521	0.3
121.03902	0.1
125.02436	0.3
145.03963	0.1
161.04517	0.1
235.08215	0.2
236.08627	0.1
281.24869	2.2
282.25186	2.6
282.27994	0.1
283.25522	1.5
284.26025	0.1
305.29611	0.1
365.99429	0.1
397.13492	0.7
398.13928	1.5
399.14041	1.8
400.14261	0.7
416.15192	0.5
417.15234	0.6
418.15628	0.2
525.88385	0.1
532.19836	0.1
608.11670	0.1
621.91724	0.1
722.70325	0.1
760.93481	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	743.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.4
58.00601	1.0
59.01384	45.8
61.71105	0.2
71.01379	33.1
72.99296	1.2
73.02938	0.9
83.01392	1.1
85.02943	4.6
87.00881	2.2
89.02435	57.3
90.02733	0.2
92.65129	0.3
95.01375	2.3
101.02435	19.5
110.39027	0.3
113.01855	0.2
113.02438	15.5
119.03484	19.1
125.02505	0.3
131.03517	2.1
143.03499	2.8
147.77151	0.3
149.04568	1.5
161.04558	4.1
170.44016	0.3
179.05611	13.2
195.12820	0.3
223.83443	0.2
234.21117	0.2
269.99216	0.2
276.32315	0.3
308.22516	0.2
329.39886	0.3
341.10898	100.0
342.11252	2.2
605.34491	0.3
758.01373	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97246	0.1
58.11716	0.1
62.48054	0.0
62.96409	0.1
78.88197	0.1
78.95900	52.0
80.94147	0.1
90.93595	0.1
96.96955	6.9
126.64977	0.1
150.98016	2.2
152.99588	100.0
153.19676	0.1
153.98822	0.1
153.99911	0.8
169.08015	0.1
171.00645	3.7
194.63997	0.1
277.21750	0.9
319.81055	0.1
431.22089	25.8
432.22479	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82162	0.3
59.01379	2.2
59.64886	0.5
69.16090	0.4
76.60412	0.3
78.95899	67.5
96.96957	5.5
106.98574	0.5
120.46432	0.4
122.94836	0.4
128.88361	0.4
141.01715	0.4
150.03381	0.4
150.98009	2.2
151.17595	0.4
152.99590	100.0
156.48680	0.5
171.00639	3.2
277.21814	2.4
311.16992	1.8
431.22073	36.5
432.22452	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	744.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35403	1.1
54.82623	1.4
58.02975	2.0
59.01390	11.6
60.99303	5.1
61.98822	1.3
67.55650	1.1
71.01385	10.0
72.00900	1.6
73.02927	1.6
73.04057	1.5
74.02470	15.3
74.02818	1.7
82.02966	6.7
83.01359	1.3
85.02947	3.2
87.00848	5.9
87.05632	15.0
88.00395	1.7
88.98801	35.1
89.02454	10.4
96.96024	1.3
101.02429	1.7
101.07196	5.8
104.03526	10.5
109.04047	11.7
110.02456	3.1
111.05625	2.1
112.04023	2.5
112.07622	1.4
113.02409	2.1
115.00214	1.4
115.08746	7.2
116.07172	9.9
125.07185	2.6
126.05609	13.2
126.06660	2.3
127.05138	62.9
127.08730	2.2
128.03537	19.9
129.06706	38.0
129.10350	12.8
133.01364	2.3
137.07199	2.9
139.08739	3.2
141.06709	3.2
141.10342	29.2
144.07767	10.6
145.06183	6.2
153.06686	1.7
154.09772	2.9
154.77335	1.3
155.08260	7.1
155.11850	1.9
155.38570	1.5
157.09850	2.1
159.11398	7.7
165.10362	9.2
166.08705	10.6
167.08296	1.7
168.07791	2.2
169.13454	5.4
172.10925	5.1
173.09309	6.2
181.09824	8.9
182.12978	7.9
183.11383	3.2
193.05116	1.5
197.12976	6.0
200.14056	5.3
208.10893	7.8
209.09386	11.4
224.14006	8.6
225.13585	2.6
226.12010	6.2
227.10469	2.7
228.17136	12.7
240.13547	2.7
240.17180	9.4
244.13037	1.5
258.18240	2.4
264.17126	9.0
267.14545	2.2
280.16541	2.4
281.70547	1.3
282.18304	3.1
293.08713	3.0
326.17270	6.1
339.20459	8.7
351.20438	26.0
361.16693	1.8
369.21490	7.4
383.19440	14.7
401.18237	5.4
402.18347	5.3
413.20364	7.8
414.20059	9.3
436.54108	1.6
551.32123	2.8
700.35272	76.7
701.35620	3.3
726.36365	2.4
744.37952	100.0
745.38312	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	746.222
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82582	0.1
56.00194	0.1
59.01386	0.6
60.01744	0.1
61.98836	100.0
64.22285	0.1
71.01389	0.2
89.02466	0.5
101.58491	0.1
119.03459	0.2
134.26588	0.1
240.58063	0.1
341.11230	0.4
342.11295	0.2
343.11533	0.2
391.80099	0.1
404.10489	6.1
432.06931	0.1
540.19421	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	746.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	35.7
71.01357	8.5
74.57194	5.1
89.02421	25.5
92.95134	4.9
96.48854	5.7
152.99538	8.6
169.74780	5.8
204.67476	6.1
230.76498	6.2
279.23300	32.0
280.23639	13.0
287.39227	6.4
480.48291	6.0
530.45728	12.9
548.46454	7.3
710.52026	100.0
746.50092	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	747.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03193	0.4
57.03456	8.7
59.01107	0.3
59.01387	6.2
61.59064	0.2
64.40400	0.2
69.52627	0.2
70.81557	0.2
71.01381	4.9
73.02940	1.1
75.27217	0.2
76.90126	0.2
83.01371	0.4
84.55208	0.2
85.02949	5.7
89.02448	2.7
92.11793	0.4
92.12322	0.4
94.41088	0.2
101.02435	3.5
103.04011	1.7
110.06107	1.0
113.02455	1.6
119.03497	1.3
120.01254	2.0
128.07170	100.0
129.07492	0.8
130.08707	0.2
161.04597	0.2
187.10994	0.2
223.06203	0.4
231.13445	0.2
290.12482	21.2
291.12784	0.4
323.42001	0.2
334.11343	0.3
368.10248	83.1
369.10544	1.8
607.04193	0.2
669.50543	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58978	0.9
58.00608	2.1
59.01388	100.0
61.98824	2.7
71.01385	62.0
71.85685	1.3
72.98382	0.9
72.99294	4.9
73.02971	1.6
77.35799	1.0
78.43557	0.9
81.73298	1.2
83.10443	1.0
85.02946	8.3
87.00884	2.3
89.02443	87.4
95.01401	1.4
96.95984	1.2
101.02437	14.1
113.02457	10.0
119.03523	10.9
120.02504	1.1
121.02956	2.3
122.03724	2.2
131.03503	7.3
135.04497	1.6
145.02982	4.7
146.03761	4.3
147.04587	1.4
149.02518	10.4
149.04555	21.3
150.03242	24.6
160.05281	1.5
161.02466	4.9
162.03226	19.0
165.05562	18.8
177.05580	7.1
179.03459	2.5
179.05675	4.2
179.07101	1.4
180.04446	2.1
189.96063	1.1
194.05865	2.5
195.06647	7.7
197.04475	1.2
219.06631	2.3
269.08121	7.6
283.09872	2.5
292.34259	1.1
298.08582	1.8
299.06073	1.2
299.09323	2.7
311.09302	6.5
313.10989	1.4
314.11627	7.3
325.10992	1.5
326.11649	2.0
329.13870	13.2
341.10138	9.7
341.14050	4.6
356.12640	1.9
371.14966	5.7
405.21304	1.8
519.20227	5.3
537.15503	1.2
579.22443	2.5
665.39331	1.9
705.65680	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.7
57.03453	6.2
58.00586	1.3
59.01102	2.3
59.01382	43.3
61.11771	1.5
61.98823	2.9
64.72077	1.1
71.01381	35.8
72.99299	1.7
73.02934	5.1
75.00881	1.8
83.01367	1.8
83.05028	1.4
85.02947	43.9
87.00876	1.4
87.49232	1.3
89.02440	19.1
91.05540	1.7
95.01369	11.3
96.96000	1.6
97.02933	18.7
101.02448	20.8
109.06604	8.6
111.04504	2.0
113.02444	71.2
119.03516	2.3
120.99669	1.5
127.56151	1.2
129.56171	1.2
130.08684	2.2
133.10225	72.8
135.08144	12.3
143.03555	2.1
149.06052	1.3
149.09715	6.6
151.04012	1.6
151.11298	12.0
153.09210	100.0
154.09575	1.4
161.04573	14.6
163.11276	2.0
167.10759	16.3
175.99303	1.2
195.06549	1.7
195.10280	19.2
197.08209	85.4
198.08562	1.8
204.11446	1.4
225.15144	1.9
239.09250	11.4
255.12418	1.8
264.08276	1.6
285.07678	1.7
299.11325	7.6
300.08212	1.3
315.14456	6.9
341.12384	2.0
359.13501	68.3
360.13715	2.3
361.26184	1.7
376.86081	1.4
405.21356	22.8
498.25659	1.3
741.27167	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40078	1.5
59.01388	28.0
69.62529	1.8
71.01381	14.0
87.35190	2.0
89.02456	13.3
101.02432	8.7
113.02432	3.3
119.03481	7.8
166.02074	1.8
179.05623	2.9
225.22285	9.1
278.24942	2.9
290.77908	1.8
297.21570	2.3
332.65048	2.3
374.18234	1.7
508.87540	1.9
518.13849	2.3
532.47253	13.6
550.48596	4.3
712.53735	100.0
713.54053	8.9
748.51459	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	748.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01107	1.4
59.01385	30.1
62.61402	1.1
71.01376	14.1
72.99306	1.1
79.92229	1.1
85.02954	4.2
89.02432	19.3
101.02438	14.1
113.02431	6.8
119.03465	9.2
125.24889	1.0
179.05531	2.1
225.22307	7.5
243.41409	1.2
262.73297	1.2
265.26627	1.1
271.22961	1.3
296.25894	1.8
383.90155	1.0
391.26654	1.1
397.50482	1.1
424.56296	1.1
480.47949	1.2
522.74170	1.1
532.47345	17.9
550.48370	6.8
712.53833	100.0
713.54236	13.5
748.51563	31.7
749.51544	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	749.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.3
57.03449	6.1
58.00604	1.5
59.01385	41.0
61.98827	0.9
67.65409	0.7
69.03441	1.1
71.01380	33.2
72.99303	1.6
73.02948	1.9
75.00887	0.9
78.95908	1.5
83.01388	1.4
83.05005	0.9
85.02949	50.8
86.03723	0.7
87.00910	1.3
87.85996	0.7
89.02435	15.3
90.62275	0.7
91.05522	1.0
93.03404	0.8
94.04258	1.0
95.01384	11.1
97.02940	16.2
99.00856	0.8
101.02432	17.6
103.07803	0.7
107.08656	1.4
107.96867	0.7
109.06583	9.6
111.04523	1.5
111.08105	0.8
113.02446	67.3
113.06057	1.2
119.03488	5.1
130.08710	4.0
132.04735	0.8
133.10222	74.5
134.10602	1.0
135.08171	14.8
137.09726	1.3
139.11365	1.1
143.03494	2.9
149.09724	4.3
151.07741	1.0
151.11314	11.4
153.09216	100.0
154.09492	3.4
161.04555	18.6
163.11313	3.5
165.09177	1.5
166.08661	0.9
167.10765	18.2
177.09242	3.4
195.06458	1.3
195.10257	22.1
197.08202	85.0
198.08504	1.6
223.07689	1.0
225.11270	0.7
239.07101	1.1
239.09286	14.4
243.11438	1.3
255.12425	1.5
269.10370	2.9
285.07718	4.1
297.13428	1.4
299.11392	11.0
310.98892	0.8
315.14383	11.5
323.15878	0.9
324.16446	1.1
341.12393	3.6
358.19644	1.0
359.13507	85.7
360.13824	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	749.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.3
57.03449	6.1
58.00604	1.5
59.01385	41.0
61.98827	0.9
67.65409	0.7
69.03441	1.1
71.01380	33.2
72.99303	1.6
73.02948	1.9
75.00887	0.9
78.95908	1.5
83.01388	1.4
83.05005	0.9
85.02949	50.8
86.03723	0.7
87.00910	1.3
87.85996	0.7
89.02435	15.3
90.62275	0.7
91.05522	1.0
93.03404	0.8
94.04258	1.0
95.01384	11.1
97.02940	16.2
99.00856	0.8
101.02432	17.6
103.07803	0.7
107.08656	1.4
107.96867	0.7
109.06583	9.6
111.04523	1.5
111.08105	0.8
113.02446	67.3
113.06057	1.2
119.03488	5.1
130.08710	4.0
132.04735	0.8
133.10222	74.5
134.10602	1.0
135.08171	14.8
137.09726	1.3
139.11365	1.1
143.03494	2.9
149.09724	4.3
151.07741	1.0
151.11314	11.4
153.09216	100.0
154.09492	3.4
161.04555	18.6
163.11313	3.5
165.09177	1.5
166.08661	0.9
167.10765	18.2
177.09242	3.4
195.06458	1.3
195.10257	22.1
197.08202	85.0
198.08504	1.6
223.07689	1.0
225.11270	0.7
239.07101	1.1
239.09286	14.4
243.11438	1.3
255.12425	1.5
269.10370	2.9
285.07718	4.1
297.13428	1.4
299.11392	11.0
310.98892	0.8
315.14383	11.5
323.15878	0.9
324.16446	1.1
341.12393	3.6
358.19644	1.0
359.13507	85.7
360.13824	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	751.4277
Annotation	CHEBI:69156
Peak:m/z	Relative Intensity
57.18558	0.5
59.01108	1.0
59.01387	23.0
59.40116	0.6
71.01041	0.6
71.01366	5.3
71.51917	0.5
73.02946	1.3
76.14122	0.6
83.01390	1.3
85.02949	3.9
86.04834	0.5
89.02422	0.6
89.47595	0.5
101.02453	4.3
107.31382	0.6
113.02462	2.7
118.50126	0.5
128.43996	0.6
134.40565	0.6
146.38367	0.6
174.62170	0.6
200.12926	0.6
257.44580	0.6
302.39642	0.7
316.98257	0.6
399.78586	0.6
408.67142	0.6
443.35529	0.7
469.33298	2.7
487.34698	4.6
524.02667	0.6
529.35162	0.7
587.91968	0.6
631.38446	13.8
649.39941	3.9
691.40692	100.0
692.40790	8.2
751.36304	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02950	0.2
99.00866	0.1
99.92573	12.3
100.92577	0.2
114.93412	0.5
116.92849	100.0
117.01923	0.5
117.92864	1.6
127.45096	0.1
136.34416	0.1
146.25003	0.1
152.90047	0.1
165.31923	0.1
186.88232	0.1
197.00543	0.1
284.59106	0.1
290.60010	0.1
377.51965	0.1
401.62457	0.1
602.66895	0.1
630.65924	0.1
645.49695	0.1
686.43555	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	753.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38375	0.8
59.01390	9.5
61.75613	1.0
71.01398	6.4
83.05039	0.9
83.76406	0.8
85.02901	0.9
89.02441	8.0
92.12393	2.2
109.06581	1.7
115.07648	4.4
133.06627	1.1
141.09187	3.1
147.98718	0.9
149.02484	1.9
159.08167	0.9
161.06038	1.0
163.07640	0.9
175.07658	3.6
177.05576	5.2
197.05989	1.1
211.99451	1.0
217.08742	5.7
255.13864	2.1
287.16550	1.7
355.15579	1.2
523.22675	1.3
531.88232	1.0
577.78278	1.2
659.27399	4.9
703.26172	100.0
704.26160	1.8
753.25348	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58366	4.5
59.01147	6.3
59.01393	96.4
61.98837	11.7
67.11374	5.6
71.01394	64.7
74.46725	4.9
79.61073	5.2
89.02443	100.0
96.75806	5.6
96.95986	10.3
101.02425	8.4
113.02471	8.2
120.01260	8.1
131.03481	9.3
141.55406	6.3
141.76599	5.8
149.04572	40.3
150.03258	10.1
162.03264	42.2
165.05624	8.6
177.05566	23.7
182.44408	6.5
275.76233	7.2
283.26410	6.0
311.09357	7.6
341.10507	22.9
344.12686	8.4
356.12585	8.5
359.14990	22.1
371.15128	12.3
484.90341	7.9
517.52264	6.2
609.22992	11.1
693.33264	25.4
753.25330	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	753.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24250	0.2
53.45865	0.2
54.82571	0.2
59.88862	0.2
60.21719	0.2
72.99323	1.7
75.00874	100.0
76.01205	0.4
76.05257	0.2
83.05035	1.0
90.76894	0.2
110.22025	0.2
115.25305	0.2
134.98784	0.2
225.16171	0.3
545.51416	0.2
602.59607	0.3
677.49792	7.8
678.50482	1.3
679.50531	0.4
722.39404	0.3
753.51202	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	755.2045
Annotation	Kaempferol 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
59.01375	1.1
60.16777	0.2
63.02395	1.0
63.33072	0.2
64.86079	0.2
65.00320	0.9
67.18922	0.2
71.75208	0.2
72.69045	0.2
77.83752	0.2
82.95419	0.3
83.01402	0.9
84.95087	0.3
92.11802	0.3
93.03450	0.5
107.01402	2.6
107.75793	0.2
109.02908	0.3
115.00367	2.3
117.03424	1.6
128.03627	0.3
131.98857	0.3
132.02168	1.5
133.01431	2.7
134.03735	18.8
135.00876	1.9
135.18874	0.2
136.12781	0.2
137.02382	0.4
143.05046	0.3
146.86566	0.2
149.06100	2.0
151.00374	3.9
152.01082	0.4
157.06570	0.2
159.04523	0.5
163.00346	1.3
164.01189	0.9
167.05048	0.2
169.01457	1.5
169.06625	0.4
171.04433	0.4
176.01143	0.3
178.02719	1.5
178.99872	1.3
183.04501	1.4
185.02518	0.3
185.06033	0.5
187.03979	1.1
189.05551	0.3
193.05063	22.1
199.04068	1.0
211.04033	1.9
213.05537	1.0
227.03523	43.9
228.04016	0.3
229.05051	3.8
239.03481	0.5
240.93652	0.3
241.05051	0.3
253.05009	0.3
255.03009	77.9
256.03677	5.5
257.04593	3.0
267.03055	0.4
271.02362	0.3
283.02435	2.8
284.03287	100.0
285.04047	23.1
286.04416	0.4
300.02817	1.0
309.03625	0.4
309.06674	0.4
327.05081	0.9
339.05014	0.3
438.38132	0.2
575.14069	1.0
744.65747	0.3
755.20465	45.9
756.20728	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	34.9
61.98841	7.9
71.01375	11.6
75.00857	40.1
81.92045	6.7
83.04993	8.9
88.03895	6.6
89.02410	7.9
94.68918	7.7
96.20197	6.9
96.32635	6.4
96.73183	6.3
116.92810	7.3
121.53554	6.3
255.13852	8.7
311.45828	6.3
525.25098	16.7
705.27625	76.4
755.26709	100.0
755.40460	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82035	0.5
59.01374	0.6
68.63056	0.5
71.01371	1.4
78.95898	59.0
80.19108	0.5
96.96951	8.7
105.82746	0.7
111.59839	0.6
150.98004	8.1
152.99583	100.0
171.00638	3.0
277.21725	48.6
289.78537	0.7
297.03751	1.2
297.12576	0.8
431.22073	2.8
477.09982	6.6
575.26440	7.7
755.32654	54.4
756.33057	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	755.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82975	0.4
59.01376	1.7
61.98827	0.8
71.01376	0.7
72.99301	2.3
75.00867	100.0
89.02451	2.0
101.02439	1.6
119.03487	0.6
125.05241	0.4
153.73564	0.4
281.24857	4.2
332.07089	0.5
397.13388	6.2
415.14697	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	755.5593
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07243	1.3
55.35388	1.1
55.53879	1.0
71.28171	1.1
72.86314	1.2
95.96556	1.3
127.38068	1.5
177.75484	1.4
202.95357	1.4
277.21667	8.9
320.42697	1.5
407.33252	2.2
423.02393	1.5
455.35330	100.0
456.35809	2.9
707.70026	1.5
755.55951	64.6
756.56665	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	757.342
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86203	0.5
59.01385	2.8
61.62947	0.5
71.01388	0.8
76.32104	0.6
78.18114	0.5
78.95900	59.7
85.52731	0.5
89.02442	0.7
93.47490	0.6
96.96949	9.5
125.86315	0.6
150.98001	8.3
152.99590	100.0
171.00613	3.0
203.48022	0.7
228.58307	0.6
231.60025	0.6
279.23294	57.9
280.23615	2.6
297.03748	0.9
420.81345	0.6
433.23682	1.2
477.10147	4.8
487.25003	0.7
547.18958	0.6
577.28027	7.4
598.28784	0.6
757.34241	45.7
758.34143	5.2
779.34021	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58357	0.6
56.90087	0.6
59.01374	0.8
71.01376	1.1
71.57068	0.7
78.95906	53.1
83.30396	0.7
89.37502	0.7
96.14273	0.7
96.96938	8.0
104.31293	0.8
108.24858	0.8
125.16895	0.7
150.98003	8.7
152.99594	100.0
171.00639	4.5
177.21300	0.8
241.00992	0.9
279.89038	0.9
281.24866	61.2
297.03851	1.0
315.05209	1.0
435.25031	1.4
477.10132	4.3
579.29559	6.5
759.35712	52.1
760.35980	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	761.4605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24614	0.2
58.02687	0.2
60.51712	0.2
61.10265	0.3
66.95911	2.2
80.91631	0.5
82.95417	100.0
84.41650	0.3
96.96021	0.4
121.02978	0.6
165.01955	0.3
166.72240	0.3
176.00494	0.3
208.87001	0.3
213.22133	0.3
391.17355	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	1.8
59.01387	100.0
59.01688	3.1
61.98817	10.0
67.30402	1.4
71.01037	2.2
71.01385	40.6
72.99307	3.4
80.72280	1.4
82.95426	2.8
85.02948	8.4
87.04514	9.8
87.92653	1.5
89.02444	44.8
96.96011	24.3
101.02426	2.8
101.06050	2.2
113.02476	4.9
113.06077	7.1
113.55322	1.6
121.02888	1.6
130.27322	1.6
131.03511	2.8
136.01701	2.5
149.04517	7.8
150.03204	6.7
151.04062	1.6
165.05565	3.0
169.37593	1.5
185.09776	2.0
187.11241	12.2
196.00494	1.5
227.84677	1.5
230.05891	1.6
251.09132	14.1
273.15033	22.1
372.06979	1.5
465.23035	2.1
509.21878	78.8
510.21832	2.4
527.22919	2.9
621.04791	1.8
645.59442	1.6
653.33069	1.9
665.38708	2.7
763.25690	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	763.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.0
58.00607	2.1
59.01389	100.0
61.98825	6.2
65.25484	0.8
71.01385	36.0
72.30284	0.8
72.99306	1.5
73.02954	1.1
78.95891	3.7
85.02968	7.1
87.04509	9.3
89.02441	37.0
89.26035	0.9
95.04984	1.1
96.96004	30.6
96.96926	3.3
101.02405	1.8
101.06106	1.9
109.06586	2.0
109.12765	1.0
113.02444	4.2
113.06081	9.5
119.28429	0.9
121.02946	1.9
123.00755	1.1
127.07658	2.2
131.03493	2.3
135.04489	1.5
136.01663	1.0
149.04543	4.9
150.03282	1.0
151.07741	0.9
157.06659	1.0
163.04028	1.2
165.05600	1.2
169.06599	0.9
172.78123	1.0
185.18068	0.9
187.11250	7.1
195.06566	1.5
213.08424	0.9
215.10948	1.0
245.15562	1.2
251.09212	17.2
255.13849	1.4
258.12543	1.5
273.14984	23.1
288.44394	1.0
337.04895	1.0
338.15036	1.8
339.16061	1.2
382.13608	1.1
382.21692	0.9
413.16141	1.7
414.41333	1.3
481.22696	1.8
495.91534	1.0
509.21902	75.7
510.22061	6.2
527.22766	2.2
546.45776	1.1
609.87640	1.1
665.39270	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	765.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.6
55.57019	0.4
55.88023	0.3
56.45222	0.3
57.03454	0.8
57.55367	0.4
58.00605	2.7
59.01389	100.0
71.01385	29.8
72.99313	3.3
76.44598	0.4
83.05036	1.0
83.34111	0.5
84.95141	3.9
85.02928	4.8
87.00872	35.8
87.04527	0.6
89.02441	39.7
93.05260	0.4
95.05040	0.8
97.02893	0.6
101.02432	2.0
113.02451	3.4
113.06094	4.0
119.03542	0.6
123.00894	0.6
131.03499	4.1
133.06630	0.5
135.04570	0.4
149.04523	7.6
158.07439	0.8
172.08949	6.6
173.09705	3.1
177.05646	0.9
184.27161	0.4
187.11295	17.7
188.76692	0.5
197.09796	0.5
199.11420	0.6
207.06764	0.5
220.20807	0.5
225.09135	0.5
239.14487	2.6
248.29230	0.4
251.09384	2.8
253.12483	0.7
257.15720	2.3
258.44162	0.4
307.13275	0.6
340.16974	1.1
341.17740	0.8
348.48154	0.5
367.15604	0.6
379.19400	1.8
382.14676	0.5
385.16882	0.6
395.18893	0.8
397.17081	0.6
423.18445	2.8
480.32913	0.5
483.24042	1.0
511.23428	61.6
512.23755	3.6
529.25220	1.9
571.25867	0.9
677.50397	2.0
691.26257	0.7
747.12622	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01279	6.6
59.01369	51.8
63.31499	6.9
71.01392	16.0
75.88177	7.4
79.70107	6.5
89.02428	42.2
101.02400	7.9
101.49750	7.8
113.02472	15.3
119.03461	9.1
125.13336	8.5
175.80023	8.4
182.65250	7.2
221.23517	9.0
254.03424	7.8
279.23376	18.5
326.26968	36.5
467.35977	8.7
730.55194	100.0
766.52063	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.4
60.81327	0.3
60.99312	18.3
64.22538	0.2
70.44496	0.3
70.47585	0.2
71.01376	1.6
83.05023	0.7
87.00875	9.2
88.00395	3.3
88.01227	1.2
88.04030	1.8
88.98802	100.0
89.02440	64.9
98.19625	0.3
101.35045	0.3
123.40602	0.3
130.87766	0.3
145.63762	0.3
175.37407	0.3
213.86858	0.3
225.16161	0.7
236.66367	0.3
348.78384	0.3
452.83829	0.3
513.25049	1.7
677.49786	7.6
678.50250	2.1
679.51318	0.4
767.52893	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45567	2.1
53.73214	2.1
54.31652	2.3
59.01393	76.2
60.85164	2.3
61.98835	44.8
63.25720	2.4
64.34361	2.5
64.68024	2.2
71.01390	39.8
72.99313	5.2
85.02972	5.6
89.02444	60.8
103.10671	2.5
113.02429	3.5
113.06075	5.0
131.03528	4.4
145.05247	2.4
149.04582	14.0
169.66591	2.7
172.08983	6.2
182.98302	2.4
187.11227	19.6
211.55807	2.7
350.92807	3.6
423.17926	3.8
493.23694	2.9
511.23453	100.0
512.13281	3.5
512.23419	6.2
583.20258	2.9
661.28613	4.1
691.60449	3.0
703.15320	3.1
768.26294	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	769.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06763	0.8
54.97281	0.9
55.15999	0.8
55.34642	0.9
56.97896	1.0
57.09354	1.0
59.01394	16.6
61.98835	5.8
71.01387	6.8
72.98222	1.1
75.00861	1.0
83.05030	1.5
84.20234	1.1
85.02941	1.8
89.02429	9.2
96.96013	1.4
109.06598	2.4
115.07664	7.9
125.02308	1.6
125.06165	1.1
126.71684	1.1
127.05308	1.0
141.09245	2.8
146.79008	1.3
159.08202	1.2
163.04037	1.8
165.05551	1.4
175.07613	11.5
177.40067	1.1
187.07602	1.5
187.96056	1.1
193.05136	4.5
199.07657	1.3
207.03090	1.3
217.08723	10.0
229.08580	1.5
255.13853	6.3
287.16681	1.3
294.02432	1.2
319.86600	1.5
481.22125	1.2
509.21765	1.5
532.50208	1.3
675.26605	7.1
704.34064	1.3
719.25726	100.0
720.25977	8.5
769.25305	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	771.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	31.0
60.51119	0.7
61.83484	0.7
66.17285	0.7
71.01377	16.3
79.84956	0.7
83.01401	0.9
83.16032	0.8
85.02947	3.9
87.00841	0.8
89.02436	17.8
96.96002	1.5
98.17101	0.7
101.02426	13.3
113.02433	8.3
119.03484	9.5
139.03989	3.1
149.04468	0.8
150.03204	1.3
151.04065	1.2
153.05565	1.9
154.02716	1.5
166.02711	6.6
167.03485	100.0
168.04083	1.0
177.02008	1.1
180.57103	0.8
181.05058	10.9
182.05849	32.1
195.03140	1.0
197.08180	0.8
207.02861	1.3
208.03926	0.8
223.06023	1.6
225.04167	1.1
226.04840	88.0
241.07193	85.2
242.07751	0.9
263.69144	0.9
323.13507	44.5
341.04312	0.9
367.16125	4.2
377.68478	0.9
403.12589	54.2
404.12869	0.9
521.19250	0.8
727.96002	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
70.89632	0.1
73.02939	0.6
75.00873	0.1
78.95887	0.4
84.70305	0.1
89.02463	0.2
96.95979	0.1
99.00881	0.1
99.92585	7.4
114.93400	0.4
116.92865	100.0
116.97233	2.5
117.01939	0.6
117.88844	0.1
117.92864	2.4
152.99617	0.4
240.72026	0.1
246.51033	0.1
247.87750	0.1
255.23212	0.1
267.88300	0.1
313.19156	0.2
771.38641	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
57.03449	0.8
57.97566	0.5
58.00594	2.4
59.01387	72.7
71.01386	34.9
72.99305	3.2
73.02927	0.7
83.01405	2.0
84.02158	0.6
84.04476	0.4
85.02953	6.8
86.06123	0.8
87.00862	0.5
87.05418	0.4
88.04009	0.6
89.02446	36.1
93.60828	0.3
95.01379	2.5
96.04552	0.6
96.28771	0.4
101.02444	21.3
112.07668	0.6
113.01713	0.8
113.02458	14.7
119.03506	16.5
131.03499	0.9
143.03510	2.5
149.04504	0.7
161.04568	3.4
168.29135	0.4
171.15927	0.4
174.82124	0.4
179.05647	6.7
188.57233	0.4
222.50600	0.5
223.20818	0.7
225.22278	15.3
237.22316	1.9
253.21738	4.3
266.24765	0.7
270.24234	0.8
271.22742	4.8
278.25009	5.4
296.25974	5.3
306.24289	0.8
328.30692	0.5
330.62708	0.4
410.69281	0.4
515.52917	0.4
532.47437	25.7
533.47620	0.8
550.48309	10.6
551.48834	0.7
712.53796	100.0
713.54022	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	772.5588
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97799	1.6
59.01115	2.6
59.01384	58.4
71.01382	32.6
72.99313	2.0
76.45476	1.7
85.02947	7.2
85.81219	1.6
89.02441	36.7
95.01386	2.4
95.49812	1.9
101.02444	22.0
106.57114	1.8
113.02425	12.2
116.92786	1.8
119.03508	12.2
121.00398	1.6
123.42400	1.7
133.94673	1.8
159.68794	1.8
177.62074	1.6
179.05612	8.8
225.22313	15.3
253.21643	2.5
278.24854	7.1
296.25858	3.1
532.47504	25.0
550.48370	9.7
644.30084	1.9
712.53754	100.0
713.53778	8.6
730.73199	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	775.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02991	0.8
59.01385	0.7
62.29930	0.4
66.03453	0.4
67.03027	0.6
69.03458	0.5
70.02977	1.1
71.01363	3.3
72.00901	2.1
72.62429	0.4
73.04044	0.8
74.02466	0.8
77.77760	0.5
81.53987	0.4
82.02983	10.9
84.04549	2.3
88.04084	0.5
92.12361	0.6
93.03442	3.5
96.96010	0.5
98.02508	0.9
99.02010	4.3
101.07200	7.8
102.05580	0.5
105.48050	0.5
106.04223	0.6
107.02493	2.1
107.05035	1.3
109.04073	25.8
110.02438	0.8
111.02020	3.5
111.03202	0.9
111.05617	0.9
112.04029	5.1
113.03613	0.6
113.07215	7.7
114.05575	3.7
115.00338	1.2
116.05045	5.4
118.06617	7.9
119.05024	22.6
121.02944	0.6
123.03214	0.6
123.05618	1.0
124.04029	0.6
125.03503	0.8
126.10265	0.5
127.05128	100.0
128.03531	82.1
133.01460	2.3
133.05325	3.1
134.06123	8.4
136.04053	0.7
136.07698	1.9
136.11325	0.6
137.03590	0.6
139.05145	2.7
140.07162	5.1
141.06709	9.7
146.06175	0.7
153.06679	2.2
158.06148	1.0
162.06717	0.6
163.04039	8.4
165.05344	0.7
167.04668	0.9
171.07785	0.8
174.05536	0.7
179.11917	2.4
180.06667	27.0
180.10228	5.4
185.05661	7.3
186.05670	0.6
186.09224	2.4
187.05148	7.0
189.06670	3.3
195.07970	0.9
195.11320	0.7
197.12973	0.7
201.06680	0.9
202.08774	0.6
209.12903	1.1
211.08846	2.0
212.07149	3.0
214.08717	0.6
215.11906	2.4
219.11374	2.0
221.12994	2.8
222.12527	6.4
223.10910	7.0
224.10783	0.7
229.09871	3.3
230.08257	2.4
231.07721	1.0
234.12828	0.6
240.11430	4.4
240.13379	1.5
241.09825	0.9
245.09261	1.9
247.10860	17.5
254.09262	0.9
255.08093	0.5
264.10132	0.8
265.11920	3.1
280.10733	1.2
291.09888	84.6
293.16553	1.1
309.10898	2.9
310.16022	0.7
310.19254	3.6
319.17874	0.7
320.16049	0.6
326.15155	0.7
331.14600	2.3
349.15817	0.9
352.12634	0.8
375.13351	1.3
388.19455	0.5
419.12692	0.8
421.22672	5.3
551.21527	7.3
677.29492	0.7
757.31891	2.1
775.33160	79.7
776.33752	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
60.52525	0.2
78.95901	15.2
79.95747	1.9
96.96006	100.0
96.96931	24.0
116.14303	0.2
168.71675	0.2
312.32449	0.2
706.72675	0.2
744.91022	0.2
775.47473	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	775.5335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59709	0.5
54.60395	0.6
55.64717	0.5
56.44900	0.5
61.98842	100.0
63.78139	0.6
65.08181	0.5
67.05886	0.6
81.70477	0.7
92.82670	0.5
115.46945	0.6
121.44051	0.6
155.34497	0.7
235.27039	0.7
397.09180	0.7
443.04196	0.8
517.44336	0.7
809.24298	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82661	0.1
59.01386	0.6
61.98835	100.0
70.85842	0.1
71.01383	0.1
71.92686	0.1
81.18790	0.1
81.19321	0.1
85.40958	0.1
89.02467	0.2
148.32048	0.1
336.40393	0.1
654.45581	0.1
714.53912	0.1
715.54803	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82333	0.6
55.01896	0.8
58.00588	1.0
59.01394	100.0
60.01718	0.6
65.01998	0.6
71.01387	27.8
72.99306	1.3
78.87206	0.6
83.05011	1.1
85.02949	4.9
88.49454	0.5
89.02442	33.4
92.19241	0.7
95.05001	0.8
97.02903	0.6
101.02454	0.7
109.06608	5.9
113.02444	3.5
113.06094	8.2
115.07651	7.1
131.03503	3.4
133.06602	0.6
135.04518	0.9
136.97223	0.6
141.09227	13.7
145.06575	3.8
149.04541	5.9
149.06117	0.6
165.09167	0.8
171.08192	1.3
185.09691	4.9
199.07733	0.7
200.58121	0.7
211.07658	5.1
212.08287	0.9
225.09326	0.8
237.09424	0.8
239.10799	2.6
240.11525	4.6
241.08621	0.8
251.06940	1.1
251.09225	14.8
254.09355	1.3
255.13914	27.1
265.08707	1.0
287.16504	15.6
305.11951	0.7
345.48410	0.6
352.16763	4.1
353.17657	4.5
367.15518	1.0
382.14215	2.9
413.16077	1.0
447.21637	1.2
479.24258	5.9
495.23886	3.7
523.23438	70.5
524.23633	5.0
541.24542	1.3
703.26282	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78278	0.8
58.00590	4.5
59.01389	84.4
61.28699	1.0
61.98841	10.1
71.01385	56.9
72.99297	5.1
73.02959	1.8
74.07925	0.9
84.24961	1.1
85.02947	4.5
89.02443	100.0
96.95989	2.5
101.02427	2.6
113.02450	1.9
119.03459	1.6
122.41212	1.1
131.03517	8.9
134.03691	1.2
144.82993	1.3
145.02972	2.2
145.84927	1.2
146.03705	1.9
149.04564	25.3
150.03157	1.6
161.02426	2.6
162.03246	45.5
177.05577	17.7
182.05815	1.2
183.24623	1.0
195.06651	1.5
219.06662	4.7
242.09364	1.2
257.11887	1.2
270.08954	4.6
285.11447	5.8
286.08450	1.8
298.08508	1.5
299.09348	5.3
313.10791	1.3
314.08023	4.9
326.08084	1.4
329.10410	13.8
341.10385	17.8
344.12732	18.4
356.12659	6.8
357.13297	1.5
358.14102	1.8
359.15112	25.5
371.15170	13.0
442.88834	1.4
527.69104	1.4
535.61261	1.2
569.23779	4.9
609.23431	9.7
639.24835	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	777.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
63.08133	0.1
67.05647	0.1
69.00801	0.1
73.02951	1.4
75.38541	0.1
94.92501	0.1
97.93125	0.1
99.00842	0.2
99.92577	10.7
114.93392	0.6
116.92854	100.0
117.01928	1.9
117.03357	0.1
117.92867	1.6
120.30517	0.1
139.16788	0.1
145.02974	0.8
146.40988	0.1
228.90932	0.1
659.39349	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78656	0.1
61.98830	0.1
73.02934	0.7
78.95889	0.1
82.35522	0.1
92.12463	0.2
94.92509	0.4
99.00869	0.1
99.92580	9.8
101.87307	0.1
114.93419	0.8
116.92860	100.0
117.01906	0.9
117.03404	0.2
117.92876	1.6
145.02942	0.8
152.99564	0.1
205.12370	0.1
219.11784	0.1
220.13960	0.1
590.08392	0.1
659.39618	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
55.93643	1.4
58.00596	2.8
59.01387	69.0
60.66643	1.4
61.98825	12.9
71.01381	51.6
73.02956	15.0
83.01404	4.1
85.02940	11.8
87.00897	1.9
89.02441	79.7
96.96004	39.0
96.96962	2.4
97.02916	1.8
97.96943	1.6
99.00876	39.5
101.02440	33.4
107.90649	1.7
113.02457	14.9
119.03477	6.6
125.02483	6.8
131.03493	9.5
144.05907	1.6
149.04584	11.2
161.04593	2.3
171.55757	1.9
191.05650	7.8
195.06647	1.8
208.77498	1.7
334.94412	1.8
335.80692	1.5
382.25980	1.7
523.23230	2.6
777.39331	100.0
778.40540	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	779.296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.7
67.56965	0.3
71.01392	0.5
72.00906	36.6
74.02468	16.0
79.30901	0.4
82.02992	0.4
92.65633	0.3
100.00401	83.4
100.03389	0.7
100.04028	8.8
100.10221	0.4
118.05093	100.0
119.05389	0.5
134.04723	2.3
144.03027	70.7
145.03349	0.5
160.02634	7.9
177.01941	0.6
181.92993	0.4
392.49625	0.4
392.54880	0.4
395.97751	0.4
411.12775	29.7
412.12845	1.5
680.54639	0.5
708.91779	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99792	1.7
57.82372	1.7
58.00598	2.4
59.01386	100.0
61.98826	8.4
67.01888	2.0
71.01383	39.2
71.35593	1.9
72.99303	2.9
83.05030	7.3
85.02956	8.5
87.04498	2.4
89.02442	43.2
92.11736	2.7
95.05027	11.9
97.02975	1.9
109.06599	8.1
111.90267	1.9
113.02473	2.3
113.06067	14.1
115.07640	25.2
121.02934	4.1
121.06601	3.2
123.04530	1.8
124.01596	3.5
124.67252	1.7
131.03496	3.1
135.04457	2.0
137.06010	2.5
141.09204	21.5
144.46758	1.8
145.06569	3.4
146.07535	1.7
147.08200	2.0
147.95468	1.9
149.02495	3.1
149.04532	8.1
150.03227	10.7
151.03958	3.6
152.41673	2.0
152.88760	2.2
159.08171	3.3
161.06058	4.5
165.05455	3.9
175.07584	2.7
175.19844	1.9
177.05484	2.1
179.07137	2.4
185.06142	1.9
185.09689	3.2
211.07613	3.5
225.09352	4.4
237.07672	4.3
239.10683	2.7
240.11569	3.2
255.13979	21.7
273.45734	2.2
287.16458	7.4
293.12000	3.0
305.15292	2.4
306.07477	2.5
348.10834	2.2
387.14697	2.1
397.16516	13.8
399.18039	12.2
409.20523	2.2
449.23221	2.5
489.23242	3.0
497.25894	4.3
507.23608	4.2
524.15741	2.3
525.24994	90.2
526.25244	11.5
543.26068	9.4
643.27893	2.5
687.26666	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	46.5
61.01464	1.5
61.98835	27.4
63.13438	1.4
66.54934	1.4
67.07832	1.4
68.73201	1.5
70.38171	1.4
70.98399	1.7
71.01385	24.7
72.99355	1.9
75.32375	1.7
85.02937	2.9
86.29440	1.5
89.02453	30.4
101.02417	2.6
110.62760	1.5
113.02417	2.2
113.06072	3.9
115.07658	3.2
121.05452	1.5
128.62531	1.8
131.03500	4.1
141.09225	11.3
144.39078	1.6
149.04552	7.6
149.53685	1.7
185.09779	2.7
240.11594	2.6
245.17137	1.6
247.06949	1.7
251.09273	9.0
255.13977	20.2
287.16687	7.7
382.14279	2.5
413.16446	2.9
431.56796	1.7
446.09961	1.9
479.24356	2.9
523.23389	100.0
541.24298	3.3
703.26337	2.3
726.70355	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	781.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
61.64792	0.1
69.45009	0.1
73.51284	0.1
78.95898	43.2
83.42455	0.1
89.02480	0.1
96.96053	6.1
96.96951	100.0
98.38522	0.1
99.90703	0.1
126.83548	0.1
153.72327	0.1
193.25261	0.1
225.98688	0.1
247.40326	0.2
337.30621	0.1
341.11108	0.2
379.27856	0.1
416.60330	0.1
439.08612	26.1
440.08853	1.0
469.12070	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	783.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51225	2.2
59.01394	55.8
61.98851	10.7
71.01393	14.2
89.02443	3.9
96.96008	3.8
101.02416	4.5
115.07638	3.0
141.01741	23.8
141.09373	3.2
149.02422	3.9
150.03262	4.6
161.69139	3.2
165.05475	4.0
195.06676	3.8
244.57346	2.9
247.68803	3.1
421.23395	3.6
689.28815	3.4
733.27161	100.0
734.26837	9.5
783.26556	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82739	0.8
55.01869	1.2
57.03456	1.1
58.00602	3.8
59.01391	92.8
61.98837	2.4
69.03437	1.4
70.32808	0.8
71.01383	39.4
71.85993	0.8
72.99306	2.3
79.31262	0.8
80.23002	1.0
83.01392	1.3
85.02954	8.4
85.35635	1.2
89.02445	57.2
95.05023	1.3
96.95992	7.6
101.02444	1.7
113.02457	5.1
113.06097	10.8
115.64732	1.0
121.03008	1.4
128.03546	1.3
131.03488	4.8
133.06583	1.1
149.02495	1.1
149.04552	10.8
158.07278	1.1
161.95674	1.0
165.05591	1.8
172.08945	13.8
173.09697	4.3
185.09669	1.7
187.11296	34.0
188.11636	1.0
239.14430	8.8
251.09245	4.7
253.12454	2.1
257.15561	5.6
269.63074	0.9
286.47098	1.1
291.13846	1.4
340.16769	1.2
379.19434	3.3
395.18579	1.5
423.18369	4.5
499.23322	1.3
511.23434	100.0
512.23840	2.0
529.24243	6.1
571.25549	2.1
584.08490	1.1
661.28424	3.7
765.29456	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.151
Annotation	FAD
Peak:m/z	Relative Intensity
59.01386	3.8
64.16364	0.3
64.84629	0.3
71.01379	1.6
78.95899	100.0
86.29280	0.3
89.02448	2.2
96.96951	66.8
101.02463	0.8
111.08148	0.5
113.02438	0.4
119.03502	0.7
134.04710	8.6
138.98019	1.4
150.98035	0.7
153.24599	0.3
156.06676	0.6
158.92545	10.2
162.98026	4.5
173.08240	0.7
174.98050	0.8
176.93602	1.4
177.01967	1.7
180.99077	7.6
195.00648	3.0
198.06770	1.5
211.00223	0.7
212.08350	1.7
241.07336	4.5
255.08916	3.9
272.95779	2.4
295.28339	0.4
295.42865	0.3
323.13510	3.9
324.13879	0.6
328.04868	0.4
346.05609	15.0
408.01230	2.1
437.02744	0.8
437.08746	24.9
438.09058	0.5
517.05469	1.3
580.77997	0.4
784.14862	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	785.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83029	0.3
61.01402	0.2
62.19326	0.2
78.95909	0.5
85.27599	0.3
93.53280	0.3
114.21552	0.3
120.02125	1.0
121.02950	100.0
122.03285	1.0
127.08049	0.3
129.36125	0.3
131.59486	0.3
152.99582	0.3
165.01945	1.5
180.05835	0.3
181.06599	2.8
182.82626	0.2
191.03468	1.2
201.51561	0.3
209.04572	36.7
210.04964	1.1
225.05525	2.8
251.78513	0.3
313.07184	4.9
339.32364	0.3
357.06320	1.2
401.08817	7.3
519.60229	0.4
549.10925	0.4
746.37439	0.3
785.17511	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2157
Annotation	Isorhamnetin 3-(4Rha-galactosylrobinobioside)
Peak:m/z	Relative Intensity
59.01380	1.5
61.20457	0.2
63.02400	1.2
65.00320	1.5
71.01376	0.4
83.01385	1.4
89.02448	0.5
89.20089	0.3
93.03467	0.4
99.84397	0.3
101.02436	0.3
101.03989	0.4
104.24823	0.2
107.01394	3.3
124.01647	0.5
128.49660	0.2
134.03708	0.6
135.00917	0.3
137.02429	1.6
143.05061	0.9
145.02968	1.1
148.01602	0.3
150.03201	1.2
151.00375	11.2
152.01141	0.3
155.05067	1.2
155.10823	0.3
159.04489	0.3
161.02504	0.3
163.00385	0.4
164.01137	0.5
165.05496	0.5
167.04982	0.5
169.01451	1.6
169.02899	0.3
171.04506	1.7
175.03986	0.5
178.99886	2.4
183.04527	2.9
185.02438	1.1
187.04007	2.2
193.05058	1.0
199.04012	9.1
201.01912	1.8
203.03503	1.8
211.03963	1.6
215.03549	4.5
226.02686	1.0
227.03528	11.5
228.04108	0.5
229.01360	0.5
242.02223	8.1
243.02991	42.9
244.03598	1.8
254.02130	0.3
255.03000	19.3
256.03546	1.1
257.04602	6.2
270.01752	6.6
271.02496	56.0
272.03192	2.7
283.02432	0.5
285.04089	11.6
286.04865	3.7
287.05637	1.6
298.01260	0.4
299.01996	100.0
300.02747	21.5
301.03168	0.3
313.03555	4.2
314.04361	84.3
315.05133	28.3
316.05560	0.4
324.02716	0.4
339.05029	1.0
356.05502	0.3
357.06305	0.6
403.19415	0.4
605.15533	1.4
623.16345	0.5
785.21570	76.2
786.21991	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	788.5534
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77733	1.9
58.58589	1.8
59.01373	14.7
59.24066	1.7
60.45105	1.8
64.34285	2.2
66.34222	2.6
71.01369	4.6
71.45281	2.0
72.99315	4.6
74.54089	1.8
75.00867	100.0
89.02421	10.2
93.21026	2.0
101.02465	2.9
120.73711	2.3
120.77740	2.3
132.54900	2.6
168.76181	2.3
179.05515	2.4
278.24860	3.6
423.67523	2.5
525.81226	3.1
532.47784	3.2
712.53845	48.4
773.30493	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	790.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	5.0
59.01354	0.4
66.03458	0.5
66.65508	0.5
70.02980	1.2
72.00886	2.4
73.04067	36.0
74.02457	2.4
76.57543	0.5
80.05051	1.8
83.02493	1.0
84.00898	1.0
85.04047	2.7
86.02454	0.7
87.05620	1.0
91.05527	3.6
95.02492	8.3
97.04060	5.6
98.02468	3.2
99.01431	0.6
99.02001	9.0
101.03603	0.6
108.08166	0.7
109.04076	0.5
110.02445	0.5
111.01997	7.2
111.05612	0.9
111.07091	0.4
112.05161	9.2
112.07703	0.5
113.03568	6.9
113.07207	27.8
114.05598	2.1
115.05123	43.8
118.06638	4.5
123.05602	0.5
124.05138	0.5
125.03548	8.2
125.07201	3.0
126.01987	0.6
127.05109	3.1
127.08720	0.7
129.10332	4.1
130.06209	14.1
130.08733	1.1
137.07216	0.9
139.08745	1.9
140.07176	6.0
141.10341	3.2
142.06245	0.8
147.04518	11.0
151.07620	0.7
151.08800	0.9
152.07170	2.8
152.08270	0.7
153.06683	13.9
153.10283	0.8
155.08205	1.1
160.07655	0.5
164.07169	23.1
166.09895	0.6
167.04596	2.1
167.11896	2.5
168.11403	3.0
169.09842	1.1
170.09348	16.6
171.07753	2.5
175.08740	1.0
177.10327	11.3
178.06073	0.6
178.09808	0.7
180.11363	0.9
181.09904	0.8
182.09352	2.6
183.11411	1.1
184.10886	4.2
186.12489	3.8
189.10324	7.7
191.11975	0.7
195.11346	0.8
195.14981	0.7
197.16606	1.0
203.08308	2.7
207.14993	1.8
208.13409	1.1
209.10452	46.7
209.12749	2.3
210.08871	0.8
210.10841	0.6
210.12532	5.9
211.10895	2.1
215.08286	0.7
217.13441	1.9
221.09163	8.9
222.08934	2.2
224.10461	1.0
224.17712	1.0
225.16109	4.7
226.15596	0.6
226.96509	0.5
227.11499	23.9
228.13559	3.0
233.09314	1.1
234.12418	1.1
238.19266	3.7
242.18767	1.1
251.10379	2.3
260.10495	0.9
263.93253	0.5
272.10440	1.0
273.11136	2.9
274.12411	0.6
274.15576	3.4
280.20306	5.8
281.19772	0.7
299.20868	0.6
317.10251	2.3
323.20905	2.2
331.17801	27.0
339.23996	0.8
341.21872	3.2
342.20496	0.6
343.17679	2.0
349.82227	0.5
375.16745	15.2
375.21216	0.7
387.16995	0.7
405.17654	1.0
420.26251	3.6
435.18668	1.0
438.27176	6.8
450.27161	0.8
496.28656	0.7
577.30389	0.7
595.30884	1.0
700.36823	1.2
730.38025	4.7
742.37842	2.4
760.38947	22.3
769.74835	0.5
772.39252	6.4
773.39624	0.6
790.40002	100.0
791.40430	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.9
56.13445	0.8
57.03451	1.3
57.68980	0.7
58.00601	4.4
58.36501	0.8
59.01388	85.4
61.98836	1.7
64.70202	0.9
69.03469	1.1
71.01385	39.5
72.99307	4.7
75.00874	3.6
75.35680	1.0
85.02946	6.0
87.04525	1.3
89.02445	62.7
95.05025	1.8
96.96005	1.4
97.06550	1.0
101.02448	1.4
110.17644	0.9
113.02452	6.3
113.06081	12.3
131.03514	5.0
133.06604	1.5
135.04552	1.6
149.02417	1.0
149.04544	11.0
172.08932	15.0
173.09721	5.8
185.09659	1.1
187.11298	36.6
199.11290	1.0
225.09145	1.3
239.10835	1.3
239.14450	5.7
251.09262	5.8
253.12364	1.5
257.15518	5.3
265.12408	1.0
275.16876	1.4
279.10257	1.1
340.17050	1.4
367.15414	2.1
379.19241	1.3
385.16479	1.2
423.18005	7.2
483.23886	2.0
511.23441	100.0
512.23816	9.1
529.24445	7.4
539.00934	1.2
571.25598	1.5
601.26178	1.2
661.28851	3.7
737.73639	1.2
818.87012	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	4.5
59.01392	100.0
61.98842	11.4
67.01895	7.9
69.03475	1.2
71.00996	1.8
71.01389	49.5
72.01674	1.0
72.99312	5.0
81.03456	1.1
83.05027	7.2
85.02960	6.3
89.02444	59.0
92.11744	1.2
93.03450	4.5
95.01353	2.4
97.02940	4.7
99.04543	8.5
101.02441	2.4
107.05013	2.4
109.02982	1.7
109.06596	12.1
113.02440	4.8
115.07640	17.7
119.05018	5.4
121.02954	6.8
121.06612	1.7
123.04507	2.0
125.02485	1.8
125.06110	1.9
127.00414	1.4
131.03488	6.4
131.05009	1.3
135.04549	2.6
137.02469	2.0
138.54988	1.2
139.04041	2.1
141.09229	20.6
145.02975	2.5
145.06609	5.0
147.04539	6.8
149.02423	6.5
149.04564	11.0
149.06041	2.0
150.03194	2.0
151.03989	5.7
151.07697	2.1
153.05588	1.5
159.08148	2.7
161.06082	2.0
162.43880	1.2
163.04012	2.7
165.05554	2.3
165.09204	2.0
173.06120	1.2
175.04012	1.3
175.07631	9.3
177.05588	4.2
177.09207	1.9
179.03528	6.4
185.09671	7.9
187.07716	1.7
193.01369	7.9
193.05083	2.2
198.15582	1.3
211.07700	7.3
213.09299	1.3
215.10793	1.5
217.08702	15.1
221.04536	10.9
225.94847	1.1
237.05583	1.8
237.07617	14.3
239.10709	1.5
240.11494	8.1
243.10371	1.4
251.05521	6.5
253.08742	1.9
253.12405	1.4
255.13930	26.2
277.12415	1.6
285.07523	2.1
287.16544	14.6
295.09857	1.3
297.14807	1.4
300.10291	1.8
329.17618	7.4
337.14816	2.0
352.16837	2.1
353.17651	6.5
367.12146	1.5
368.12668	1.9
381.13556	1.4
399.14496	23.0
433.20428	2.1
463.21317	12.5
465.23148	8.6
477.19550	1.6
481.22455	2.6
495.20035	1.5
507.20349	2.0
509.21817	89.3
510.21985	2.6
527.22900	11.2
539.23108	24.7
540.23419	2.4
569.23920	2.2
719.25739	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	793.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98404	0.1
59.01390	0.6
73.02947	0.7
76.58125	0.1
80.96263	0.1
99.92580	6.8
114.93384	0.5
116.92857	100.0
116.97211	2.9
117.01909	0.8
117.92874	2.1
140.56227	0.1
151.57300	0.1
173.03461	0.1
292.01505	0.1
295.36307	0.1
335.17636	0.3
376.90262	0.1
384.91748	0.1
416.44427	0.1
473.10544	0.1
557.96307	0.1
591.94916	0.1
595.75061	0.1
690.93982	0.1
697.33478	0.1
713.81329	0.1
775.26685	0.1
819.10846	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65639	0.1
59.01375	0.4
73.02944	0.9
85.56004	0.1
88.13799	0.1
99.00867	0.2
99.92579	6.7
114.93420	0.4
116.92857	100.0
116.97240	4.9
117.01946	1.2
117.92864	2.0
277.21844	0.1
335.17590	0.8
366.51703	0.1
473.10535	0.1
483.31317	0.1
558.71198	0.1
733.45416	0.1
754.54742	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.2
64.39700	0.1
78.95877	0.2
99.92579	8.3
114.93427	0.8
116.92854	100.0
117.01931	0.2
117.92865	2.1
137.73892	0.2
145.02963	0.8
152.99603	0.3
166.37451	0.2
198.65453	0.2
273.56116	0.1
675.40192	0.3
691.47028	0.2
733.34839	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	0.8
59.01389	30.8
61.98836	0.5
68.81483	0.3
71.01389	16.1
72.99319	1.2
73.02949	1.8
74.02462	0.5
83.01389	1.8
85.02968	3.8
89.02448	16.9
95.01363	1.2
95.44005	0.4
96.96051	0.5
99.00902	0.4
101.02444	12.0
113.02457	7.6
115.33287	0.3
119.03481	5.2
127.05145	0.5
128.74327	0.3
130.08746	0.4
137.02443	0.6
146.03790	0.5
149.02429	0.9
149.04530	0.5
150.03236	0.8
152.01143	0.4
161.04553	0.4
162.03191	0.7
164.04814	0.8
165.05548	1.4
177.05566	0.7
179.05629	1.6
179.07106	0.7
179.14441	0.5
200.13081	0.4
225.14969	15.5
243.16052	1.6
312.10062	0.6
337.26248	0.4
377.18265	0.8
387.19916	0.4
403.19604	1.6
404.20114	0.8
405.21332	100.0
406.21719	3.5
418.45578	0.4
451.17194	1.9
505.17847	0.5
700.46729	0.5
708.42194	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00615	0.9
59.01394	73.9
61.98839	1.6
69.94472	0.7
71.01393	31.8
72.99317	1.8
83.05021	5.4
85.02947	5.0
89.02454	40.7
92.12295	1.4
95.05012	1.6
96.96013	1.5
101.02445	1.4
107.04996	0.8
109.06600	11.5
110.79964	0.7
113.02436	3.0
113.06078	12.8
115.07650	13.9
121.02944	1.0
121.06593	1.2
131.03496	4.9
133.06609	1.9
135.04568	1.7
141.09235	24.5
145.06598	7.4
149.04549	6.9
149.06128	1.3
150.03214	0.9
151.18140	0.7
159.08154	1.8
163.04060	1.8
165.05586	1.8
165.09254	1.2
177.05577	1.1
183.08057	1.1
185.09697	10.1
188.12135	0.8
207.06685	0.8
210.06906	0.9
211.07658	9.8
212.08318	1.2
212.12177	1.2
222.10481	0.9
225.09177	2.0
239.06964	0.9
239.10747	3.2
240.11549	9.8
251.06914	1.4
251.09251	19.6
254.09416	3.3
255.13937	50.9
256.14297	1.7
259.13379	1.1
287.16550	21.8
305.11917	0.9
329.26425	0.9
352.16931	6.6
353.17609	5.0
367.15552	1.2
382.14346	3.7
391.19534	0.9
447.22031	1.5
479.24484	5.7
495.24075	3.3
523.23480	100.0
524.23529	9.1
541.24506	4.2
583.25128	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.1
64.34063	0.0
73.02952	0.5
99.00847	0.2
99.03502	0.0
99.92587	6.7
100.92587	0.2
114.93420	0.6
116.07151	0.1
116.92860	100.0
116.97218	0.9
117.01930	1.0
117.92871	2.8
117.93556	0.1
337.19080	0.1
340.08444	0.1
386.58557	0.1
397.13870	0.1
739.58875	0.1
773.82068	0.1
789.19049	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	795.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64680	0.1
58.68728	0.1
59.01385	0.3
65.44280	0.1
67.93166	0.1
69.61038	0.1
70.00027	0.1
73.02953	1.0
73.60693	0.1
75.00866	0.1
84.65025	0.1
99.00874	0.5
99.92585	7.5
102.06612	0.1
114.93430	0.5
116.03565	0.1
116.92862	100.0
116.97228	1.9
117.01939	1.4
117.92863	2.0
118.55778	0.1
173.97548	0.1
191.29207	0.1
317.11899	0.1
337.19058	0.1
349.68719	0.1
430.18207	0.1
439.42474	0.1
455.05353	0.1
626.91663	0.1
631.28033	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	795.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.91271	0.6
68.99556	0.9
71.01386	4.9
89.02440	2.6
90.93343	1.3
97.93113	2.6
101.02425	3.4
111.40853	0.6
114.93401	49.1
115.00346	1.3
116.92886	0.8
117.53578	0.6
125.02409	0.7
141.01703	35.1
186.71729	0.6
255.23277	8.9
337.23584	3.3
349.87521	0.8
397.13464	10.1
415.14471	1.0
419.11798	1.4
437.12619	3.5
453.05612	0.8
496.91479	0.7
499.38135	0.8
653.37244	0.9
675.35236	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	795.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.0
59.27732	0.2
63.29647	0.2
71.01385	0.3
73.02945	5.1
75.00871	1.0
83.05053	0.8
89.02409	0.4
99.00855	2.5
99.92577	6.1
109.23363	0.3
114.93414	0.4
116.03529	0.4
116.07182	1.7
116.92854	100.0
117.01932	10.4
117.05530	0.3
117.92867	1.6
120.75573	0.2
154.94122	0.2
159.13440	0.2
181.30652	0.3
256.51395	0.3
296.34467	0.2
437.57397	0.3
677.49683	1.9
678.50531	0.3
713.47614	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.4
61.98833	100.0
67.71311	0.6
71.01389	1.0
72.84395	0.6
105.16440	0.7
128.03561	0.7
144.32150	0.7
179.75674	0.7
238.11993	0.6
336.62616	0.6
382.08884	0.7
652.60333	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.1
69.27360	0.1
73.02946	0.5
92.12422	0.2
99.00861	0.2
99.92588	7.2
114.93424	0.5
116.92860	100.0
116.97231	1.5
117.01927	1.0
117.92868	2.3
128.27744	0.1
173.00676	0.1
219.44778	0.1
339.20932	0.1
397.14026	0.1
399.28638	0.1
617.74939	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	797.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.5
61.98837	0.1
64.92810	0.1
66.89986	0.1
71.01389	0.1
73.02958	1.1
85.65264	0.1
92.64900	0.1
99.00882	0.5
99.92580	7.6
100.92630	0.1
100.93346	0.1
110.24125	0.1
114.93428	0.6
116.03496	0.1
116.92855	100.0
116.97225	1.4
117.01929	1.7
117.02737	0.1
117.92855	2.1
119.51180	0.1
238.76169	0.1
281.24994	0.1
339.20654	0.1
397.13980	0.1
455.05524	0.1
479.94321	0.1
565.39648	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	797.5539
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59708	3.9
59.01398	38.3
62.37929	3.3
70.24281	4.4
71.01385	15.9
82.94963	6.6
82.95427	100.0
83.02522	9.0
84.00925	70.1
84.95130	18.8
89.02448	17.4
101.02448	9.4
110.98532	4.5
119.03477	5.9
134.29518	3.8
168.40854	4.3
225.22287	9.4
277.21677	5.1
278.21960	6.8
279.23288	65.6
280.02216	4.3
280.23669	19.8
303.45438	4.8
316.02716	4.1
398.26730	4.1
532.47412	24.4
550.48242	6.4
632.74976	4.4
685.48163	4.4
708.46295	6.9
712.53729	65.7
713.54034	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	801.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	2.3
59.01387	2.6
61.23005	1.2
66.03477	1.8
71.01357	2.1
73.04073	6.4
74.02465	6.7
74.43990	1.4
82.02991	1.9
84.00903	8.4
87.05624	13.4
88.03533	2.9
88.04036	65.3
98.02453	1.8
101.07197	27.6
109.04055	11.1
110.02460	7.4
112.04065	2.0
113.03574	1.9
115.08747	17.5
116.07173	1.7
125.07165	6.8
126.05593	6.8
126.06732	10.1
127.05131	50.6
127.08755	7.5
128.03511	20.8
129.06711	21.9
129.10391	1.7
137.07184	1.8
138.05624	7.7
139.08714	2.1
141.06705	5.9
144.07762	15.8
145.06204	26.0
150.03250	2.9
153.06754	1.6
154.09875	7.2
155.08278	13.6
165.05522	10.3
165.10327	8.9
166.08714	7.2
168.07860	6.7
169.07675	1.8
169.13449	2.3
172.10963	5.9
173.09329	1.8
179.30028	1.5
180.07805	3.3
181.06255	2.8
181.09837	3.6
182.12987	2.5
183.06602	1.9
183.11340	3.8
186.08853	6.3
187.07356	1.6
196.10928	2.5
197.10500	3.5
198.08823	2.4
200.14084	32.9
208.10922	91.0
209.09311	11.2
212.10445	2.9
226.11986	73.9
228.17090	3.3
239.11519	3.1
244.13031	12.3
257.12506	7.4
264.17044	2.3
280.16736	14.8
283.14163	1.6
297.15475	2.6
299.20953	3.8
307.17752	1.8
321.19424	2.5
325.18915	5.9
339.20401	6.1
343.19849	9.7
374.44794	1.9
383.19403	8.3
410.24146	7.3
436.02902	2.1
454.23163	50.4
472.23828	1.8
476.25250	1.6
498.25632	15.7
710.14032	1.7
713.34802	9.5
757.37445	94.2
758.37933	3.1
783.38696	6.2
801.40063	100.0
802.40460	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	801.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00577	1.0
59.01109	1.6
59.01384	32.5
69.03431	1.0
71.01389	22.5
72.99306	1.2
73.02943	4.4
73.22553	1.0
83.01371	2.0
85.02963	7.8
87.00878	10.3
89.02434	15.9
92.12402	1.1
95.01361	1.4
97.02934	5.4
99.00830	1.3
101.02457	14.1
113.02428	7.5
114.23426	0.9
119.03471	6.4
124.01638	4.4
125.02448	9.4
141.12819	1.6
143.03551	1.9
161.04593	2.4
171.10313	2.0
179.05536	1.5
197.85780	1.0
221.06685	1.6
224.37753	1.0
291.14737	1.1
297.24292	8.6
308.75525	1.2
313.23907	2.2
315.25418	45.6
316.25806	1.6
318.04553	1.1
395.63562	1.1
459.29843	2.2
462.33221	1.2
477.30850	12.1
584.19238	1.1
621.35229	2.1
639.36224	6.1
766.94409	1.3
801.41370	100.0
802.41766	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	802.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	8.6
59.01103	0.3
59.01385	5.6
71.01386	4.4
71.93187	0.2
73.02925	0.7
76.91489	0.2
80.82497	0.2
83.01385	0.8
85.02951	5.3
86.05392	0.2
87.00832	0.2
89.02443	2.9
92.12176	0.2
95.01395	0.3
99.00841	0.2
101.02438	3.4
103.04014	1.8
106.50030	0.2
110.06126	1.0
113.02456	1.8
119.03495	1.2
120.01228	1.6
128.07175	100.0
129.07526	1.8
155.42517	0.2
157.05130	0.3
161.04541	0.4
211.44484	0.2
235.65895	0.2
290.12482	21.3
291.12851	0.7
334.11438	0.9
368.10239	76.9
369.10522	2.0
428.30557	0.2
624.66339	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.1
59.01114	0.9
59.01391	21.0
63.42986	0.4
67.11689	0.4
69.03435	0.8
71.01385	20.5
72.99283	0.6
73.02947	11.3
75.00876	1.2
76.33758	0.5
83.01399	9.4
85.02953	12.8
86.00115	0.9
87.00877	0.9
89.02431	3.7
95.01382	2.0
96.95996	0.8
97.02919	2.1
99.00873	3.0
101.02442	26.3
103.03996	2.3
105.28957	0.5
113.02452	9.4
119.03542	0.8
125.02420	1.9
143.03542	1.3
159.02997	0.6
161.04582	4.6
224.44348	0.5
243.92561	0.5
247.08278	0.7
273.18640	94.2
274.18954	3.2
304.24261	0.6
331.18784	0.6
343.19031	1.2
395.42914	0.6
435.23911	10.3
581.29779	100.0
582.30109	7.5
743.35376	6.5
803.42432	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	1.5
59.01389	48.8
65.03948	0.9
67.01898	1.0
71.01387	22.2
71.53280	1.1
72.99315	1.2
75.33643	0.8
83.05033	4.3
85.02958	4.4
89.02444	33.5
93.55869	0.9
100.70844	1.1
105.97460	1.0
109.06590	8.2
113.02422	1.9
113.06106	13.1
115.07666	11.7
121.02950	1.6
130.21304	0.9
131.03520	5.1
141.09227	22.4
145.06590	2.1
149.04576	6.9
165.09225	1.5
173.09642	1.3
185.09714	7.6
191.20343	1.2
211.07607	8.5
212.08452	1.1
239.07216	1.9
240.11656	7.1
251.09160	14.2
254.09541	2.5
255.13924	43.3
256.14438	1.9
287.16577	19.2
352.16849	8.1
353.17603	5.0
367.15521	1.7
382.14240	2.4
447.21548	1.4
479.24554	4.4
495.24020	1.9
523.23438	100.0
524.23865	8.2
541.24432	4.2
583.24158	1.3
618.60925	1.1
780.92566	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
60.05936	1.3
61.98826	1.8
71.01380	44.5
71.85881	1.3
71.89995	1.4
72.99313	2.4
80.00002	1.4
85.02943	9.5
89.02443	49.0
95.01395	2.3
96.96036	1.5
97.02936	1.5
98.02665	1.4
99.19102	1.4
101.02425	16.7
109.06609	2.1
113.02451	13.8
113.06096	3.1
115.07615	5.5
117.42516	1.7
119.03494	15.5
131.03481	1.9
131.80559	1.4
135.73627	1.6
141.09235	7.0
149.04622	1.5
150.03200	3.1
161.04587	1.6
179.05693	10.9
185.09679	1.5
211.07675	2.0
240.11441	2.0
251.09323	6.4
255.13861	13.5
287.13712	1.8
287.16681	8.8
352.16681	1.6
353.17838	2.8
396.34265	1.7
454.65030	1.8
523.23273	35.8
524.24426	2.0
577.02014	1.9
668.42969	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	807.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
62.82721	0.2
72.30053	0.2
91.16891	0.2
92.11675	0.2
127.80743	0.2
208.18607	0.3
208.87979	0.3
246.51375	0.2
385.19208	0.3
421.16403	100.0
422.16751	4.2
450.36398	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
62.51309	68.7
62.78288	70.7
65.87759	71.7
74.46119	70.0
183.04013	100.0
195.74586	91.3
324.76489	88.7
679.79620	89.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.6314
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	0.1
78.95902	0.2
92.55479	0.1
97.06596	0.1
99.92575	0.1
105.14188	0.1
115.58222	0.1
127.28516	0.1
137.09717	0.1
140.29271	0.1
153.09192	0.5
179.76483	0.1
196.89615	0.1
312.67068	0.1
393.31802	0.2
453.33820	100.0
454.34134	7.5
538.39789	0.1
601.27942	0.1
809.40558	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.4
59.69250	0.3
64.64755	0.3
74.18164	0.3
81.59840	0.3
113.02385	0.4
129.22911	0.3
137.02440	0.3
423.17950	100.0
424.18274	4.6
484.57114	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4495
Annotation	Bayogenin 3-O-cellobioside
Peak:m/z	Relative Intensity
57.03438	0.5
58.00609	0.2
59.01114	0.6
59.01387	11.4
61.98839	3.7
64.34117	0.3
65.28531	0.3
71.01034	0.4
71.01387	6.2
71.09560	0.2
72.99303	0.6
73.02937	2.7
83.01379	2.8
85.02948	4.4
87.00855	0.5
89.02437	2.0
89.46495	0.3
92.11757	0.3
95.01388	0.6
96.95991	0.4
98.07430	0.3
99.00862	1.4
101.02428	7.0
113.02448	2.4
118.92244	0.3
146.13705	0.3
150.03227	0.7
165.05583	0.6
173.92990	0.3
178.42702	0.3
236.20409	0.3
487.34436	3.1
609.47766	0.4
649.39636	14.5
650.40131	1.9
811.44977	100.0
812.45343	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	811.4719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.2
59.01395	18.9
65.59543	0.3
71.01389	10.8
73.02945	1.3
83.01416	0.4
83.05050	0.4
85.02961	7.7
89.02446	8.3
94.04169	0.3
94.37737	0.2
95.01385	2.2
97.02946	2.5
98.02495	0.3
99.04479	0.4
101.02441	5.5
107.08672	2.9
109.06582	0.6
111.04517	1.9
113.02448	13.1
119.03476	2.6
120.05816	1.0
130.08621	0.5
133.10226	8.9
135.08173	5.8
149.09734	0.4
151.11287	1.4
153.09219	100.0
154.09564	1.4
161.04564	1.7
163.11214	0.4
167.10796	2.8
177.09250	0.5
179.07127	0.6
195.10333	2.9
197.08212	83.9
198.08499	1.0
239.09286	1.6
264.24167	0.3
269.10486	0.4
295.74130	0.2
299.11398	1.7
323.16147	0.6
359.13513	31.8
360.13773	0.6
392.99106	0.3
482.08334	0.3
631.29840	0.3
715.97205	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.8
63.86478	0.1
65.53629	0.1
71.01377	0.5
78.95911	0.2
82.02979	0.5
88.44540	0.1
89.02430	1.1
96.96001	0.6
96.96913	0.5
101.02446	0.2
113.02391	0.2
119.03510	0.4
128.03532	100.0
129.03883	1.1
135.52116	0.1
179.05675	0.4
192.66484	0.1
333.39694	0.1
339.44312	0.1
341.10889	2.4
378.77460	0.1
470.15176	9.0
471.15387	0.1
603.34216	0.1
808.00787	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	813.552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.1
69.54945	0.8
71.01370	5.9
73.02917	1.0
74.74525	0.9
75.00859	4.8
76.58369	1.0
77.46902	0.8
79.47825	1.0
81.03443	1.9
82.66840	1.2
83.05014	10.4
89.02438	1.5
91.05525	46.5
99.00853	4.6
115.00338	9.2
133.01418	15.4
133.05060	1.5
134.86577	3.8
135.03004	12.5
135.04514	43.3
169.55782	1.0
225.16156	9.7
341.29147	1.3
347.90808	1.0
433.32126	1.6
451.32935	9.8
677.49799	100.0
678.50043	12.9
813.55518	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	815.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.5
61.00958	0.3
63.88887	0.3
67.32653	0.3
77.20089	0.4
88.04013	1.3
92.12376	0.7
96.96011	0.4
101.07175	0.6
115.08781	0.6
127.05103	0.6
128.03546	0.3
129.06714	0.6
138.66969	0.4
177.93974	0.3
200.14108	0.5
208.10912	1.8
209.09285	0.4
226.11993	1.7
334.31360	0.4
425.19547	100.0
426.19922	4.0
454.22958	0.8
771.38910	3.0
815.42017	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	817.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01731	0.5
63.25229	0.2
71.01388	2.5
73.02958	0.5
74.99376	0.4
82.95409	0.4
85.02946	0.5
85.93073	0.2
87.00851	0.2
89.02444	2.1
97.02969	0.4
101.02404	2.3
102.98851	0.3
110.51897	0.3
113.00958	0.3
113.02473	1.7
119.03533	0.3
125.02447	0.5
127.17545	0.2
141.01700	34.9
141.06670	0.3
143.03592	0.3
153.01669	0.3
161.04532	0.3
184.90211	0.3
190.61530	0.3
235.08247	0.4
243.04951	0.5
275.07547	0.3
277.21759	6.5
292.56491	0.3
359.22073	2.6
397.13553	10.6
415.14651	2.0
419.11511	3.6
437.12741	3.6
488.24332	0.3
518.17328	0.3
675.36475	1.5
697.33801	3.6
698.34412	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
70.00492	0.4
71.01359	3.4
85.02986	0.8
89.02449	2.0
90.60498	0.5
97.02966	0.8
101.02462	2.6
113.02460	1.0
119.03545	0.6
125.02505	0.7
131.46451	0.5
132.08479	0.5
141.01706	32.7
152.99634	0.8
162.48454	0.6
235.08289	0.5
279.23300	10.2
325.80692	0.5
361.23560	3.3
397.13583	7.7
402.34766	0.5
415.14655	0.7
419.11862	2.8
437.12753	3.3
677.37994	0.7
699.35205	4.4
700.35187	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01697	0.4
71.01374	2.8
73.02946	0.5
76.78116	0.2
81.55316	0.2
82.95444	0.2
83.01428	0.4
85.02959	0.4
89.02443	2.2
92.05801	0.2
92.12431	0.8
97.02950	1.0
99.00841	0.4
101.02443	2.7
102.98858	0.2
104.42527	0.2
113.02481	1.3
119.03545	0.5
125.02459	1.2
131.54213	0.2
137.02499	1.1
141.01704	37.7
141.06670	0.3
142.02132	0.3
143.03508	0.3
152.01364	0.3
153.01920	2.1
165.01765	0.3
168.04330	1.5
177.01851	1.8
178.02788	0.3
179.05739	0.3
192.04381	1.5
207.06735	1.1
217.23573	0.3
235.08336	0.3
243.04985	1.0
253.09189	0.3
274.26248	0.3
279.23279	7.6
361.23563	4.3
397.13531	8.2
401.16013	2.2
415.14795	2.2
419.11829	2.8
425.14462	0.3
437.12750	4.0
677.37903	1.5
699.35370	6.3
819.32916	1.0
853.16290	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95898	65.0
92.11710	0.5
96.96947	5.7
101.17638	0.2
150.97975	1.9
152.99585	100.0
158.07855	0.3
171.00601	1.9
174.71144	0.2
217.58405	0.2
255.23306	3.2
409.23645	39.6
410.23795	0.6
533.55554	0.3
626.79810	0.3
777.33490	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.6
63.06366	1.5
64.33778	1.6
71.01371	3.7
83.29360	1.7
89.02435	12.1
96.95989	3.5
99.00857	2.1
101.02461	2.0
125.02419	2.7
149.04514	2.1
194.34431	1.8
233.06532	2.6
281.64471	1.8
375.61472	2.0
377.08707	7.6
392.15884	17.7
428.13309	100.0
446.64014	2.0
752.44141	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	821.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
71.01382	3.1
78.95908	1.0
89.02454	2.8
95.59315	0.5
96.93888	0.5
100.96371	0.4
101.02460	2.1
108.58810	0.4
113.02464	1.1
122.42656	0.5
125.02409	0.8
137.23799	0.6
141.01692	34.7
165.01724	0.7
194.32031	0.7
200.39337	0.6
215.41335	0.5
233.59203	0.6
235.08385	0.6
236.70221	0.6
281.24847	10.1
309.42966	0.5
327.66235	0.6
363.25446	3.0
395.70276	0.5
397.13544	9.1
415.14713	2.0
419.11880	1.9
437.12924	3.3
482.02484	0.5
508.66479	0.6
631.12451	0.5
679.39667	1.9
701.37451	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	821.416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
59.87435	0.3
69.03446	0.6
71.01025	0.3
71.01381	2.5
72.57923	0.3
73.03004	0.4
89.02464	2.3
94.06192	0.4
96.99300	0.6
97.02977	0.5
99.00854	0.3
101.02435	0.7
113.02475	1.7
119.03484	0.6
123.51124	0.3
125.02494	0.5
126.98871	0.4
141.01698	35.9
141.06653	0.6
152.99536	0.5
153.01711	0.5
156.00026	0.4
161.04631	0.6
235.08392	0.5
266.76880	0.4
281.24875	9.8
303.12585	0.4
306.64301	0.5
345.07034	0.6
363.25208	3.5
397.13550	6.6
415.14661	1.8
419.11667	3.1
437.12497	3.2
519.44788	0.5
679.39990	1.6
701.36871	8.8
702.35748	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5954
Annotation	Unknow
Peak:m/z	Relative Intensity
79.17599	0.1
90.74699	0.1
92.12292	0.3
105.63732	0.2
109.31069	0.1
116.92844	0.2
123.38512	0.2
136.89488	0.2
146.43896	0.2
151.94040	0.2
153.09187	0.6
158.52614	0.2
194.44334	0.2
198.57761	0.1
262.75662	0.2
306.64041	0.2
469.33240	100.0
470.33585	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	823.5561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78539	0.3
58.02968	0.4
58.09402	0.3
59.01371	0.8
61.98838	0.5
64.09727	0.3
80.05037	0.6
81.02997	0.8
81.03466	20.3
83.05037	64.5
84.14858	0.4
85.56555	0.4
88.98798	0.5
92.12392	1.5
96.96069	0.4
100.07690	11.0
110.06781	0.4
126.05570	0.9
127.04023	0.6
150.03258	0.5
182.15500	0.7
195.06670	0.5
199.18178	15.4
207.15005	0.7
224.17636	2.3
225.16118	12.8
226.14490	0.4
243.17152	32.5
244.17320	0.7
269.15042	1.7
308.23502	0.5
309.21811	0.9
319.34015	0.4
341.29541	0.5
353.20831	11.7
354.21262	0.5
364.49777	0.4
433.31775	0.6
451.33051	4.6
469.33975	22.4
470.34546	0.6
579.37720	5.4
695.50775	9.4
696.52924	0.5
728.78003	0.5
805.54675	2.2
823.55597	100.0
824.56079	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	825.4289
Annotation	Esculentoside S
Peak:m/z	Relative Intensity
58.00611	0.7
59.01114	1.3
59.01387	27.4
61.98843	1.3
67.08769	0.7
71.01375	16.0
72.27209	0.8
72.99300	0.9
73.02934	1.1
83.01360	1.7
85.02927	6.6
85.58725	0.7
86.15074	0.7
89.02442	11.6
95.01376	0.7
96.96044	0.7
101.02444	11.9
113.02444	9.7
119.03503	4.2
119.20781	0.8
130.34550	0.8
138.87888	0.8
150.03198	0.9
151.21112	0.9
163.39310	0.9
179.05598	1.2
260.00931	0.9
347.09546	0.7
414.53506	0.9
455.31378	0.8
457.33392	1.3
463.83289	0.9
619.38184	6.2
645.36578	1.0
663.37622	100.0
664.38068	9.7
677.39191	2.8
705.38629	16.1
820.77985	1.0
825.42926	73.6
826.43195	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	828.5399
Annotation	Unknow
Peak:m/z	Relative Intensity
68.52184	0.3
69.06292	0.3
70.26976	0.2
78.95920	2.2
90.94085	0.3
113.09710	0.7
115.07625	0.7
119.91039	0.3
127.07652	0.6
128.08437	0.4
129.61632	0.3
144.40373	0.3
152.99527	0.5
162.19090	0.3
167.14412	3.5
172.63191	0.3
173.28024	0.3
183.13884	3.1
195.13904	10.6
211.13376	1.1
213.15001	1.2
224.06909	0.4
241.14284	0.4
242.15236	0.6
265.21808	0.5
267.23193	0.6
275.19971	0.4
277.21686	3.2
293.21286	9.2
311.22299	100.0
312.22668	3.7
362.34711	0.3
390.69199	0.3
441.38083	0.3
484.94620	0.3
495.17188	0.3
502.29312	2.9
719.78571	0.4
773.20422	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56133	1.3
61.98833	3.1
71.98048	1.2
78.95904	69.1
81.03824	1.4
88.48100	1.1
92.92795	2.6
94.92512	2.3
96.96954	17.9
152.99605	26.3
191.22839	1.3
223.00191	2.9
241.01257	26.0
255.23326	83.0
259.02231	2.4
277.21771	47.1
297.03931	2.1
391.22406	3.0
553.27863	3.0
618.92584	1.5
666.50024	1.6
831.50427	100.0
832.51135	2.4
860.75952	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05605	0.5
59.01378	2.7
63.78815	0.4
70.48401	0.5
71.01386	2.0
73.72684	0.4
78.95878	0.5
85.02937	0.8
89.02439	2.1
96.96007	0.7
101.02428	0.8
116.95074	0.4
119.03448	0.5
121.02917	1.9
123.04570	0.6
125.02457	0.9
130.08778	0.7
133.02953	0.6
134.03735	54.5
135.04034	0.7
137.02437	9.5
139.04018	3.2
149.06076	18.7
149.07211	1.0
149.54477	0.6
150.03206	0.7
178.02713	37.8
193.05064	100.0
194.05467	1.2
227.29643	0.5
233.06960	0.6
293.08823	2.7
321.55313	0.6
334.16272	0.5
355.10382	15.5
401.18213	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	833.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14618	0.2
59.01365	0.2
61.05347	0.2
71.65477	0.1
75.14082	0.2
86.13160	0.2
92.11691	0.2
135.00903	0.3
141.53796	0.1
155.71024	0.2
163.00372	10.2
169.44110	0.2
172.62714	0.2
176.01151	0.4
176.37708	0.2
190.99864	8.5
192.39136	0.2
195.04465	0.3
206.02161	1.9
206.03821	0.2
207.04572	0.9
223.03979	2.6
227.03584	0.3
230.02081	0.4
234.03178	1.2
235.04022	0.9
248.04823	0.3
251.03523	3.5
252.04088	0.2
262.02753	2.1
263.03519	0.4
264.04575	0.2
265.04898	0.4
267.03009	0.4
277.01614	0.2
279.02994	31.9
280.03690	2.2
290.02176	3.6
292.03836	0.6
293.04492	2.2
294.02191	0.3
294.05347	2.8
295.02487	3.9
296.03229	0.2
302.91873	0.2
305.01392	0.4
305.04550	6.1
306.01804	1.5
307.02512	39.4
308.03000	1.2
309.04172	0.3
310.04865	0.2
321.04062	7.6
322.04849	24.2
323.01993	16.7
323.05035	0.7
324.02615	0.3
325.03552	5.6
327.05173	1.9
333.04172	0.2
337.03537	0.3
337.07190	0.8
338.04309	0.9
351.01501	11.9
353.03143	1.0
365.02820	0.4
366.03821	30.1
367.04205	0.9
381.06192	100.0
382.06445	3.7
729.39020	0.2
729.51501	0.2
773.34375	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	20.2
71.01369	1.1
78.95898	1.9
89.02412	1.1
89.23016	1.0
98.01914	1.0
189.60031	1.1
227.85977	1.2
253.09242	2.3
255.23326	4.3
277.21738	100.0
278.21988	2.4
279.23209	2.0
374.57236	1.2
646.63379	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	0.3
59.01387	91.4
59.99890	0.2
60.01722	0.3
69.50176	0.3
71.01380	27.3
71.05035	1.2
72.58063	0.3
72.99307	1.3
73.02944	6.1
75.00886	0.3
83.01384	3.8
83.39990	0.3
85.02952	10.4
86.48064	0.3
87.00874	2.0
89.02440	19.5
95.01392	2.1
95.04999	0.4
97.02946	1.6
99.00875	1.9
101.02434	22.9
109.06560	0.5
113.02444	13.9
119.03481	8.4
120.01234	1.2
123.08164	0.4
125.02462	0.4
128.03545	0.4
137.02495	0.3
137.09694	1.1
138.06870	8.5
143.03539	1.1
151.07709	0.4
152.08490	0.4
153.09213	25.3
154.09592	0.4
155.42166	0.3
156.99312	0.3
159.02980	1.6
159.06569	0.3
160.05299	0.4
161.04553	9.3
161.05850	0.4
165.12769	0.4
171.59134	0.3
179.05606	1.6
180.17596	0.3
197.15561	0.5
202.02835	0.6
207.13960	3.1
225.14984	42.5
226.15265	2.2
329.13934	1.6
330.14374	0.7
387.20291	100.0
388.20682	5.5
431.19101	2.9
447.22415	18.7
527.24658	0.3
579.56506	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.23598	0.1
64.33863	0.2
71.01352	0.3
81.03445	0.3
89.03948	1.4
92.12422	0.3
96.96954	0.4
104.02675	0.3
105.03464	3.1
105.81774	0.2
123.04502	0.2
129.70181	0.2
133.02945	8.0
134.03773	0.3
148.01685	0.4
149.02438	1.0
159.99043	0.2
176.01170	1.6
177.01933	100.0
178.02234	2.5
193.05066	1.0
266.83994	0.2
353.37433	0.2
471.11475	32.0
472.11877	1.7
549.89417	0.2
693.89575	0.2
698.54193	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01405	4.9
66.88554	0.6
71.01380	4.8
73.11935	0.5
89.02454	5.0
101.02447	2.6
117.03465	24.1
121.02947	3.8
123.04557	0.9
133.02986	0.7
145.02962	100.0
146.03270	1.4
162.03236	1.2
228.80324	0.9
232.14030	0.7
260.06360	0.6
615.40790	3.4
659.39655	92.7
660.40283	7.6
865.51166	0.9
874.77661	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
70.50118	0.2
77.97601	0.2
78.95898	52.1
83.35501	0.2
96.96954	7.3
150.97974	1.4
152.99585	100.0
153.99927	0.4
171.00598	2.8
183.01248	0.3
203.71442	0.2
249.35747	0.2
255.23293	1.3
271.01718	0.2
281.24792	0.8
284.69913	0.2
325.18500	0.5
409.23627	20.7
410.23898	0.4
435.25192	18.9
436.25363	0.4
780.03412	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
69.13145	0.2
70.38911	0.2
71.01376	1.6
77.33553	0.2
81.03469	1.6
83.01380	0.5
87.00895	0.3
89.02425	1.2
95.01353	0.4
97.02878	0.3
98.00145	0.2
99.00887	0.3
99.04516	13.5
101.02435	8.3
108.02165	0.3
113.02528	0.2
120.99268	0.2
123.00874	14.2
124.01662	0.3
125.02434	7.9
137.02440	1.2
137.99586	0.3
138.03227	30.0
139.04008	0.3
143.03526	0.9
149.04637	0.4
153.05576	22.3
155.03487	0.3
166.99863	14.4
169.01448	0.5
173.04539	0.4
181.01424	0.3
181.05074	0.3
182.02217	51.8
183.02631	0.3
185.21480	0.2
197.04567	100.0
198.04897	1.5
207.03130	0.3
213.07764	0.4
222.47627	0.3
239.05595	0.4
259.80505	0.2
275.07773	8.3
311.07721	1.2
319.13959	0.3
329.08835	41.1
330.09247	1.0
371.09879	15.6
411.12967	3.5
464.11221	0.3
473.02890	0.3
473.13120	6.6
536.83569	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	862.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
61.10395	0.1
62.96394	0.1
78.95900	61.0
84.23104	0.2
86.25256	0.1
92.12482	0.5
96.66048	0.1
96.96952	5.6
122.00116	0.3
140.01176	2.7
150.98021	1.9
152.99583	100.0
153.99896	0.7
171.00607	2.6
196.03821	3.9
214.04837	0.3
229.43381	0.1
255.23306	44.1
256.23572	1.4
306.28058	0.2
375.00735	0.2
409.23618	37.8
410.23914	1.7
418.29330	0.2
452.27859	21.9
453.28159	1.0
456.99695	0.2
668.10986	0.2
707.02649	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
61.92879	1.3
61.98825	1.3
66.89693	1.2
71.01388	43.3
73.02960	11.8
78.88595	1.5
83.01389	6.9
85.02944	19.6
86.00126	2.5
87.00863	6.9
89.02442	14.7
95.01418	2.3
96.96001	3.2
97.02954	1.8
98.42824	1.1
99.00879	7.4
101.02437	41.0
109.32183	1.5
113.02440	20.4
116.92848	1.7
119.03498	5.7
125.02424	2.6
128.03545	1.6
129.01952	2.2
137.09688	2.2
150.03238	5.7
151.78287	1.4
155.10788	49.9
155.12041	2.4
158.22881	1.4
159.03011	5.7
161.04590	14.3
162.51048	1.4
165.05611	6.1
195.06636	1.3
199.09822	26.2
291.10086	2.0
310.89960	1.3
408.02170	1.5
443.40942	1.6
459.09042	1.4
473.54007	1.6
479.26462	4.7
619.38586	6.6
641.32178	9.5
645.35938	1.5
664.29529	2.5
708.93097	1.8
781.62653	1.5
803.37170	100.0
804.37775	5.6
827.30109	2.1
845.64221	1.7
863.45569	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	863.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
66.66615	0.4
78.95903	67.2
96.96962	6.6
150.98041	1.8
152.49605	0.5
152.99593	100.0
171.00653	2.3
277.21915	0.7
336.92606	0.4
357.84213	0.5
431.22095	42.1
432.22479	1.0
447.22604	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.6016
Annotation	Unknow
Peak:m/z	Relative Intensity
76.48711	0.3
80.12388	0.4
81.03448	0.5
83.05035	6.0
87.74992	0.3
92.11754	1.6
97.06584	4.1
109.06577	3.2
123.08115	0.8
125.09715	70.3
126.10035	0.4
132.89929	0.4
143.10765	3.5
169.08737	1.5
187.09760	100.0
188.10072	2.0
225.16132	0.5
274.15305	0.4
386.46332	0.4
451.33105	0.8
607.80927	0.4
677.49896	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	865.6212
Annotation	Unknow
Peak:m/z	Relative Intensity
62.70559	0.2
63.75842	0.1
74.87789	0.2
78.95888	0.2
102.37502	0.2
113.77835	0.2
114.31997	0.2
116.92882	0.2
147.71147	0.2
153.09273	0.3
164.56812	0.2
279.23337	0.2
308.44089	0.2
404.02603	0.2
453.33746	5.0
454.34265	0.2
474.73679	0.2
513.35901	100.0
514.36261	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	867.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
63.64683	0.4
69.03449	0.8
69.69102	0.3
71.01385	5.9
73.02947	0.7
80.02665	0.4
81.03455	4.0
83.01383	5.8
85.02941	2.1
85.82942	0.3
89.02426	5.2
93.03454	2.4
95.01393	1.5
95.05019	6.0
96.95995	0.4
97.02943	12.0
99.04476	0.4
101.02445	3.0
103.25101	0.4
105.40527	0.4
107.05018	0.7
108.02162	2.7
109.02953	41.3
110.03283	0.6
111.04509	0.6
113.02457	3.3
119.03505	2.9
121.02936	6.4
122.03750	2.4
123.00932	0.4
123.04514	29.9
124.04783	0.4
125.02438	29.5
135.03603	0.5
135.04501	3.8
135.86163	0.3
137.02443	18.0
138.03238	0.8
139.04013	7.4
145.02991	2.4
146.03732	1.9
147.04507	0.8
149.02437	8.4
150.03239	3.8
151.04007	15.6
152.01157	1.5
157.06555	0.4
159.04488	4.6
160.05281	3.5
161.02441	2.2
161.04591	2.4
161.06090	9.5
162.03229	3.1
163.04025	2.5
164.01154	6.7
164.04750	1.9
165.01942	8.0
165.05573	0.9
166.02739	0.5
167.03479	6.2
173.06104	2.1
174.03267	0.6
175.03999	3.8
175.07602	3.1
177.05571	0.6
179.03543	8.9
179.05669	2.1
179.07121	29.7
184.05338	0.5
185.06099	1.7
187.04007	8.8
188.04765	6.9
189.05460	0.5
195.06651	0.7
199.07643	0.5
201.05603	1.6
202.06374	5.1
203.03502	0.5
203.07164	24.2
205.05069	13.0
212.04784	0.9
217.05205	0.4
217.08727	0.8
221.08221	7.0
227.07095	3.5
229.05080	0.6
230.05807	1.8
231.03020	0.9
235.08258	0.8
245.08189	25.3
246.08455	0.6
247.06064	1.8
271.06091	0.5
287.05582	1.7
289.07211	100.0
290.07516	3.6
350.24750	0.4
415.16113	18.8
416.16672	0.8
525.16266	2.1
577.14624	1.0
577.21442	26.5
578.21704	2.2
772.09802	0.4
782.66742	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.307
Annotation	Unknow
Peak:m/z	Relative Intensity
62.91168	1.0
64.34586	1.0
71.01406	1.3
73.64983	0.9
89.02448	1.2
99.96358	1.0
101.02409	1.6
112.10732	1.2
113.02505	1.1
124.59853	1.0
151.04120	1.2
153.92262	1.0
156.89424	1.0
179.07117	1.3
182.09381	1.0
193.04996	1.4
207.93507	1.1
226.48976	1.1
259.15567	2.1
261.12613	1.9
451.13794	100.0
817.96027	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
60.79967	0.1
62.51163	0.1
62.96415	0.1
69.82144	0.1
72.72614	0.1
75.32517	0.1
78.95903	50.2
91.90332	0.1
96.96954	6.7
102.79575	0.1
108.14719	0.1
109.73052	0.1
133.97723	0.1
134.16408	0.1
135.90913	0.1
138.23566	0.1
150.98006	2.0
152.99583	100.0
153.99931	0.7
158.92528	0.1
171.00632	3.5
191.63832	0.1
240.46069	0.1
281.25018	1.3
425.64438	0.1
435.25201	28.1
436.25568	0.9
474.57394	0.1
486.76758	0.1
515.21887	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	5.0
73.02898	0.3
81.03445	3.3
83.01379	0.5
85.02921	1.5
87.00856	0.3
89.02451	3.5
95.01348	1.6
97.02907	0.4
99.00903	0.4
99.04513	27.7
101.02431	12.1
109.02931	0.4
113.02430	1.4
118.01591	0.3
121.02956	0.4
123.00867	12.4
123.04512	0.4
125.02436	10.9
128.07213	0.4
131.03488	1.1
133.01355	0.3
134.03619	0.3
137.02403	1.4
138.03229	18.5
143.03474	1.1
153.05573	14.5
161.04588	0.4
165.01888	0.3
165.05505	0.7
166.99860	14.5
172.31206	0.3
173.04585	2.5
181.01430	0.3
182.02214	59.7
183.02570	1.1
193.05078	0.3
196.34892	0.3
197.04573	100.0
198.04918	1.5
213.07614	2.6
239.05615	0.4
275.07767	41.1
276.08035	1.1
293.08719	1.9
302.37607	0.3
311.07919	0.6
329.08844	17.8
361.16644	2.3
367.52631	0.3
371.09799	7.8
411.13010	1.7
473.13077	6.5
523.21863	4.2
609.85840	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	2.4
71.64685	0.2
73.02944	4.0
76.57979	0.2
77.56940	0.1
79.41649	0.1
79.80049	0.2
83.01387	0.3
85.02953	1.0
87.04517	6.1
89.02439	0.4
97.02930	1.0
101.02441	4.9
101.68305	0.1
109.06561	0.2
113.02426	1.0
125.02409	0.3
128.03545	0.3
131.03505	0.3
133.18115	0.2
134.96355	0.2
135.08170	1.8
137.09723	16.3
138.10033	0.2
139.11298	1.3
143.03571	0.2
144.94478	0.2
151.11290	0.7
153.09178	0.2
155.10788	100.0
156.11098	2.1
161.04552	0.6
162.18762	0.2
165.05487	0.2
167.10793	0.4
169.12338	4.3
181.08710	4.5
185.11839	0.4
197.11905	0.3
199.09779	69.6
200.10158	2.0
213.11345	4.2
241.10829	21.9
242.11298	0.3
242.96944	0.2
253.10930	0.2
271.11917	4.6
277.94604	0.1
301.12961	16.5
302.13248	0.2
343.14093	0.4
361.15115	30.9
362.15579	1.2
465.54980	0.2
523.20593	0.3
793.55640	0.2
827.02881	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5383
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96362	0.1
71.21669	0.1
78.95900	56.4
96.96954	6.1
98.08382	0.2
118.55621	0.2
140.01204	1.2
150.97992	1.9
152.99586	100.0
153.99889	0.2
160.79967	0.2
171.00627	2.7
196.03833	0.4
214.04921	1.2
233.43700	0.2
244.99232	0.2
255.23264	3.2
281.24869	58.4
282.25201	1.9
409.23630	35.9
410.23990	0.8
435.25204	0.3
463.54587	0.2
478.29443	18.7
479.30084	0.4
710.85699	0.2
918.16681	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.5161
Annotation	Divinylchlorophyll a
Peak:m/z	Relative Intensity
71.67731	0.1
78.95895	0.9
97.06580	0.1
126.97353	0.1
165.30063	0.1
179.31931	0.1
199.51944	0.1
235.20747	0.2
253.21733	100.0
254.22041	2.6
279.23306	0.4
889.51636	4.2
890.50830	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.372
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	9.5
72.72879	2.4
90.97131	4.0
116.92907	3.8
118.96632	15.1
132.98195	4.0
138.57959	2.4
146.50832	2.2
146.96123	5.5
168.98315	2.7
174.99246	56.0
179.02367	2.5
189.00748	2.5
201.00905	3.4
210.99062	2.6
217.00337	100.0
259.01376	4.2
273.02878	2.9
277.02505	2.9
277.21680	3.4
291.03885	4.6
328.31470	2.5
357.58612	2.7
361.04602	13.2
392.89655	2.4
407.17587	22.2
435.08127	3.6
453.09229	35.9
513.11646	3.4
687.95618	3.3
713.30713	96.4
714.31714	3.9
722.72192	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	895.399
Annotation	Unknow
Peak:m/z	Relative Intensity
62.72836	0.1
67.61769	0.2
68.76673	0.2
70.02983	0.3
71.02511	1.3
72.00903	1.1
74.02480	2.7
82.02985	14.1
85.04067	0.7
91.05525	0.9
93.03448	2.9
96.40796	0.2
96.96049	0.3
99.01995	1.1
101.02444	0.2
107.05020	0.8
108.00931	1.8
111.02023	0.4
111.05612	0.4
113.03602	0.3
113.07210	16.4
114.05605	0.2
116.05077	1.6
118.06618	0.4
119.05018	7.3
125.02753	0.2
125.03542	1.9
126.01977	0.4
131.05009	0.2
133.05309	1.1
134.06116	5.6
136.07678	0.4
139.05138	23.9
140.05502	0.3
142.05113	0.2
146.06128	18.6
151.05095	0.2
160.07692	2.8
162.05650	1.5
163.04013	7.7
163.08733	0.5
164.07184	0.3
177.03151	0.2
179.08273	6.0
180.06668	34.1
181.07042	0.4
183.10162	0.3
183.37773	0.2
186.05663	0.4
189.06718	3.4
191.08260	3.1
205.06210	9.5
206.06685	0.2
217.00328	0.2
218.06955	0.2
222.08852	2.2
225.10484	0.3
243.11406	7.4
244.11717	0.2
260.14182	0.3
261.12396	0.3
265.13507	0.7
266.11884	34.6
267.12296	1.5
269.09140	0.5
274.15775	0.7
283.14407	0.4
308.14142	1.2
310.10925	1.0
318.14575	2.8
327.13541	10.7
328.13934	0.3
352.13031	1.3
361.18729	2.3
380.19812	2.0
406.17813	0.3
424.18842	37.5
425.19073	2.7
450.16864	1.7
489.21802	0.3
533.20496	100.0
534.20844	8.8
558.25195	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	1.4
71.01388	50.0
72.99315	4.6
73.02573	1.0
73.02938	9.3
81.03459	2.3
83.01398	8.5
85.02959	11.8
87.00891	14.5
89.02445	50.4
92.12456	1.7
95.01382	5.1
97.02939	6.7
99.00813	1.3
101.02438	49.4
104.57072	1.1
111.00933	1.2
113.02441	29.1
119.03484	10.9
125.02411	17.5
131.03510	6.7
143.03458	4.1
157.90007	1.0
161.04547	16.8
162.53128	1.2
168.69920	1.1
169.49065	1.3
179.05624	9.7
187.21982	1.1
203.15688	1.2
221.06693	7.8
235.08240	6.2
253.09293	7.8
277.21707	36.1
295.67337	1.2
309.36612	1.2
397.13565	25.7
415.14612	12.1
485.15097	1.3
559.18817	100.0
577.19934	27.2
675.34912	1.7
837.41492	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	899.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03470	1.8
70.02905	1.3
71.00989	1.5
71.01386	46.5
72.99313	1.5
73.02949	10.4
83.01392	7.8
85.02956	13.7
85.51897	1.1
87.00881	17.1
89.01899	1.8
89.02449	48.6
95.01357	2.4
97.02946	2.8
99.00872	1.3
101.02440	50.4
101.03071	2.2
113.02458	26.4
115.04059	1.6
116.92882	1.8
119.03481	10.8
125.02422	14.0
130.95647	1.6
131.03519	7.4
143.03488	6.7
152.99606	2.0
161.04547	16.0
179.05643	7.5
221.06714	2.9
235.08212	6.5
253.09312	9.1
263.07709	1.5
279.23325	44.1
304.99890	1.4
305.08868	1.9
330.36975	1.4
359.14041	1.4
379.12622	1.6
397.13571	23.8
410.55252	1.6
415.14548	10.1
467.14777	1.4
479.57123	1.4
485.32574	9.0
530.19843	1.3
559.18854	100.0
560.19141	2.0
577.19910	31.5
677.37622	2.3
714.30066	1.6
731.97034	1.6
839.42908	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4505
Annotation	Unknow
Peak:m/z	Relative Intensity
62.78387	0.8
64.34524	0.9
69.03439	1.0
71.00992	1.4
71.01382	44.5
72.99326	3.6
73.02953	9.9
78.95200	1.0
81.03441	1.3
83.01389	7.3
85.02952	10.5
86.00114	1.3
87.00872	12.7
89.02441	44.9
95.01386	3.9
97.02945	6.7
99.00881	2.1
101.01772	1.7
101.02439	48.3
113.02435	26.5
119.03486	8.7
121.16269	1.0
125.02426	12.5
131.03503	7.2
133.05034	1.0
137.10805	0.9
143.03487	6.0
155.16512	1.0
161.04567	16.2
179.05629	9.2
219.97849	1.2
221.06625	9.7
235.08186	5.4
253.09290	5.8
279.23294	39.1
280.23560	1.4
313.23346	1.1
379.12207	1.2
397.13571	19.7
415.14594	12.2
559.18872	100.0
560.18726	1.8
577.19910	27.2
677.37842	1.8
839.28320	1.9
839.43036	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	899.4501
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03440	1.5
71.01381	45.3
72.99294	4.3
73.02940	6.6
73.24060	0.8
78.05898	0.9
83.01384	4.6
85.02952	11.8
86.00078	1.0
87.00864	16.7
89.02444	49.1
92.34971	1.2
95.01389	4.3
97.02924	3.8
99.00839	1.3
101.02437	41.0
113.02451	26.1
119.01663	0.9
119.03526	8.8
125.02426	11.4
131.03522	7.7
143.03482	6.8
161.04570	8.1
179.05608	9.7
181.79471	1.0
195.54472	1.0
200.08336	1.0
221.06662	9.2
235.08252	2.1
279.23334	34.2
372.09775	1.1
379.12552	2.2
383.12119	4.1
397.13498	5.6
401.20084	1.2
415.14828	3.8
467.14063	1.3
471.34799	4.4
485.15271	1.5
559.18842	100.0
560.19104	1.8
577.11115	1.3
577.19977	29.9
839.43042	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	904.5696
Annotation	Unknow
Peak:m/z	Relative Intensity
64.80382	0.1
73.07095	0.2
75.94215	0.2
78.95909	56.4
92.65396	0.2
96.96959	6.2
107.92699	0.2
141.63103	0.2
150.98030	2.2
152.99586	100.0
153.99937	0.4
171.00627	2.8
211.17613	0.2
255.23338	2.7
409.23630	36.8
410.23959	1.3
736.64246	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02969	0.3
71.02527	1.6
72.00914	1.1
74.02488	2.7
76.57803	0.2
82.02994	16.2
85.04096	0.4
91.05534	0.9
92.12289	0.3
93.03458	3.3
99.02013	1.5
107.05019	0.9
108.00918	2.1
111.02003	0.3
111.05612	0.3
113.07214	18.1
114.05599	0.3
116.05052	2.6
118.06599	0.3
119.05020	9.8
125.03542	2.4
126.01971	0.7
133.05356	1.7
133.06277	0.2
134.06133	6.2
135.35431	0.2
136.07652	0.3
139.05141	29.2
140.05527	0.3
142.05122	0.3
146.06123	20.3
151.05179	0.4
160.07706	3.4
162.05609	1.7
163.04005	8.4
163.08791	0.8
163.88541	0.2
164.07240	0.2
166.67802	0.2
177.06708	0.3
179.08289	6.4
180.06670	42.1
181.07106	0.4
183.10028	0.7
186.05589	0.9
189.06723	3.4
191.08290	3.5
199.12411	0.4
204.06670	0.3
205.06210	10.2
206.06462	0.2
218.06970	0.3
221.09352	0.4
222.08826	1.7
225.10420	0.3
243.11397	8.4
245.09262	0.2
260.14273	0.3
264.10190	0.3
265.13467	1.2
266.11884	42.1
267.12286	1.2
269.09332	1.1
274.15674	0.4
283.14450	1.0
300.13495	0.3
308.14151	1.4
309.12469	0.3
310.10815	1.2
318.14606	3.0
323.27921	0.2
327.13528	10.6
352.13138	1.9
380.19797	2.2
406.17679	0.3
424.18832	43.6
425.19211	2.1
450.16724	2.3
489.21625	0.3
533.20483	100.0
534.20715	4.6
535.21655	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.5228
Annotation	Unknow
Peak:m/z	Relative Intensity
67.30437	0.2
75.08833	0.2
78.95911	46.4
96.96963	7.4
133.09767	0.3
140.01198	0.4
150.98000	2.1
152.99593	100.0
171.00645	4.0
196.03786	0.4
214.04961	0.6
230.67525	0.2
279.23312	43.7
280.23758	1.7
316.01193	0.3
359.76605	0.3
414.46341	0.3
419.63510	0.3
433.23621	27.6
434.24048	1.4
476.27878	16.0
477.28336	0.5
541.18158	0.3
596.48822	0.3
597.29572	0.3
611.41608	0.3
921.52625	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.5223
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	54.3
96.96960	5.5
107.54943	0.1
119.46101	0.1
122.00124	0.3
140.01180	2.4
150.98030	1.9
152.99590	100.0
153.99924	0.6
171.00652	3.5
196.03815	3.8
214.04887	0.8
271.95111	0.1
279.23309	36.3
280.23703	1.2
306.07611	0.1
433.23645	29.9
434.24127	1.2
476.27872	19.6
477.28354	0.7
595.03992	0.1
618.27118	0.1
846.75250	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5539
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95911	42.1
96.96029	0.2
96.96955	6.8
102.06992	0.1
140.01199	0.7
150.98000	2.0
152.99590	100.0
153.99962	0.8
156.24960	0.1
171.00641	3.8
184.30734	0.2
196.03854	0.6
214.04854	1.1
281.24869	45.9
282.25217	2.3
327.18359	0.2
435.25189	24.2
436.25473	1.4
478.29431	14.1
479.29657	1.0
537.66827	0.2
859.32813	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5535
Annotation	Unknow
Peak:m/z	Relative Intensity
64.04737	0.1
78.95898	46.0
89.69462	0.1
96.96951	6.1
106.37881	0.1
122.00126	0.5
134.28677	0.1
140.01184	2.3
141.42329	0.1
150.98018	1.9
152.99583	100.0
153.99924	0.9
162.17531	0.1
171.00629	3.7
178.19896	0.1
196.03798	3.6
214.04825	0.3
281.24866	39.2
282.25192	1.2
435.25201	31.0
436.25665	1.4
478.29443	23.0
479.29355	1.0
511.54346	0.1
528.94214	0.2
538.91681	0.2
592.63184	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
72.36914	0.1
78.95901	8.5
93.02699	0.1
96.96935	0.9
104.42483	0.1
150.98079	0.2
152.99590	16.3
156.81084	0.1
171.00627	1.0
179.02998	0.1
212.74770	0.1
227.03261	1.6
237.22084	0.2
245.04375	1.2
255.23315	100.0
256.23642	3.2
259.92392	0.1
309.04077	0.2
433.23526	1.5
483.27325	46.9
484.27594	1.6
526.76331	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	925.5668
Annotation	Unknow
Peak:m/z	Relative Intensity
66.76254	0.1
67.55637	0.1
67.63974	0.1
76.57632	0.1
78.95905	58.4
82.72344	0.1
85.73522	0.1
86.31439	0.1
90.71262	0.1
92.11742	0.2
96.96955	5.8
103.14245	0.1
113.26910	0.1
114.38971	0.1
150.97995	2.0
152.99579	100.0
153.99928	0.5
171.00630	2.2
255.23297	2.9
256.23621	0.1
291.07120	0.1
409.23599	36.6
410.24020	1.4
812.74939	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	929.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
64.78805	0.6
66.03490	1.3
71.01397	0.8
73.04073	3.4
74.02480	3.8
79.46458	0.5
82.02990	4.5
83.02509	0.8
83.06164	2.2
84.00910	1.0
84.04566	6.5
86.02527	0.7
87.05649	26.2
88.04048	8.6
89.02482	0.6
96.04515	0.9
97.04067	3.9
98.02473	3.1
99.01996	1.0
99.05647	3.4
101.07205	5.7
107.02551	0.6
109.04079	22.6
110.02481	7.7
111.05657	3.7
112.04044	3.9
112.07704	2.3
113.03584	11.6
113.07199	2.8
115.08768	25.1
116.07172	3.1
122.09782	1.2
123.33968	0.6
125.03566	3.0
125.07227	6.2
126.05605	12.4
126.06730	7.1
126.24326	0.6
127.05137	67.3
127.08771	3.2
128.03545	23.9
129.06705	18.6
129.10387	0.7
137.07208	5.5
138.05617	5.2
139.05119	0.8
139.08798	1.3
140.08293	2.6
141.06699	4.9
144.07785	17.7
145.06201	37.7
145.07375	1.4
151.08859	0.8
153.06706	2.5
154.09872	46.8
155.04726	0.8
155.08279	10.6
155.11906	1.3
157.09818	2.3
158.09422	1.0
165.05440	3.7
165.06709	1.0
165.10359	3.9
166.06219	0.6
166.08730	6.0
168.07809	4.9
168.11421	0.8
169.06183	1.3
169.13487	2.5
170.09338	0.8
172.10933	25.7
173.09326	0.6
179.11911	18.9
180.07784	5.1
181.06197	1.3
181.09874	3.8
182.09436	0.8
182.12996	11.5
183.06323	0.6
183.11426	2.9
184.07359	1.0
186.08838	5.7
186.12518	1.2
187.07263	1.1
191.47423	0.6
193.13513	0.9
194.09364	3.8
196.10931	2.3
196.14592	4.7
197.10486	4.0
197.12984	3.5
198.08879	15.3
198.12485	1.1
199.07361	1.1
200.14081	4.3
208.10948	20.4
209.09325	14.5
211.12038	16.1
212.10445	1.3
214.15665	14.8
215.11601	1.0
216.09930	8.2
221.06900	2.8
224.14070	0.9
225.13611	2.3
226.09982	1.0
226.12019	18.1
226.15488	0.9
228.17250	1.0
229.13097	15.7
239.11566	2.9
239.15150	3.2
240.10106	0.6
240.13493	1.1
253.16736	3.8
254.18706	0.6
255.11066	3.0
257.12714	2.4
257.16202	2.4
258.11035	1.0
264.17130	2.1
265.16772	0.7
267.18338	0.6
271.17712	2.4
273.12051	3.7
280.16797	2.7
281.19861	3.0
283.14148	1.3
297.15750	0.7
299.20859	2.4
307.17798	20.3
310.18954	5.4
325.18863	53.5
328.19983	11.1
331.62766	0.7
339.20428	1.3
342.21262	0.7
343.20099	0.8
354.17862	1.1
366.21469	1.1
367.19949	5.5
372.19040	5.2
382.20947	10.5
383.19455	3.7
386.16479	0.9
392.23019	14.8
396.22714	2.6
408.22476	2.8
410.24252	2.7
427.26834	2.5
436.22345	0.7
453.24762	0.9
454.22949	3.3
471.25894	5.4
520.29193	0.9
538.29926	4.2
564.28284	0.9
582.28992	19.3
584.30725	1.0
605.63605	0.7
626.31708	13.5
627.32391	0.6
653.32788	0.7
823.39984	0.8
841.40698	6.1
867.42047	4.0
885.43353	69.9
886.44055	5.1
911.44513	4.7
929.45978	100.0
930.46179	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	929.6645
Annotation	Unknow
Peak:m/z	Relative Intensity
116.92835	11.3
121.28064	2.8
152.99701	3.2
206.92952	3.4
224.34006	2.8
374.53183	3.2
453.33862	100.0
454.33945	6.5
929.66510	99.5
930.66168	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	930.5845
Annotation	Unknow
Peak:m/z	Relative Intensity
68.33775	0.1
78.95895	60.8
96.96951	5.3
100.35601	0.1
110.13268	0.1
111.15685	0.1
127.70895	0.1
135.97037	0.1
150.98018	1.9
151.68170	0.1
152.99579	100.0
153.99937	0.7
171.00639	2.4
223.72572	0.1
255.23311	2.6
279.23315	0.1
409.23630	40.7
410.23981	1.5
435.25244	0.2
459.70410	0.1
496.43564	0.1
763.19086	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	938.6734
Annotation	Unknow
Peak:m/z	Relative Intensity
76.36284	0.1
76.77483	0.1
97.06587	0.1
153.09204	0.6
170.59869	0.1
228.00656	0.1
393.31604	0.1
453.33783	100.0
454.34113	4.1
529.36188	0.1
732.11591	0.1
754.91901	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	939.6432
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03467	0.2
82.19975	0.1
83.05029	1.2
92.11546	0.1
113.65643	0.2
225.16100	1.2
341.81516	0.2
377.27545	0.2
451.33029	1.0
484.27783	0.2
520.12244	0.2
677.50476	0.3
903.66595	2.9
939.64325	100.0
940.64343	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	947.551
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95902	45.9
96.96959	6.4
98.90592	0.0
115.69764	0.0
143.49800	0.0
150.98024	2.2
152.99593	100.0
153.19576	0.1
153.99889	0.5
171.00653	3.8
246.29282	0.1
279.23364	1.2
293.66516	0.1
337.39551	0.0
338.73389	0.1
433.23654	26.5
434.23947	1.3
697.33417	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	947.551
Annotation	Unknow
Peak:m/z	Relative Intensity
66.77541	0.1
78.95901	60.2
96.96957	5.4
150.98027	2.2
152.99590	100.0
153.99907	0.6
171.00652	2.3
194.67621	0.1
199.27756	0.1
279.23315	2.0
290.75372	0.1
430.61813	0.1
433.23645	39.2
434.24109	1.9
447.87204	0.1
463.19501	0.1
507.19498	0.1
774.59229	0.1
795.78943	0.1
872.32404	0.1
945.86426	0.1
948.69336	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	948.5368
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95896	50.6
83.15349	0.2
94.11202	0.1
96.96951	6.6
96.97559	0.3
99.92558	0.2
116.92838	1.3
117.92877	0.4
136.61374	0.2
150.98029	2.1
152.99582	100.0
153.99922	0.8
160.94440	0.2
171.00633	2.8
172.32690	0.2
223.55240	0.2
262.92340	0.2
277.21719	0.9
431.22058	29.4
432.22461	1.6
825.95984	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.582
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95900	44.4
96.96956	6.4
104.57496	0.1
150.98024	2.0
152.99591	100.0
153.99904	0.6
156.59468	0.1
171.00650	3.7
207.32506	0.1
240.44711	0.1
281.24896	1.5
333.23346	0.1
340.21088	0.1
435.25204	24.6
436.25534	0.6
487.92935	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	951.582
Annotation	Unknow
Peak:m/z	Relative Intensity
66.31429	0.0
78.95899	44.6
96.96954	6.2
101.79194	0.0
150.98012	1.8
152.99586	100.0
153.99890	0.5
171.00636	3.4
258.20569	0.1
281.24884	1.4
342.72513	0.1
435.25195	30.0
436.25528	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5698
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95902	48.2
91.38670	0.1
96.96958	6.3
150.98026	1.8
152.99591	100.0
153.99915	0.5
171.00641	3.8
188.70309	0.1
214.06711	0.1
261.20093	0.1
278.60721	0.1
279.23318	1.2
433.23651	26.8
434.24118	0.6
464.97192	0.1
726.15704	0.1
728.24127	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	952.5691
Annotation	Unknow
Peak:m/z	Relative Intensity
66.78870	0.1
71.21932	0.1
75.96070	0.1
78.95900	57.4
96.96954	6.0
141.64160	0.1
150.98026	2.1
152.99586	100.0
153.99937	0.4
171.00636	2.9
180.07445	0.1
183.96812	0.1
234.28918	0.1
279.23257	1.8
396.83279	0.1
402.09189	0.1
433.23639	37.2
434.23877	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.6007
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95900	47.8
79.01990	0.1
82.09685	0.1
92.12394	0.3
96.96954	6.9
97.22425	0.1
102.73672	0.1
143.77716	0.1
150.98030	1.9
152.78873	0.1
152.99586	100.0
153.99921	0.6
171.00644	3.5
190.73732	0.1
281.24860	1.2
435.25208	28.9
436.25522	1.2
520.49255	0.1
616.39801	0.1
623.68610	0.1
654.72479	0.1
856.00940	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	956.6009
Annotation	Unknow
Peak:m/z	Relative Intensity
76.13939	0.1
77.71227	0.1
78.95900	51.2
80.20084	0.1
96.96958	6.6
137.49544	0.1
150.98021	2.1
152.99588	100.0
153.99968	0.6
171.00652	3.2
180.05653	0.1
200.83336	0.1
281.24805	1.4
317.03610	0.1
410.29984	0.1
435.25198	32.4
436.25500	1.3
605.83618	0.1
609.05627	0.1
859.44293	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6871
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03463	5.8
83.05034	17.7
92.11737	0.4
93.45824	0.1
95.91537	0.1
96.86647	0.1
100.07687	0.5
102.27975	0.1
107.06162	0.6
108.04540	0.8
125.07184	1.3
126.05595	0.5
137.34299	0.1
143.08267	0.7
157.13441	0.2
181.78825	0.1
199.18123	0.3
207.15028	1.7
224.17696	3.3
225.16098	15.4
242.18730	1.0
244.28178	0.1
250.15758	0.1
277.55078	0.1
290.22284	0.2
291.20874	0.1
309.21817	1.4
324.26718	0.5
333.23111	0.9
339.27493	0.2
341.29266	1.6
350.24908	0.2
351.24081	0.3
367.27243	1.7
385.28293	0.5
407.33990	0.7
433.31903	2.2
450.34467	2.5
451.32935	15.6
452.33099	0.2
476.32483	0.3
487.63718	0.2
535.38464	0.2
550.43878	1.1
567.45990	1.7
593.44073	0.7
659.48944	0.7
676.51361	0.7
677.49829	3.8
761.55780	0.1
776.59827	1.4
791.61609	0.5
793.62933	0.2
885.65692	1.7
903.66614	100.0
904.66797	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	966.6607
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	0.5
81.03449	3.1
83.05028	8.3
84.05344	1.0
92.12390	1.0
96.96003	0.6
123.19121	0.6
128.07150	0.6
195.01233	0.5
205.03650	0.5
225.16060	4.9
226.16467	3.4
342.29587	0.6
451.33450	2.0
452.33423	3.0
453.33676	1.0
849.99023	0.6
904.66937	5.5
905.67181	15.9
906.67566	38.0
907.68109	1.2
966.66156	100.0
967.66455	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	967.5645
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03447	0.8
71.01384	27.7
72.99305	2.9
73.02950	5.5
75.00877	0.5
78.95893	0.8
81.03448	1.6
83.01391	4.9
84.55873	0.4
85.02962	6.3
86.00068	0.5
87.00889	6.1
89.02451	28.5
93.03482	0.6
95.01425	2.7
97.02951	4.1
99.00889	1.5
101.02443	26.5
103.04041	0.6
109.83076	0.3
111.04474	0.5
113.02444	13.7
119.03484	8.9
121.02970	0.5
125.02442	8.7
131.03487	2.3
133.05061	1.5
139.03986	0.8
141.01952	0.6
143.03506	4.1
148.08952	0.5
152.99609	0.4
161.04555	8.7
165.11423	0.6
165.12825	12.8
169.05067	0.9
176.12036	0.5
179.05586	4.0
183.24185	0.4
185.04446	0.4
199.06151	0.4
217.11697	0.4
221.06668	2.3
233.22801	0.4
235.08223	10.1
237.73070	0.4
247.20728	6.9
250.11961	0.4
253.09251	3.9
259.20639	0.4
263.07779	1.8
273.18552	3.4
277.21741	81.4
278.22009	3.8
287.07690	2.5
291.19693	37.1
292.20154	1.6
305.08813	3.2
323.09851	1.7
397.13528	100.0
398.14050	4.5
398.18674	0.6
415.14618	35.3
416.15277	1.4
553.50299	0.4
577.94727	0.4
579.38568	0.4
639.83691	0.5
675.40704	9.3
676.38855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5957
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	0.8
71.00984	0.8
71.01380	22.4
72.99310	0.6
73.02946	3.2
75.00860	0.5
81.03442	0.8
83.01396	2.9
85.02948	5.1
87.00867	3.9
89.02441	22.4
92.65245	0.4
95.01379	1.7
97.02938	4.0
99.00859	1.4
101.02435	22.4
111.04512	0.6
113.02454	11.2
115.03995	0.6
119.03491	6.7
125.02444	7.9
127.13229	0.3
131.03506	0.9
133.05067	0.5
139.11163	0.4
143.03453	2.5
145.02960	0.6
146.55763	0.4
149.54543	0.4
161.04518	4.6
167.10924	0.4
169.05016	0.4
177.42865	0.4
179.05637	2.6
179.14413	1.3
185.04535	0.6
195.13927	10.9
205.12349	1.8
211.13370	0.4
217.06985	0.5
221.06703	0.9
221.15576	0.4
223.13422	8.9
228.13593	1.9
231.21043	0.4
235.08246	7.1
245.06697	0.4
253.09230	3.2
256.13193	2.5
263.07773	0.5
265.21729	0.7
275.20212	6.4
279.23306	71.3
280.23712	1.8
287.07724	2.0
293.21262	100.0
294.21570	2.5
305.08908	2.5
313.89236	0.4
327.73373	0.4
379.12598	0.4
385.01331	0.5
397.13547	72.2
398.13968	0.7
413.52612	0.4
415.14621	25.5
591.14526	0.4
677.37830	7.9
734.93951	0.4
807.29517	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.6271
Annotation	Unknow
Peak:m/z	Relative Intensity
67.56271	0.1
78.95899	3.9
85.62540	0.1
85.76551	0.1
91.75459	0.1
140.01176	2.1
143.89371	0.1
152.99626	0.9
154.59019	0.1
196.03770	1.1
214.04926	2.2
259.36087	0.1
281.24866	100.0
282.25241	3.0
306.51965	0.1
473.35913	0.1
478.29449	34.5
479.29764	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5745
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	2.9
73.02962	0.5
85.02934	0.8
89.02430	2.6
101.02418	3.9
111.08150	1.7
113.02430	2.5
119.03490	0.6
120.99370	0.5
125.02422	0.7
125.09756	0.7
127.11251	1.8
151.11308	0.6
153.12865	4.9
155.10826	1.0
161.04532	0.6
164.61565	0.4
165.12834	0.7
167.10835	0.9
179.10809	0.6
179.14551	1.7
181.12308	3.4
197.11874	1.8
199.13408	0.6
202.59544	0.5
207.13985	0.9
215.12885	1.7
227.12921	0.7
235.08290	0.7
247.20694	4.5
253.09341	0.6
263.20169	0.7
265.21646	0.6
273.18582	3.0
277.21716	8.9
281.21231	1.1
291.16318	0.5
291.19687	29.5
309.20740	100.0
310.21082	2.9
368.85590	0.5
389.14761	0.5
397.13596	12.0
415.14606	3.6
562.67896	0.5
617.48444	0.5
675.35999	0.7
726.87109	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.605
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	3.1
73.02934	0.4
82.26185	0.3
83.01368	0.4
85.02941	0.6
87.00878	0.7
89.02444	3.4
89.48241	0.3
95.01399	0.4
97.02945	0.6
97.69002	0.4
101.02435	2.0
108.87617	0.3
113.02451	1.5
119.03518	0.8
119.04951	0.3
125.02412	1.4
125.09711	0.4
125.38493	0.3
127.11310	0.5
129.09254	0.6
142.10081	0.5
153.12839	3.5
161.04541	0.5
169.12334	1.8
170.00499	0.6
179.05554	0.4
181.12341	8.9
181.13814	0.6
183.01204	20.4
197.02815	1.4
197.11748	0.5
199.13440	1.4
213.15002	3.5
225.05898	0.5
228.13672	0.8
235.08212	0.6
253.09164	0.4
265.21631	0.6
267.23212	0.5
269.21207	5.1
279.23318	12.4
287.07434	0.4
293.21280	9.3
311.16895	64.6
311.22324	100.0
312.17352	3.6
312.22687	2.9
397.13519	13.2
399.13690	0.4
415.14569	4.5
677.38147	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	994.6242
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48412	0.1
70.05645	0.1
71.55654	0.2
71.67960	0.2
73.93600	0.2
75.54816	0.2
76.58751	0.2
78.78926	0.2
78.95908	15.8
81.90894	0.2
89.13015	0.2
92.12325	0.2
98.01105	0.2
122.00133	1.0
140.01189	5.5
140.10965	0.2
152.99614	2.4
196.03818	9.1
196.05679	0.4
214.04897	1.4
242.53209	0.2
247.08698	0.2
252.12161	0.2
281.24869	100.0
282.25214	3.6
296.24380	0.2
296.27945	0.2
406.58829	0.2
439.16367	0.2
478.29425	55.3
479.29623	2.3
535.31641	0.2
536.30884	0.3
1000.37964	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.5956
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	13.8
72.99313	0.8
73.02927	2.4
83.01393	1.3
83.77776	0.7
85.02937	3.5
87.00304	0.6
87.00864	3.7
89.02431	14.0
93.79182	0.6
95.01386	0.8
97.02943	3.0
101.02428	11.2
113.02447	6.8
119.03454	3.2
125.02411	5.1
128.29385	0.6
133.05064	0.7
143.03537	1.0
161.04492	4.2
179.05580	1.1
197.52898	0.7
199.92766	0.6
221.06728	0.8
235.08197	3.9
277.21729	100.0
278.22037	1.4
287.07901	1.0
323.10071	0.8
379.12463	7.5
397.13477	23.9
415.14667	3.7
570.55005	0.7
657.33911	1.3
675.35999	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	997.5885
Annotation	Unknow
Peak:m/z	Relative Intensity
73.01277	0.2
78.95471	0.3
78.95900	5.9
81.68945	0.2
91.09393	0.1
96.96932	0.3
124.67036	0.2
152.99588	13.0
161.13252	0.2
171.00645	1.1
227.03322	1.6
245.04305	1.4
255.23320	100.0
256.23611	3.1
358.91330	0.2
483.27344	52.8
484.27374	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	997.6112
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	19.4
83.01400	2.5
85.02894	3.3
89.02446	22.5
101.02415	16.2
106.43528	3.1
111.37212	2.7
113.02440	3.9
115.20166	2.1
118.40568	2.5
119.03509	2.5
125.02399	5.0
151.42641	2.4
161.04504	2.7
184.08443	2.3
208.51817	2.6
219.48714	3.1
277.21725	70.7
279.23285	100.0
296.50659	2.7
357.34900	2.6
379.12311	14.3
397.13538	34.1
415.14526	4.8
415.87958	2.5
675.34802	3.1
844.24097	3.2
END